A0A077ZHU4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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	27	Very low	28.7	Very low	234 Å²	234	110.6 Å²	110.6	100%	1.153	68%	0.68	S	S	*	*				0	86.2	0	-80.7	-172	-179	0	0	104.5
2	D	29.1	Very low	28.4	Very low	145 Å²	145	112.4 Å²	112.4	78%	0.775	67%	0.674	S	S	*	*			trans	-101.2	157.9	-148.8	-55	-20.9	0	0	0	109.8	A4	D2-A4 PolarHBondContact O-N 3.22Å
3	G	28.5	Very low	28.7	Very low	69 Å²	69	107.7 Å²	107.7	71%	0.711	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	20.7	-163.6	0	0	0	0	0	118.9	N5	G3-N5 VanDerWaalsContact C-N 3.31Å
4	A	28.5	Very low	28.8	Very low	69 Å²	69	114.5 Å²	114.5	57%	0.57	67%	0.67	S	S	*	*	H	α-helix	trans	-67.3	-25.9	171.4	0	0	0	0	0	113.3	D2 A6	D2-A4 PolarHBondContact O-N 3.22Å; A4-A6 PolarHBondContact O-N 3.15Å
5	N	29.1	Very low	28.7	Very low	130 Å²	130	114.7 Å²	114.7	70%	0.695	67%	0.667	S	S	*	*	H	α-helix	trans	-75	-21.5	-176.1	-87.4	-0.3	0	0	0	115.1	G3	G3-N5 VanDerWaalsContact C-N 3.31Å
6	A	30	Very low	28.8	Very low	72 Å²	72	118.1 Å²	118.1	60%	0.595	68%	0.675	S	S	*	*	H	α-helix	trans	-73.5	-31.5	178.4	0	0	0	0	0	112.2	A4	A4-A6 PolarHBondContact O-N 3.15Å
7	N	27.3	Very low	29	Very low	119 Å²	119	120 Å²	120	64%	0.636	68%	0.681	S	S	*	*	H	α-helix	trans	-80	-24	179.5	-76.3	-15.1	0	0	0	113.3	V11	N7-V11 WeakPolarHBondContact O-CG2 3.41Å; N7-V11 PolarHBondContact O-N 3.46Å
8	V	25.7	Very low	29	Very low	80 Å²	80	122.8 Å²	122.8	49%	0.485	69%	0.687	S	S	.	*	H	α-helix	trans	-70.2	-36.1	177.7	177.2	0	0	0	0	111.3	H12	V8-H12 PolarHBondContact O-N 3.34Å
9	L	31	Very low	29	Very low	139 Å²	139	121.1 Å²	121.1	73%	0.728	68%	0.684	S	S	*	*	H	α-helix	trans	-71.8	-33.5	178.5	-80.5	160.3	0	0	0	113.1	V11	L9-V11 VanDerWaalsContact C-N 3.35Å
10	A	29.4	Very low	29.1	Very low	73 Å²	73	123.5 Å²	123.5	60%	0.603	70%	0.695	S	S	*	*	H	α-helix	trans	-73	-25.7	178.3	0	0	0	0	0	113.3
11	V	29.8	Very low	29.1	Very low	87 Å²	87	126 Å²	126	53%	0.527	70%	0.702	S	S	.	*	H	α-helix	trans	-85.1	-30.6	178	177.9	0	0	0	0	111.8	N7 L9 R14	N7-V11 WeakPolarHBondContact O-CG2 3.41Å; N7-V11 PolarHBondContact O-N 3.46Å; L9-V11 VanDerWaalsContact C-N 3.35Å; V11-R14 PolarHBondContact O-N 3.46Å
12	H	25.6	Very low	29.2	Very low	132 Å²	132	122.7 Å²	122.7	61%	0.611	69%	0.688	S	S	*	*	H	α-helix	trans	-75.3	-29.9	179.8	-82.4	36.4	0	0	0	114	V8 R14	V8-H12 PolarHBondContact O-N 3.34Å; H12-R14 PolarHBondContact O-N 3.41Å
13	G	31.9	Very low	29.3	Very low	51 Å²	51	121.7 Å²	121.7	53%	0.526	69%	0.692	S	S	.	*	H	α-helix	trans	-70.8	-13	175.6	0	0	0	0	0	114.7
14	R	29.9	Very low	29.4	Very low	203 Å²	203	123.5 Å²	123.5	77%	0.766	69%	0.694	S	S	*	*	H	α-helix	trans	-95.2	-21.3	-174.8	-138	176.2	-175.1	170.1	1.5	113.8	V11 H12	V11-R14 PolarHBondContact O-N 3.46Å; H12-R14 PolarHBondContact O-N 3.41Å
15	N	27.8	Very low	29.6	Very low	117 Å²	117	128.2 Å²	128.2	63%	0.626	71%	0.71	S	S	*	*	H	α-helix	trans	-88.7	-12.2	-179.3	-73.8	-5.6	0	0	0	113.6	I17	N15-I17 VanDerWaalsContact C-N 3.34Å
16	E	29.9	Very low	29.5	Very low	170 Å²	170	131.2 Å²	131.2	79%	0.794	72%	0.717	S	S	*	*	S	Bend	trans	-86	-3.3	176	-72.8	-171.9	166	0	0	113.8
17	I	32.6	Very low	29.4	Very low	150 Å²	150	132.4 Å²	132.4	77%	0.769	72%	0.721	S	S	*	*	S	Bend	trans	-98.9	-3.6	176.4	-57	176.3	0	0	0	111.7	N15	N15-I17 VanDerWaalsContact C-N 3.34Å
18	E	29.1	Very low	29.4	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	73%	0.726	S	S	*	*	S	Bend	trans	-106.5	56.2	173.3	-72.2	-170.8	173.7	0	0	112.2
19	S	29.1	Very low	29.4	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	74%	0.74	S	S	*	*			trans	-156.5	51.9	160.1	69	0	0	0	0	113.2
20	D	30.7	Very low	29.1	Very low	168 Å²	168	138.5 Å²	138.5	90%	0.898	75%	0.745	S	S	*	*			trans	-118.6	83	153.3	-94.9	-24.4	0	0	0	108.9	N22	D20-N22 PolarHBondContact O-N 3.27Å
21	Q	28.3	Very low	29	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	74%	0.74	S	S	*	*			trans	-67	101.4	163.7	-66.7	-177.9	-16	0	0	108.3
22	N	30.9	Very low	29	Very low	164 Å²	164	141 Å²	141	88%	0.877	75%	0.75	S	S	*	*			trans	158.2	87.3	146.2	-83.9	-24.5	0	0	0	111.1	D20	D20-N22 PolarHBondContact O-N 3.27Å
23	S	31.3	Very low	28.8	Very low	123 Å²	123	136.8 Å²	136.8	86%	0.86	74%	0.743	S	S	*	*			trans	-154	128	137.4	66	0	0	0	0	110.2
24	S	29.7	Very low	28.5	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	75%	0.746	S	S	*	*			trans	-76.5	140.8	-175	39.5	0	0	0	0	112.6	K26	S24-K26 PolarHBondContact O-N 3.49Å
25	D	32.3	Very low	28.1	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	74%	0.736	S	S	*	*			trans	39.3	66.1	148.9	-70.2	-26.1	0	0	0	118.8
26	K	26.7	Very low	27.9	Very low	193 Å²	193	139.2 Å²	139.2	84%	0.839	74%	0.74	S	S	*	*			trans	-123.6	97.5	155.3	-77.3	-172.8	177.6	179.1	0	111.9	S24 L28	S24-K26 PolarHBondContact O-N 3.49Å; K26-L28 PolarHBondContact O-N 2.83Å
27	S	28.5	Very low	27.7	Very low	98 Å²	98	137 Å²	137	69%	0.685	73%	0.733	S	S	*	*			trans	22.2	90.6	155.3	63.7	0	0	0	0	117.8	N29	S27-N29 PolarHBondContact O-N 3.26Å; S27-N29 VanDerWaalsContact O-N 3.15Å
28	L	26.5	Very low	27.2	Very low	140 Å²	140	140.1 Å²	140.1	73%	0.733	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-73.8	15.3	164.3	-89.6	159.3	0	0	0	114.2	K26	K26-L28 PolarHBondContact O-N 2.83Å
29	N	26.6	Very low	27.1	Very low	146 Å²	146	137.4 Å²	137.4	78%	0.781	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-87.6	2.6	177.2	-82.4	-9.8	0	0	0	114.6	S27	S27-N29 PolarHBondContact O-N 3.26Å; S27-N29 VanDerWaalsContact O-N 3.15Å
30	E	25.6	Very low	26.8	Very low	179 Å²	179	140 Å²	140	84%	0.836	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-98.5	-3.3	172.2	-71.8	-168.5	164.2	0	0	114.6
31	E	27.1	Very low	26.4	Very low	107 Å²	107	140 Å²	140	50%	0.5	73%	0.732	S	S	.	*			trans	-88.3	3.4	173.9	-79.6	-153.8	123.3	0	0	114.8	G33 R34	E31-G33 PolarHBondContact O-N 3.1Å; E31-R34 IonicContact OE1-CZ 3.57Å; E31-R34 IonicContact OE1-NE 3.74Å; E31-R34 IonicContact OE1-NH2 2.76Å; E31-R34 PolarHBondContact OE1-NH2 3.42Å
32	S	28	Very low	26.2	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	7.1	-177.7	60.7	0	0	0	0	115.5
33	G	23	Very low	25.9	Very low	45 Å²	45	136.4 Å²	136.4	46%	0.464	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.3	177.1	0	0	0	0	0	116.2	E31 N35	E31-G33 PolarHBondContact O-N 3.1Å; G33-N35 VanDerWaalsContact C-N 3.25Å; G33-N35 PolarHBondContact O-N 2.94Å
34	R	24.1	Very low	25.5	Very low	158 Å²	158	134.3 Å²	134.3	60%	0.596	69%	0.691	S	S	*	*			trans	-80.6	70.2	178.5	-61.3	-169.3	-166.1	-162.7	9	111.1	E31 F36	E31-R34 IonicContact OE1-CZ 3.57Å; E31-R34 IonicContact OE1-NE 3.74Å; E31-R34 IonicContact OE1-NH2 2.76Å; E31-R34 PolarHBondContact OE1-NH2 3.42Å; R34-F36 VanDerWaalsContact C-N 3.26Å; R34-F36 HydrophobicContact CB-CD2 4.07Å; R34-F36 HydrophobicContact CB-CE2 3.58Å; R34-F36 HydrophobicContact CB-CZ 4.14Å; R34-F36 HydrophobicContact CG-CE2 4.49Å; R34-F36 WeakPolarHBondContact O-CD2 3.16Å; R34-F36 PolarHBondContact O-N 3Å
35	N	22.5	Very low	25.3	Very low	102 Å²	102	131.1 Å²	131.1	55%	0.545	67%	0.665	S	S	.	*			trans	-70	87.3	163.3	-78.8	-20.7	0	0	0	108.9	G33 L37 Q132	G33-N35 VanDerWaalsContact C-N 3.25Å; G33-N35 PolarHBondContact O-N 2.94Å; N35-L37 PolarHBondContact O-N 2.95Å; N35-Q132 PolarHBondContact ND2-NE2 2.76Å
36	F	24.2	Very low	25.2	Very low	162 Å²	162	125 Å²	125	71%	0.711	64%	0.635	S	S	*	*			trans	-62.5	125.2	169.2	-68.1	-86.7	0	0	0	109.3	R34 R38	R34-F36 VanDerWaalsContact C-N 3.26Å; R34-F36 HydrophobicContact CB-CD2 4.07Å; R34-F36 HydrophobicContact CB-CE2 3.58Å; R34-F36 HydrophobicContact CB-CZ 4.14Å; R34-F36 HydrophobicContact CG-CE2 4.49Å; R34-F36 WeakPolarHBondContact O-CD2 3.16Å; R34-F36 PolarHBondContact O-N 3Å; F36-R38 PolarHBondContact O-N 3.01Å; F36-R38 VanDerWaalsContact O-N 3.1Å
37	L	24	Very low	25.2	Very low	123 Å²	123	121.5 Å²	121.5	64%	0.644	62%	0.622	S	S	*	*			trans	-58.5	114.5	163.7	-74.1	166.2	0	0	0	107.3	N35 Y130	N35-L37 PolarHBondContact O-N 2.95Å; L37-Y130 HydrophobicContact CD2-CD2 4.3Å; L37-Y130 HydrophobicContact CD2-CE2 4.44Å
38	R	22.4	Very low	25.1	Very low	216 Å²	216	121.7 Å²	121.7	82%	0.815	61%	0.614	S	S	*	*			trans	-62.3	128.1	167.3	-70.3	-174.8	-172.7	-177.7	2.7	107.2	F36 L40	F36-R38 PolarHBondContact O-N 3.01Å; F36-R38 VanDerWaalsContact O-N 3.1Å; R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.66Å
39	P	27.4	Very low	25.5	Very low	113 Å²	113	119 Å²	119	73%	0.734	60%	0.601	S	S	*	*			trans	-70.9	88.7	177.6	27	-31.3	0	0	0	109.1
40	L	22.5	Very low	25.8	Very low	145 Å²	145	113.4 Å²	113.4	76%	0.759	57%	0.571	S	S	*	*			trans	-129.5	121.9	169	-97.3	136.9	0	0	0	107.2	R38	R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.66Å
41	Q	22.2	Very low	26	Very low	168 Å²	168	112.8 Å²	112.8	79%	0.785	56%	0.562	S	S	*	*	S	Bend	trans	95.2	16.2	169.5	-53.4	-174	-29.9	0	0	120.8
42	F	25.3	Very low	26.1	Very low	108 Å²	108	116 Å²	116	47%	0.474	57%	0.571	S	S	.	*			trans	-84.3	-6.4	167.2	-133.3	-91.2	0	0	0	114.7	T44 I45	F42-T44 VanDerWaalsContact C-N 3.31Å; F42-T44 PolarHBondContact O-N 3.35Å; F42-I45 HydrophobicContact CD2-CD1 4.32Å; F42-I45 HydrophobicContact CE1-CD1 4.41Å; F42-I45 HydrophobicContact CE2-CD1 4.08Å; F42-I45 HydrophobicContact CZ-CD1 4.13Å
43	Q	23.2	Very low	26.5	Very low	158 Å²	158	114.1 Å²	114.1	74%	0.738	56%	0.555	S	S	*	*	H	α-helix	trans	-70.6	-23.4	-175.4	-140.2	173.1	7.5	0	0	113.6
44	T	23	Very low	26.9	Very low	80 Å²	80	114 Å²	114	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-88.5	-25.9	-171.8	-27.6	0	0	0	0	113.9	F42 L48	F42-T44 VanDerWaalsContact C-N 3.31Å; F42-T44 PolarHBondContact O-N 3.35Å; T44-L48 HydrophobicContact CG2-CD1 3.72Å; T44-L48 HydrophobicContact CG2-CG 4.4Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 PolarHBondContact O-N 3.09Å; T44-L48 VanDerWaalsContact O-N 3.11Å
45	I	26.9	Very low	27.1	Very low	40 Å²	40	113.1 Å²	113.1	21%	0.205	55%	0.547	C	S	.	.	H	α-helix	trans	-72.4	-48.7	-170.6	-58.3	168.7	0	0	0	111.2	F42 Q47 L48 D49 K154	F42-I45 HydrophobicContact CD2-CD1 4.32Å; F42-I45 HydrophobicContact CE1-CD1 4.41Å; F42-I45 HydrophobicContact CE2-CD1 4.08Å; F42-I45 HydrophobicContact CZ-CD1 4.13Å; I45-Q47 VanDerWaalsContact C-N 3.27Å; I45-Q47 PolarHBondContact O-N 2.88Å; I45-L48 PolarHBondContact O-N 3.1Å; I45-D49 WeakPolarHBondContact O-CB 3.32Å; I45-D49 PolarHBondContact O-N 3.19Å; I45-K154 HydrophobicContact CD1-CD 4.41Å
46	C	29.9	Very low	27.5	Very low	40 Å²	40	113.7 Å²	113.7	27%	0.27	55%	0.55	S	S	.	*	H	α-helix	trans	-65.9	-30.5	-179	-64.8	0	0	0	0	112.5	I50 S89	C46-I50 VanDerWaalsContact O-CB 3.31Å; C46-I50 WeakPolarHBondContact O-CB 3.18Å; C46-I50 WeakPolarHBondContact O-CD1 3.27Å; C46-I50 WeakPolarHBondContact O-CG1 3.24Å; C46-I50 PolarHBondContact O-N 3.37Å; C46-I50 VanDerWaalsContact O-N 3.16Å; C46-S89 WeakPolarHBondContact CB-OG 3.24Å; C46-S89 PolarHBondContact SG-OG 2.77Å
47	Q	27.2	Very low	27.8	Very low	119 Å²	119	108.5 Å²	108.5	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-72	-43.2	174.3	-77.1	-173	-19	0	0	112.3	I45 Y51	I45-Q47 VanDerWaalsContact C-N 3.27Å; I45-Q47 PolarHBondContact O-N 2.88Å; Q47-Y51 WeakPolarHBondContact O-CD2 3.48Å; Q47-Y51 PolarHBondContact O-N 2.76Å
48	L	25.9	Very low	28	Very low	101 Å²	101	105.1 Å²	105.1	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-41.4	-179.9	-78.4	165.2	0	0	0	112.4	T44 I45 Y51 Y52	T44-L48 HydrophobicContact CG2-CD1 3.72Å; T44-L48 HydrophobicContact CG2-CG 4.4Å; T44-L48 WeakPolarHBondContact O-CB 3.33Å; T44-L48 PolarHBondContact O-N 3.09Å; T44-L48 VanDerWaalsContact O-N 3.11Å; I45-L48 PolarHBondContact O-N 3.1Å; L48-Y51 PolarHBondContact O-N 3.26Å; L48-Y52 PolarHBondContact O-N 3.3Å; L48-Y52 VanDerWaalsContact O-N 3.14Å
49	D	34	Very low	28.4	Very low	83 Å²	83	97.3 Å²	97.3	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-75.7	-27.8	180	-82.8	-25.8	0	0	0	112.8	I45 T53	I45-D49 WeakPolarHBondContact O-CB 3.32Å; I45-D49 PolarHBondContact O-N 3.19Å; D49-T53 WeakPolarHBondContact O-CA 3.15Å; D49-T53 WeakPolarHBondContact O-CB 3.34Å; D49-T53 PolarHBondContact O-N 3.48Å; D49-T53 PolarHBondContact O-OG1 3.44Å
50	I	34.2	Very low	28.5	Very low	30 Å²	30	95 Å²	95	15%	0.154	49%	0.488	C	S	.	.	H	α-helix	trans	-64	-43.8	172.2	-73.6	167.5	0	0	0	110.1	C46 L54 A85 L86	C46-I50 VanDerWaalsContact O-CB 3.31Å; C46-I50 WeakPolarHBondContact O-CB 3.18Å; C46-I50 WeakPolarHBondContact O-CD1 3.27Å; C46-I50 WeakPolarHBondContact O-CG1 3.24Å; C46-I50 PolarHBondContact O-N 3.37Å; C46-I50 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 3.55Å; I50-L54 HydrophobicContact CG2-CG 4.11Å; I50-L54 WeakPolarHBondContact O-CB 3.06Å; I50-L54 WeakPolarHBondContact O-CG 3.15Å; I50-L54 PolarHBondContact O-N 3.21Å; I50-A85 HydrophobicContact CD1-CB 3.89Å; I50-A85 HydrophobicContact CG1-CB 4.2Å; I50-L86 HydrophobicContact CD1-CD2 4.28Å; I50-L86 HydrophobicContact CD1-CG 4.48Å
51	Y	29.2	Very low	28.8	Very low	165 Å²	165	91.6 Å²	91.6	65%	0.647	47%	0.468	S	S	*	.	H	α-helix	trans	-66.7	-43.4	177.7	-75.5	-67.2	0	0	0	112.4	Q47 L48 L54 M55	Q47-Y51 WeakPolarHBondContact O-CD2 3.48Å; Q47-Y51 PolarHBondContact O-N 2.76Å; L48-Y51 PolarHBondContact O-N 3.26Å; Y51-L54 PolarHBondContact O-N 3.11Å; Y51-M55 WeakPolarHBondContact O-CB 3.32Å; Y51-M55 WeakPolarHBondContact O-CG 3.27Å; Y51-M55 PolarHBondContact O-N 3.35Å
52	Y	30.1	Very low	29	Very low	175 Å²	175	88.5 Å²	88.5	69%	0.686	46%	0.456	S	S	*	.	H	α-helix	trans	-65.6	-43.3	176.7	-99.9	-80.1	0	0	0	112.2	L48 M55 D56	L48-Y52 PolarHBondContact O-N 3.3Å; L48-Y52 VanDerWaalsContact O-N 3.14Å; Y52-M55 PolarHBondContact O-N 3.22Å; Y52-D56 WeakPolarHBondContact O-CB 2.98Å; Y52-D56 PolarHBondContact O-N 2.83Å
53	T	34.5	Very low	29.4	Very low	65 Å²	65	87 Å²	87	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-38.6	177.6	-55.3	0	0	0	0	111.3	D49 D56 C57	D49-T53 WeakPolarHBondContact O-CA 3.15Å; D49-T53 WeakPolarHBondContact O-CB 3.34Å; D49-T53 PolarHBondContact O-N 3.48Å; D49-T53 PolarHBondContact O-OG1 3.44Å; T53-D56 PolarHBondContact O-N 3.37Å; T53-C57 VanDerWaalsContact O-CB 3.32Å; T53-C57 WeakPolarHBondContact O-CB 3.38Å; T53-C57 PolarHBondContact O-N 3.24Å; T53-C57 PolarHBondContact O-SG 3.16Å
54	L	31.4	Very low	29.8	Very low	44 Å²	44	84.6 Å²	84.6	23%	0.23	46%	0.456	C	S	.	.	H	α-helix	trans	-66.2	-40.5	173.3	-75.1	171.7	0	0	0	111.4	I50 Y51 S58 A82	I50-L54 HydrophobicContact CG2-CD1 3.55Å; I50-L54 HydrophobicContact CG2-CG 4.11Å; I50-L54 WeakPolarHBondContact O-CB 3.06Å; I50-L54 WeakPolarHBondContact O-CG 3.15Å; I50-L54 PolarHBondContact O-N 3.21Å; Y51-L54 PolarHBondContact O-N 3.11Å; L54-S58 WeakPolarHBondContact O-CB 3.17Å; L54-S58 PolarHBondContact O-N 2.75Å; L54-S58 PolarHBondContact O-OG 3.02Å; L54-A82 HydrophobicContact CD1-CB 4.34Å
55	M	29.4	Very low	29.9	Very low	138 Å²	138	84.1 Å²	84.1	68%	0.68	45%	0.45	S	S	*	.	H	α-helix	trans	-63.8	-41	174.5	-78.7	-158.7	-176.1	0	0	111.8	Y51 Y52 S58 A59	Y51-M55 WeakPolarHBondContact O-CB 3.32Å; Y51-M55 WeakPolarHBondContact O-CG 3.27Å; Y51-M55 PolarHBondContact O-N 3.35Å; Y52-M55 PolarHBondContact O-N 3.22Å; M55-S58 WeakPolarHBondContact O-CB 3.36Å; M55-S58 PolarHBondContact O-N 2.82Å; M55-S58 VanDerWaalsContact O-N 3.16Å; M55-A59 PolarHBondContact O-N 3.07Å
56	D	31.3	Very low	30	Very low	114 Å²	114	87 Å²	87	61%	0.61	47%	0.471	S	S	*	.	H	α-helix	trans	-72.4	-34.7	-179.7	-146.2	27.2	0	0	0	112.2	Y52 T53 S58 S60	Y52-D56 WeakPolarHBondContact O-CB 2.98Å; Y52-D56 PolarHBondContact O-N 2.83Å; T53-D56 PolarHBondContact O-N 3.37Å; D56-S58 VanDerWaalsContact C-N 3.33Å; D56-S60 WeakPolarHBondContact O-CB 3.43Å; D56-S60 PolarHBondContact O-N 3.46Å; D56-S60 PolarHBondContact O-OG 2.85Å
57	C	29.5	Very low	29.8	Very low	53 Å²	53	94.2 Å²	94.2	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-36.1	167.3	-75.8	0	0	0	0	112.4	T53 F61	T53-C57 VanDerWaalsContact O-CB 3.32Å; T53-C57 WeakPolarHBondContact O-CB 3.38Å; T53-C57 PolarHBondContact O-N 3.24Å; T53-C57 PolarHBondContact O-SG 3.16Å; C57-F61 VanDerWaalsContact O-CB 3.23Å; C57-F61 WeakPolarHBondContact O-CB 3.18Å; C57-F61 PolarHBondContact O-N 2.75Å
58	S	29.6	Very low	29.7	Very low	52 Å²	52	96.5 Å²	96.5	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-45.9	176.8	-53.2	0	0	0	0	111	L54 M55 D56 F61 L62	L54-S58 WeakPolarHBondContact O-CB 3.17Å; L54-S58 PolarHBondContact O-N 2.75Å; L54-S58 PolarHBondContact O-OG 3.02Å; M55-S58 WeakPolarHBondContact O-CB 3.36Å; M55-S58 PolarHBondContact O-N 2.82Å; M55-S58 VanDerWaalsContact O-N 3.16Å; D56-S58 VanDerWaalsContact C-N 3.33Å; S58-F61 PolarHBondContact O-N 3.41Å; S58-L62 WeakPolarHBondContact O-CB 3.46Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.13Å; S58-L62 PolarHBondContact O-N 2.84Å
59	A	29	Very low	29.6	Very low	53 Å²	53	96.7 Å²	96.7	44%	0.438	51%	0.509	S	S	.	.	H	α-helix	trans	-62.4	-43.2	177.2	0	0	0	0	0	111.7	M55 L62 A63	M55-A59 PolarHBondContact O-N 3.07Å; A59-L62 PolarHBondContact O-N 3.36Å; A59-A63 WeakPolarHBondContact O-CB 3.47Å; A59-A63 PolarHBondContact O-N 2.94Å
60	S	29.8	Very low	29.3	Very low	63 Å²	63	100.9 Å²	100.9	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-66.7	-38.2	175.7	-62.5	0	0	0	0	112.6	D56 A63 D64	D56-S60 WeakPolarHBondContact O-CB 3.43Å; D56-S60 PolarHBondContact O-N 3.46Å; D56-S60 PolarHBondContact O-OG 2.85Å; S60-A63 PolarHBondContact O-N 2.97Å; S60-D64 PolarHBondContact O-N 3.22Å; S60-D64 VanDerWaalsContact O-N 3.08Å
61	F	29.3	Very low	28.7	Very low	74 Å²	74	105.2 Å²	105.2	33%	0.325	55%	0.554	S	S	.	*	H	α-helix	trans	-67.5	-39.1	175.7	-179.2	-94.3	0	0	0	112.5	C57 S58 D64 N65 W68	C57-F61 VanDerWaalsContact O-CB 3.23Å; C57-F61 WeakPolarHBondContact O-CB 3.18Å; C57-F61 PolarHBondContact O-N 2.75Å; S58-F61 PolarHBondContact O-N 3.41Å; F61-D64 PolarHBondContact O-N 2.97Å; F61-N65 PolarHBondContact O-N 2.99Å; F61-N65 VanDerWaalsContact O-N 3.11Å; F61-N65 PolarHBondContact O-ND2 2.91Å; F61-W68 HydrophobicContact CE1-CE3 4.14Å; F61-W68 AromaticContact CE1-CZ3 3.96Å; F61-W68 HydrophobicContact CE1-CZ3 3.96Å
62	L	27.2	Very low	28.6	Very low	104 Å²	104	103.7 Å²	103.7	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-67	-37.4	174.3	-72	168.7	0	0	0	111.5	S58 A59 D64 N65	S58-L62 WeakPolarHBondContact O-CB 3.46Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.13Å; S58-L62 PolarHBondContact O-N 2.84Å; A59-L62 PolarHBondContact O-N 3.36Å; L62-D64 VanDerWaalsContact C-N 3.34Å; L62-D64 PolarHBondContact O-N 3.18Å; L62-N65 CarbonylContact O-C 3.53Å; L62-N65 PolarHBondContact O-N 2.74Å
63	A	32.9	Very low	28.3	Very low	76 Å²	76	103.1 Å²	103.1	63%	0.628	57%	0.566	S	S	*	*	H	α-helix	trans	-64.6	-37.4	175.1	0	0	0	0	0	112.5	A59 S60	A59-A63 WeakPolarHBondContact O-CB 3.47Å; A59-A63 PolarHBondContact O-N 2.94Å; S60-A63 PolarHBondContact O-N 2.97Å
64	D	31.1	Very low	28	Very low	107 Å²	107	105.1 Å²	105.1	57%	0.572	58%	0.578	S	S	*	*	H	α-helix	trans	-80.9	-12.6	177.7	-76.3	-18	0	0	0	113.1	S60 F61 L62 K147	S60-D64 PolarHBondContact O-N 3.22Å; S60-D64 VanDerWaalsContact O-N 3.08Å; F61-D64 PolarHBondContact O-N 2.97Å; L62-D64 VanDerWaalsContact C-N 3.34Å; L62-D64 PolarHBondContact O-N 3.18Å; D64-K147 IonicContact OD2-NZ 3.83Å
65	N	25.7	Very low	27.8	Very low	71 Å²	71	104.7 Å²	104.7	38%	0.38	58%	0.577	S	S	.	*			trans	-132.8	71.4	-178.9	-62.8	-86	0	0	0	112.5	F61 L62 F67	F61-N65 PolarHBondContact O-N 2.99Å; F61-N65 VanDerWaalsContact O-N 3.11Å; F61-N65 PolarHBondContact O-ND2 2.91Å; L62-N65 CarbonylContact O-C 3.53Å; L62-N65 PolarHBondContact O-N 2.74Å; N65-F67 PolarHBondContact O-N 3.4Å
66	P	28.5	Very low	27.8	Very low	99 Å²	99	104.9 Å²	104.9	64%	0.643	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-6.4	-172.5	27.1	-35.5	0	0	0	115.4
67	F	26.4	Very low	27.7	Very low	192 Å²	192	105.5 Å²	105.5	84%	0.842	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	16.8	-175.8	-66.1	-73.7	0	0	0	114.6	N65	N65-F67 PolarHBondContact O-N 3.4Å
68	W	24.5	Very low	27.8	Very low	168 Å²	168	103.7 Å²	103.7	64%	0.636	56%	0.562	S	S	*	*	S	Bend	trans	-91.2	115	171.4	-98.3	19.7	0	0	0	110.9	F61	F61-W68 HydrophobicContact CE1-CE3 4.14Å; F61-W68 AromaticContact CE1-CZ3 3.96Å; F61-W68 HydrophobicContact CE1-CZ3 3.96Å
69	P	24.3	Very low	27.7	Very low	104 Å²	104	108.7 Å²	108.7	68%	0.675	58%	0.578	S	S	*	*			trans	-70.1	146	-170.2	28.7	-33.6	0	0	0	111.5	I71	P69-I71 PolarHBondContact O-N 3.45Å
70	D	26.6	Very low	27.8	Very low	171 Å²	171	115.9 Å²	115.9	91%	0.914	59%	0.594	S	S	*	*	S	Bend	trans	-36.4	83.5	-179.7	-65.7	-51.6	0	0	0	115.7
71	I	22.9	Very low	28	Very low	122 Å²	122	114.6 Å²	114.6	63%	0.626	58%	0.583	S	S	*	*			trans	-137.4	118.6	164.9	-49.5	-178.7	0	0	0	109.1	P69 F73	P69-I71 PolarHBondContact O-N 3.45Å; I71-F73 HydrophobicContact CG2-CD2 3.63Å; I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 3.44Å
72	P	27.3	Very low	28.4	Very low	132 Å²	132	112 Å²	112	86%	0.857	58%	0.575	S	S	*	*			trans	-75.1	77.3	174.3	32.4	-33.1	0	0	0	109.5
73	F	23.5	Very low	28.8	Very low	164 Å²	164	110 Å²	110	72%	0.719	57%	0.57	S	S	*	*			trans	-117.2	107.5	168.3	-102.4	-93.4	0	0	0	109.1	I71 P75	I71-F73 HydrophobicContact CG2-CD2 3.63Å; I71-F73 HydrophobicContact CG2-CE2 4.37Å; I71-F73 PolarHBondContact O-N 3.44Å; F73-P75 WeakPolarHBondContact O-CD 3.32Å; F73-P75 VanDerWaalsContact O-N 3.08Å
74	V	27.5	Very low	29	Very low	107 Å²	107	110.2 Å²	110.2	65%	0.648	56%	0.558	S	S	*	*			trans	-51.2	112.3	158	175.2	0	0	0	0	106.4	L76 S78	V74-L76 PolarHBondContact O-N 2.86Å; V74-S78 WeakPolarHBondContact CG1-OG 3.31Å
75	P	27.9	Very low	29.3	Very low	34 Å²	34	106.6 Å²	106.6	22%	0.221	54%	0.543	C	S	.	.			trans	-64.9	132.9	-170.3	-21.8	32.3	0	0	0	110.5	F73 W77 S78	F73-P75 WeakPolarHBondContact O-CD 3.32Å; F73-P75 VanDerWaalsContact O-N 3.08Å; P75-W77 HydrophobicContact CB-CD2 4.15Å; P75-W77 VanDerWaalsContact CB-CE2 3.49Å; P75-W77 HydrophobicContact CB-CG 4.02Å; P75-W77 HydrophobicContact CB-CZ2 4.12Å; P75-W77 HydrophobicContact CG-CZ2 4.01Å; P75-W77 PolarHBondContact O-N 2.78Å; P75-S78 VanDerWaalsContact O-CB 3.28Å; P75-S78 WeakPolarHBondContact O-CB 3.43Å; P75-S78 PolarHBondContact O-N 3.36Å; P75-S78 PolarHBondContact O-OG 3.23Å
76	L	28.6	Very low	29.9	Very low	142 Å²	142	107.2 Å²	107.2	74%	0.743	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-17.4	-178.3	-79	158.1	0	0	0	115.1	V74 S78 F79	V74-L76 PolarHBondContact O-N 2.86Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-F79 WeakPolarHBondContact O-CB 3.42Å; L76-F79 PolarHBondContact O-N 2.76Å
77	W	30	Very low	30.3	Very low	127 Å²	127	107.6 Å²	107.6	48%	0.481	54%	0.542	S	S	.	.	H	α-helix	trans	-71	-25	171.5	54.5	-90.7	0	0	0	113.4	P75 F79 R80 V81	P75-W77 HydrophobicContact CB-CD2 4.15Å; P75-W77 VanDerWaalsContact CB-CE2 3.49Å; P75-W77 HydrophobicContact CB-CG 4.02Å; P75-W77 HydrophobicContact CB-CZ2 4.12Å; P75-W77 HydrophobicContact CG-CZ2 4.01Å; P75-W77 PolarHBondContact O-N 2.78Å; W77-F79 PolarHBondContact O-N 2.79Å; W77-R80 PolarHBondContact O-N 3.16Å; W77-V81 HydrophobicContact CE3-CG2 4.45Å; W77-V81 WeakPolarHBondContact O-CG2 3.24Å; W77-V81 PolarHBondContact O-N 3.49Å; W77-V81 VanDerWaalsContact O-N 3.09Å
78	S	30.6	Very low	30.9	Very low	16 Å²	16	100.5 Å²	100.5	11%	0.112	51%	0.513	C	S	.	.	H	α-helix	trans	-62.4	-26.9	171.3	74.1	0	0	0	0	112	V74 P75 L76 V81 A82	V74-S78 WeakPolarHBondContact CG1-OG 3.31Å; P75-S78 VanDerWaalsContact O-CB 3.28Å; P75-S78 WeakPolarHBondContact O-CB 3.43Å; P75-S78 PolarHBondContact O-N 3.36Å; P75-S78 PolarHBondContact O-OG 3.23Å; L76-S78 VanDerWaalsContact C-N 3.32Å; S78-V81 PolarHBondContact O-N 3.45Å; S78-A82 WeakPolarHBondContact O-CB 3.04Å; S78-A82 PolarHBondContact O-N 2.92Å
79	F	28.4	Very low	31.6	Very low	156 Å²	156	93.6 Å²	93.6	68%	0.684	49%	0.49	S	S	*	.	H	α-helix	trans	-67.4	-39.8	174.3	-111.8	-83.1	0	0	0	112.4	L76 W77 S83	L76-F79 WeakPolarHBondContact O-CB 3.42Å; L76-F79 PolarHBondContact O-N 2.76Å; W77-F79 PolarHBondContact O-N 2.79Å; F79-S83 WeakPolarHBondContact O-CB 3.19Å; F79-S83 PolarHBondContact O-N 3.14Å
80	R	30.3	Very low	32.2	Very low	205 Å²	205	90.8 Å²	90.8	77%	0.774	48%	0.475	S	S	*	.	H	α-helix	trans	-70.9	-38.6	175.7	-72.3	-173.7	178	-179.5	-0	111.4	W77 S83 Q84	W77-R80 PolarHBondContact O-N 3.16Å; R80-S83 PolarHBondContact O-N 3.18Å; R80-Q84 WeakPolarHBondContact O-CG 3.49Å; R80-Q84 PolarHBondContact O-N 2.87Å
81	V	35.5	Very low	32.8	Very low	35 Å²	35	85.7 Å²	85.7	21%	0.212	45%	0.446	C	S	.	.	H	α-helix	trans	-67.3	-40	174.2	178.1	0	0	0	0	111	W77 S78 Q84 A85	W77-V81 HydrophobicContact CE3-CG2 4.45Å; W77-V81 WeakPolarHBondContact O-CG2 3.24Å; W77-V81 PolarHBondContact O-N 3.49Å; W77-V81 VanDerWaalsContact O-N 3.09Å; S78-V81 PolarHBondContact O-N 3.45Å; V81-Q84 PolarHBondContact O-N 3.03Å; V81-A85 WeakPolarHBondContact O-CB 3.48Å; V81-A85 PolarHBondContact O-N 2.89Å
82	A	36.1	Very low	33.4	Very low	20 Å²	20	81 Å²	81	17%	0.165	42%	0.424	C	S	.	.	H	α-helix	trans	-63.5	-41	174.2	0	0	0	0	0	111.3	L54 S78 A85 L86	L54-A82 HydrophobicContact CD1-CB 4.34Å; S78-A82 WeakPolarHBondContact O-CB 3.04Å; S78-A82 PolarHBondContact O-N 2.92Å; A82-A85 PolarHBondContact O-N 2.77Å; A82-L86 VanDerWaalsContact O-CB 3.27Å; A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 WeakPolarHBondContact O-CG 3.26Å; A82-L86 PolarHBondContact O-N 2.73Å
83	S	36.4	Very low	33.9	Very low	62 Å²	62	79.4 Å²	79.4	43%	0.434	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-40	173	177.2	0	0	0	0	112.3	F79 R80 L86 N87	F79-S83 WeakPolarHBondContact O-CB 3.19Å; F79-S83 PolarHBondContact O-N 3.14Å; R80-S83 PolarHBondContact O-N 3.18Å; S83-L86 PolarHBondContact O-N 3.43Å; S83-N87 WeakPolarHBondContact O-CB 3.11Å; S83-N87 PolarHBondContact O-N 3.14Å
84	Q	36.7	Very low	34.4	Very low	80 Å²	80	75.6 Å²	75.6	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-67.3	-41.9	173.9	-75.1	-177.8	-11	0	0	112.2	R80 V81 L86 N87 I88	R80-Q84 WeakPolarHBondContact O-CG 3.49Å; R80-Q84 PolarHBondContact O-N 2.87Å; V81-Q84 PolarHBondContact O-N 3.03Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 3.16Å; Q84-N87 PolarHBondContact O-N 3.41Å; Q84-I88 WeakPolarHBondContact O-CB 3.22Å; Q84-I88 VanDerWaalsContact O-CG1 3.24Å; Q84-I88 WeakPolarHBondContact O-CG1 3.33Å; Q84-I88 PolarHBondContact O-N 3.14Å
85	A	38	Very low	34.7	Very low	31 Å²	31	71.1 Å²	71.1	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-36.8	175.2	0	0	0	0	0	111.7	I50 V81 A82 S89	I50-A85 HydrophobicContact CD1-CB 3.89Å; I50-A85 HydrophobicContact CG1-CB 4.2Å; V81-A85 WeakPolarHBondContact O-CB 3.48Å; V81-A85 PolarHBondContact O-N 2.89Å; A82-A85 PolarHBondContact O-N 2.77Å; A85-S89 WeakPolarHBondContact O-CB 3.08Å; A85-S89 PolarHBondContact O-N 2.86Å
86	L	38.9	Very low	35	Very low	84 Å²	84	72.9 Å²	72.9	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-41	171.7	-75.3	168.8	0	0	0	111.5	I50 A82 S83 Q84 S89 A90	I50-L86 HydrophobicContact CD1-CD2 4.28Å; I50-L86 HydrophobicContact CD1-CG 4.48Å; A82-L86 VanDerWaalsContact O-CB 3.27Å; A82-L86 WeakPolarHBondContact O-CB 3.41Å; A82-L86 WeakPolarHBondContact O-CG 3.26Å; A82-L86 PolarHBondContact O-N 2.73Å; S83-L86 PolarHBondContact O-N 3.43Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 3.16Å; L86-S89 PolarHBondContact O-N 3.03Å; L86-A90 VanDerWaalsContact O-CB 3.24Å; L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 3.18Å
87	N	36.8	Very low	35.1	Very low	107 Å²	107	68.8 Å²	68.8	57%	0.572	35%	0.35	S	S	*	.	H	α-helix	trans	-66.8	-40.4	175.4	-79.3	-16.7	0	0	0	111.9	S83 Q84 A90 H91	S83-N87 WeakPolarHBondContact O-CB 3.11Å; S83-N87 PolarHBondContact O-N 3.14Å; Q84-N87 PolarHBondContact O-N 3.41Å; N87-A90 PolarHBondContact O-N 2.74Å; N87-H91 VanDerWaalsContact O-CB 3.22Å; N87-H91 WeakPolarHBondContact O-CB 3.2Å; N87-H91 PolarHBondContact O-N 2.86Å
88	I	39.2	Very low	35.2	Very low	44 Å²	44	68.7 Å²	68.7	23%	0.226	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-43.7	173.6	-68.8	164.9	0	0	0	109.5	Q84 A90 H91 C92 L113	Q84-I88 WeakPolarHBondContact O-CB 3.22Å; Q84-I88 VanDerWaalsContact O-CG1 3.24Å; Q84-I88 WeakPolarHBondContact O-CG1 3.33Å; Q84-I88 PolarHBondContact O-N 3.14Å; I88-A90 PolarHBondContact O-N 3.25Å; I88-H91 CarbonylContact O-C 3.46Å; I88-H91 PolarHBondContact O-N 2.68Å; I88-C92 WeakPolarHBondContact O-CB 3.44Å; I88-C92 PolarHBondContact O-N 3.42Å; I88-C92 PolarHBondContact O-SG 2.92Å; I88-L113 HydrophobicContact CD1-CD1 4.49Å; I88-L113 HydrophobicContact CD1-CD2 4.07Å
89	S	38.2	Very low	35.1	Very low	23 Å²	23	73.7 Å²	73.7	16%	0.161	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.3	172.7	0	0	0	0	111.9	C46 A85 L86 H91 Y93	C46-S89 WeakPolarHBondContact CB-OG 3.24Å; C46-S89 PolarHBondContact SG-OG 2.77Å; A85-S89 WeakPolarHBondContact O-CB 3.08Å; A85-S89 PolarHBondContact O-N 2.86Å; L86-S89 PolarHBondContact O-N 3.03Å; S89-H91 VanDerWaalsContact C-N 3.34Å; S89-Y93 WeakPolarHBondContact O-CB 3.39Å; S89-Y93 PolarHBondContact O-N 2.85Å
90	A	37.7	Very low	35.2	Very low	44 Å²	44	73.6 Å²	73.6	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-35.1	175.5	0	0	0	0	0	111.8	L86 N87 I88 N94	L86-A90 VanDerWaalsContact O-CB 3.24Å; L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 3.18Å; N87-A90 PolarHBondContact O-N 2.74Å; I88-A90 PolarHBondContact O-N 3.25Å; A90-N94 WeakPolarHBondContact O-CB 3.45Å; A90-N94 PolarHBondContact O-N 3.28Å; A90-N94 PolarHBondContact O-ND2 3.3Å
91	H	38.5	Very low	35.2	Very low	64 Å²	64	66.3 Å²	66.3	30%	0.296	36%	0.364	S	S	.	.	H	α-helix	trans	-70.6	-47.3	174.8	-175.5	73.2	0	0	0	111.5	N87 I88 S89 Y93 N94 V95 F111	N87-H91 VanDerWaalsContact O-CB 3.22Å; N87-H91 WeakPolarHBondContact O-CB 3.2Å; N87-H91 PolarHBondContact O-N 2.86Å; I88-H91 CarbonylContact O-C 3.46Å; I88-H91 PolarHBondContact O-N 2.68Å; S89-H91 VanDerWaalsContact C-N 3.34Å; H91-Y93 VanDerWaalsContact C-N 3.28Å; H91-Y93 PolarHBondContact O-N 2.86Å; H91-N94 PolarHBondContact O-N 2.78Å; H91-V95 WeakPolarHBondContact O-CB 3.28Å; H91-V95 VanDerWaalsContact O-CG2 3.27Å; H91-V95 WeakPolarHBondContact O-CG2 3.12Å; H91-V95 PolarHBondContact O-N 3.35Å; H91-F111 AromaticContact CD2-CE2 3.52Å; H91-F111 AromaticContact CD2-CZ 3.75Å; H91-F111 AromaticContact NE2-CE2 3.87Å; H91-F111 AromaticContact NE2-CZ 3.83Å
92	C	35.9	Very low	34.8	Very low	25 Å²	25	68 Å²	68	17%	0.169	37%	0.374	C	S	.	.	H	α-helix	trans	-56.3	-44.3	170.2	-69	0	0	0	0	110.7	I88 V95 L96 L109	I88-C92 WeakPolarHBondContact O-CB 3.44Å; I88-C92 PolarHBondContact O-N 3.42Å; I88-C92 PolarHBondContact O-SG 2.92Å; C92-V95 PolarHBondContact O-N 3.09Å; C92-L96 HydrophobicContact CB-CD1 4.46Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CD1 3.41Å; C92-L96 WeakPolarHBondContact O-CG 3.48Å; C92-L96 PolarHBondContact O-N 2.93Å; C92-L109 HydrophobicContact CB-CD2 4.5Å; C92-L109 VanDerWaalsContact SG-CD2 3.53Å
93	Y	36.3	Very low	34.4	Very low	97 Å²	97	73.1 Å²	73.1	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-53.7	175.2	-179.4	-95.5	0	0	0	110.4	S89 H91 V95 L96 T97	S89-Y93 WeakPolarHBondContact O-CB 3.39Å; S89-Y93 PolarHBondContact O-N 2.85Å; H91-Y93 VanDerWaalsContact C-N 3.28Å; H91-Y93 PolarHBondContact O-N 2.86Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.46Å; Y93-L96 CarbonylContact O-C 3.59Å; Y93-L96 PolarHBondContact O-N 3.33Å; Y93-L96 VanDerWaalsContact O-N 3.16Å; Y93-T97 HydrophobicContact CD1-CG2 4.1Å; Y93-T97 HydrophobicContact CD2-CG2 3.84Å; Y93-T97 HydrophobicContact CE1-CG2 3.91Å; Y93-T97 HydrophobicContact CE2-CG2 3.63Å; Y93-T97 HydrophobicContact CG-CG2 4.07Å; Y93-T97 WeakPolarHBondContact O-CB 3.11Å; Y93-T97 VanDerWaalsContact O-CG2 3.24Å; Y93-T97 WeakPolarHBondContact O-CG2 3.15Å; Y93-T97 PolarHBondContact O-N 2.83Å; Y93-T97 PolarHBondContact O-OG1 2.89Å
94	N	34.4	Very low	34	Very low	85 Å²	85	73.2 Å²	73.2	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-60	-41.5	179.5	-75.5	-21.2	0	0	0	113	A90 H91 N98	A90-N94 WeakPolarHBondContact O-CB 3.45Å; A90-N94 PolarHBondContact O-N 3.28Å; A90-N94 PolarHBondContact O-ND2 3.3Å; H91-N94 PolarHBondContact O-N 2.78Å; N94-N98 WeakPolarHBondContact O-CB 3.46Å; N94-N98 PolarHBondContact O-N 2.85Å
95	V	33.8	Very low	33.7	Very low	13 Å²	13	71 Å²	71	8%	0.079	39%	0.393	C	S	.	.	H	α-helix	trans	-66.4	-40.9	176.7	172	0	0	0	0	110.8	H91 C92 Y93 V101 N105 L109	H91-V95 WeakPolarHBondContact O-CB 3.28Å; H91-V95 VanDerWaalsContact O-CG2 3.27Å; H91-V95 WeakPolarHBondContact O-CG2 3.12Å; H91-V95 PolarHBondContact O-N 3.35Å; C92-V95 PolarHBondContact O-N 3.09Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.46Å; V95-V101 HydrophobicContact CG1-CG2 3.99Å; V95-N105 HydrophobicContact CG1-CB 4.33Å; V95-L109 HydrophobicContact CG1-CD1 3.99Å
96	L	34	Very low	33.4	Very low	71 Å²	71	71.6 Å²	71.6	37%	0.372	39%	0.392	S	S	.	.	H	α-helix	trans	-78	-25.8	-179.8	-68.6	167.1	0	0	0	113.5	C92 Y93 V101	C92-L96 HydrophobicContact CB-CD1 4.46Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CD1 3.41Å; C92-L96 WeakPolarHBondContact O-CG 3.48Å; C92-L96 PolarHBondContact O-N 2.93Å; Y93-L96 CarbonylContact O-C 3.59Å; Y93-L96 PolarHBondContact O-N 3.33Å; Y93-L96 VanDerWaalsContact O-N 3.16Å; L96-V101 HydrophobicContact CD2-CG2 4.15Å
97	T	32.4	Very low	32.9	Very low	56 Å²	56	71.1 Å²	71.1	34%	0.344	40%	0.395	S	S	.	.	H	α-helix	trans	-94.6	-29.3	-177.8	60.4	0	0	0	0	113.8	Y93	Y93-T97 HydrophobicContact CD1-CG2 4.1Å; Y93-T97 HydrophobicContact CD2-CG2 3.84Å; Y93-T97 HydrophobicContact CE1-CG2 3.91Å; Y93-T97 HydrophobicContact CE2-CG2 3.63Å; Y93-T97 HydrophobicContact CG-CG2 4.07Å; Y93-T97 WeakPolarHBondContact O-CB 3.11Å; Y93-T97 VanDerWaalsContact O-CG2 3.24Å; Y93-T97 WeakPolarHBondContact O-CG2 3.15Å; Y93-T97 PolarHBondContact O-N 2.83Å; Y93-T97 PolarHBondContact O-OG1 2.89Å
98	N	31.2	Very low	32.6	Very low	124 Å²	124	68.8 Å²	68.8	66%	0.663	39%	0.388	S	S	*	.	H	α-helix	trans	-111.8	-19	-169.5	-65.5	-22.4	0	0	0	115.2	N94	N94-N98 WeakPolarHBondContact O-CB 3.46Å; N94-N98 PolarHBondContact O-N 2.85Å
99	E	28	Very low	32.3	Very low	121 Å²	121	68.1 Å²	68.1	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-131.9	146.8	-175.2	-69.9	-173	176.3	0	0	112.6	V101 N105	E99-V101 PolarHBondContact O-N 3.28Å; E99-N105 PolarHBondContact OE2-ND2 3.48Å; E99-N105 VanDerWaalsContact OE2-ND2 3.07Å
100	I	31.5	Very low	31.8	Very low	154 Å²	154	72.5 Å²	72.5	79%	0.79	40%	0.404	S	S	*	.			trans	-59	108.7	163.8	-62.8	170.9	0	0	0	106.1	T102	I100-T102 PolarHBondContact O-N 2.91Å
101	V	30.6	Very low	31.3	Very low	53 Å²	53	75 Å²	75	32%	0.321	41%	0.407	S	S	.	.			trans	-67.4	104.1	-179.1	-176.8	0	0	0	0	109	V95 L96 E99 N105 L106	V95-V101 HydrophobicContact CG1-CG2 3.99Å; L96-V101 HydrophobicContact CD2-CG2 4.15Å; E99-V101 PolarHBondContact O-N 3.28Å; V101-N105 HydrophobicContact CG1-CB 4.35Å; V101-L106 HydrophobicContact CG1-CD1 3.96Å; V101-L106 HydrophobicContact CG1-CG 3.75Å
102	T	26.2	Very low	30.6	Very low	69 Å²	69	77.5 Å²	77.5	42%	0.423	43%	0.428	S	S	.	.			trans	-88.7	164	170.2	66.6	0	0	0	0	110.6	I100 A104 N105 L106	I100-T102 PolarHBondContact O-N 2.91Å; T102-A104 PolarHBondContact O-N 2.81Å; T102-A104 VanDerWaalsContact O-N 3.14Å; T102-N105 CarbonylContact O-C 3.49Å; T102-N105 WeakPolarHBondContact O-CA 3.03Å; T102-N105 WeakPolarHBondContact O-CB 3.47Å; T102-N105 PolarHBondContact O-N 2.63Å; T102-N105 PolarHBondContact OG1-N 2.86Å; T102-L106 PolarHBondContact O-N 2.78Å
103	L	27.8	Very low	30.2	Very low	128 Å²	128	78 Å²	78	67%	0.67	43%	0.429	S	S	*	.	H	α-helix	trans	-57.3	-26.9	175.6	-127.2	132.9	0	0	0	112.7	L106 S107 M202	L103-L106 PolarHBondContact O-N 3.3Å; L103-S107 PolarHBondContact O-N 3.27Å; L103-M202 HydrophobicContact CD1-CE 3.87Å
104	A	28.2	Very low	29.8	Very low	64 Å²	64	76.9 Å²	76.9	53%	0.529	43%	0.434	S	S	.	.	H	α-helix	trans	-72.9	-33.3	172.4	0	0	0	0	0	112.9	T102 L106 S107 S108	T102-A104 PolarHBondContact O-N 2.81Å; T102-A104 VanDerWaalsContact O-N 3.14Å; A104-L106 VanDerWaalsContact C-N 3.28Å; A104-S107 PolarHBondContact O-OG 3.17Å; A104-S108 PolarHBondContact O-N 3.47Å
105	N	30.8	Very low	29.5	Very low	35 Å²	35	77.8 Å²	77.8	19%	0.187	44%	0.444	C	S	.	.	H	α-helix	trans	-73.7	-22.3	171.7	-68.5	5.7	0	0	0	111.8	V95 E99 V101 T102 S108 L109	V95-N105 HydrophobicContact CG1-CB 4.33Å; E99-N105 PolarHBondContact OE2-ND2 3.48Å; E99-N105 VanDerWaalsContact OE2-ND2 3.07Å; V101-N105 HydrophobicContact CG1-CB 4.35Å; T102-N105 CarbonylContact O-C 3.49Å; T102-N105 WeakPolarHBondContact O-CA 3.03Å; T102-N105 WeakPolarHBondContact O-CB 3.47Å; T102-N105 PolarHBondContact O-N 2.63Å; T102-N105 PolarHBondContact OG1-N 2.86Å; N105-S108 PolarHBondContact O-OG 2.93Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å
106	L	31.3	Very low	29.2	Very low	43 Å²	43	89.1 Å²	89.1	23%	0.225	49%	0.486	C	S	.	.	H	α-helix	trans	-81.5	-34.2	172.3	-85.5	156.1	0	0	0	112.8	V101 T102 L103 A104 S108 L109 M110 I124	V101-L106 HydrophobicContact CG1-CD1 3.96Å; V101-L106 HydrophobicContact CG1-CG 3.75Å; T102-L106 PolarHBondContact O-N 2.78Å; L103-L106 PolarHBondContact O-N 3.3Å; A104-L106 VanDerWaalsContact C-N 3.28Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.31Å; L106-L109 HydrophobicContact CD2-CD1 4.22Å; L106-L109 WeakPolarHBondContact O-CB 3.16Å; L106-L109 PolarHBondContact O-N 2.81Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L106-M110 PolarHBondContact O-N 2.86Å; L106-I124 HydrophobicContact CD2-CG2 4.41Å
107	S	28.8	Very low	28.9	Very low	73 Å²	73	87 Å²	87	51%	0.51	48%	0.479	S	S	.	.	H	α-helix	trans	-68.9	-28	174.6	63.4	0	0	0	0	112.2	L103 A104 M110	L103-S107 PolarHBondContact O-N 3.27Å; A104-S107 PolarHBondContact O-OG 3.17Å; S107-M110 WeakPolarHBondContact O-CB 3.48Å; S107-M110 PolarHBondContact O-N 3.09Å
108	S	30.2	Very low	28.6	Very low	59 Å²	59	87 Å²	87	41%	0.413	48%	0.48	S	S	.	.	H	α-helix	trans	-73	-25.1	170	63.5	0	0	0	0	113.5	A104 N105 L106 M110 F111	A104-S108 PolarHBondContact O-N 3.47Å; N105-S108 PolarHBondContact O-OG 2.93Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.31Å; S108-M110 VanDerWaalsContact C-N 3.27Å; S108-F111 WeakPolarHBondContact O-CE2 3.36Å
109	L	32.4	Very low	28.6	Very low	30 Å²	30	82.3 Å²	82.3	16%	0.157	46%	0.461	C	S	.	.	H	α-helix	trans	-75.2	-13.6	170.2	-76.7	165.2	0	0	0	113.3	C92 V95 N105 L106 F111	C92-L109 HydrophobicContact CB-CD2 4.5Å; C92-L109 VanDerWaalsContact SG-CD2 3.53Å; V95-L109 HydrophobicContact CG1-CD1 3.99Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; L106-L109 HydrophobicContact CD2-CD1 4.22Å; L106-L109 WeakPolarHBondContact O-CB 3.16Å; L106-L109 PolarHBondContact O-N 2.81Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L109-F111 PolarHBondContact O-N 3.01Å
110	M	26.9	Very low	28.8	Very low	115 Å²	115	80 Å²	80	57%	0.567	45%	0.45	S	S	*	.			trans	-73.2	69.3	166.3	-61.1	-175.5	62.5	0	0	109.5	L106 S107 S108 P112 V122	L106-M110 PolarHBondContact O-N 2.86Å; S107-M110 WeakPolarHBondContact O-CB 3.48Å; S107-M110 PolarHBondContact O-N 3.09Å; S108-M110 VanDerWaalsContact C-N 3.27Å; M110-P112 WeakPolarHBondContact O-CD 3.28Å; M110-V122 HydrophobicContact CG-CG1 4.5Å
111	F	27.7	Very low	28.9	Very low	97 Å²	97	77 Å²	77	43%	0.425	43%	0.429	S	S	.	.			trans	-67.9	117.1	169.4	-72.2	-86.5	0	0	0	108.7	H91 S108 L109 L113	H91-F111 AromaticContact CD2-CE2 3.52Å; H91-F111 AromaticContact CD2-CZ 3.75Å; H91-F111 AromaticContact NE2-CE2 3.87Å; H91-F111 AromaticContact NE2-CZ 3.83Å; S108-F111 WeakPolarHBondContact O-CE2 3.36Å; L109-F111 PolarHBondContact O-N 3.01Å; F111-L113 PolarHBondContact O-N 3.39Å
112	P	25.2	Very low	28.9	Very low	116 Å²	116	76 Å²	76	75%	0.753	42%	0.423	S	S	*	.			trans	-67.6	94.4	157.6	29.2	-30.7	0	0	0	106.5	M110	M110-P112 WeakPolarHBondContact O-CD 3.28Å
113	L	27.3	Very low	29.4	Very low	34 Å²	34	76 Å²	76	18%	0.178	42%	0.42	C	S	.	.			trans	-55.3	138.1	166.8	-81.3	167.1	0	0	0	108.2	I88 F111 H120	I88-L113 HydrophobicContact CD1-CD1 4.49Å; I88-L113 HydrophobicContact CD1-CD2 4.07Å; F111-L113 PolarHBondContact O-N 3.39Å; L113-H120 PolarHBondContact O-CD2 3.13Å; L113-H120 PolarHBondContact O-NE2 2.98Å
114	P	27.3	Very low	29.7	Very low	74 Å²	74	72.1 Å²	72.1	48%	0.481	40%	0.399	S	S	.	.			trans	-55.6	133.9	-177.5	18.7	-29.2	0	0	0	109.7	R116 A117	P114-R116 PolarHBondContact O-N 3.15Å; P114-A117 PolarHBondContact O-N 2.86Å
115	P	27.9	Very low	30.1	Very low	104 Å²	104	70.8 Å²	70.8	68%	0.675	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-2.7	-159.8	18.1	-31.8	0	0	0	116.5
116	R	27.5	Very low	30.5	Very low	251 Å²	251	72.4 Å²	72.4	95%	0.947	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-10.9	-179.3	-69.3	-172.4	174.9	177.6	-0.9	114.6	P114	P114-R116 PolarHBondContact O-N 3.15Å
117	A	27.2	Very low	30.7	Very low	28 Å²	28	73.7 Å²	73.7	23%	0.231	40%	0.398	C	S	.	.	S	Bend	trans	-96	113.4	170.9	0	0	0	0	0	108	P114	P114-A117 PolarHBondContact O-N 2.86Å
118	C	27.7	Very low	31.1	Very low	55 Å²	55	71 Å²	71	37%	0.372	38%	0.379	S	S	.	.	S	Bend	trans	36.6	104.7	152	-38.9	0	0	0	0	115.9
119	G	30.9	Very low	31.5	Very low	25 Å²	25	75.9 Å²	75.9	26%	0.258	39%	0.389	S	S	.	.	S	Bend	trans	2.7	111.6	175	0	0	0	0	0	117.2	Y121	G119-Y121 WeakPolarHBondContact O-CD2 3.25Å; G119-Y121 WeakPolarHBondContact O-CE2 3.44Å; G119-Y121 PolarHBondContact O-N 2.93Å
120	H	31.1	Very low	31.7	Very low	74 Å²	74	79.6 Å²	79.6	34%	0.343	40%	0.401	S	S	.	.			trans	-43.7	121.8	176.9	-53	103.5	0	0	0	111.9	L113 L144 T145	L113-H120 PolarHBondContact O-CD2 3.13Å; L113-H120 PolarHBondContact O-NE2 2.98Å; H120-L144 CarbonylContact C-O 3.51Å; H120-L144 CarbonylContact O-C 3.59Å; H120-T145 WeakPolarHBondContact O-CA 3.38Å
121	Y	34.3	Very low	32.1	Very low	89 Å²	89	78.4 Å²	78.4	35%	0.349	40%	0.397	S	S	.	.			trans	-101.9	111.4	168.4	-60.5	-84.7	0	0	0	109	G119 V143 L144 T145	G119-Y121 WeakPolarHBondContact O-CD2 3.25Å; G119-Y121 WeakPolarHBondContact O-CE2 3.44Å; G119-Y121 PolarHBondContact O-N 2.93Å; Y121-V143 HydrophobicContact CD1-CG1 3.59Å; Y121-V143 HydrophobicContact CE1-CG1 4.15Å; Y121-L144 VanDerWaalsContact CA-O 3.24Å; Y121-L144 WeakPolarHBondContact CA-O 3.28Å; Y121-T145 HydrophobicContact CD1-CG2 3.64Å; Y121-T145 HydrophobicContact CE1-CG2 3.37Å
122	V	31.2	Very low	32.6	Very low	32 Å²	32	79.9 Å²	79.9	19%	0.194	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.1	160.8	-179.2	0	0	0	0	105.9	M110 I124 H142 V143 L144	M110-V122 HydrophobicContact CG-CG1 4.5Å; V122-I124 HydrophobicContact CG1-CD1 4.47Å; V122-I124 HydrophobicContact CG1-CG1 3.98Å; V122-H142 CarbonylContact C-O 3.46Å; V122-H142 CarbonylContact O-C 3.6Å; V122-V143 WeakPolarHBondContact O-CA 2.98Å; V122-L144 HydrophobicContact CB-CB 4.07Å; V122-L144 HydrophobicContact CB-CD1 3.84Å; V122-L144 HydrophobicContact CB-CG 4.15Å; V122-L144 HydrophobicContact CG1-CD1 4.43Å; V122-L144 HydrophobicContact CG2-CB 4.32Å; V122-L144 HydrophobicContact CG2-CD1 3.9Å; V122-L144 PolarHBondContact O-N 3.31Å; V122-L144 VanDerWaalsContact O-N 3.15Å
123	I	35.2	Very low	33.4	Very low	69 Å²	69	82 Å²	82	35%	0.354	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	102.9	178.7	-64.4	178.2	0	0	0	107.3	V125 I141 H142	I123-V125 HydrophobicContact CG2-CG2 3.93Å; I123-I141 HydrophobicContact CB-CG2 4.4Å; I123-I141 HydrophobicContact CG2-CG2 3.5Å; I123-H142 CarbonylContact C-O 3.47Å; I123-H142 WeakPolarHBondContact CA-O 3.35Å
124	I	35.1	Very low	34	Very low	47 Å²	47	86.8 Å²	86.8	24%	0.241	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.1	172.1	-49.9	-179.9	0	0	0	107.8	L106 V122 Y126 I141 H142	L106-I124 HydrophobicContact CD2-CG2 4.41Å; V122-I124 HydrophobicContact CG1-CD1 4.47Å; V122-I124 HydrophobicContact CG1-CG1 3.98Å; I124-Y126 HydrophobicContact CB-CE2 4.23Å; I124-Y126 HydrophobicContact CG2-CD2 4.22Å; I124-Y126 HydrophobicContact CG2-CE2 3.62Å; I124-I141 CarbonylContact O-C 3.55Å; I124-I141 VanDerWaalsContact O-CA 3.28Å; I124-I141 WeakPolarHBondContact O-CA 3.49Å; I124-H142 HydrophobicContact CB-CB 3.84Å; I124-H142 HydrophobicContact CD1-CB 4.45Å; I124-H142 HydrophobicContact CG1-CB 4.17Å; I124-H142 PolarHBondContact N-O 3.41Å; I124-H142 VanDerWaalsContact N-O 3.09Å; I124-H142 PolarHBondContact O-N 3.04Å
125	V	36.4	Very low	34.3	Very low	36 Å²	36	86.3 Å²	86.3	22%	0.218	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.7	178.8	-172.4	0	0	0	0	109.8	I123 V127 V140 I141	I123-V125 HydrophobicContact CG2-CG2 3.93Å; V125-V127 HydrophobicContact CG1-CG2 3.91Å; V125-V140 CarbonylContact C-O 3.52Å; V125-V140 VanDerWaalsContact CA-O 3.25Å; V125-V140 WeakPolarHBondContact CA-O 3.29Å; V125-I141 HydrophobicContact CG2-CG1 4.42Å
126	Y	38.7	Very low	35	Very low	70 Å²	70	85 Å²	85	28%	0.275	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	166.6	-57.5	-95	0	0	0	108.5	I124 S139 V140 L204	I124-Y126 HydrophobicContact CB-CE2 4.23Å; I124-Y126 HydrophobicContact CG2-CD2 4.22Å; I124-Y126 HydrophobicContact CG2-CE2 3.62Å; Y126-S139 CarbonylContact O-C 3.56Å; Y126-S139 VanDerWaalsContact O-CA 3.26Å; Y126-S139 WeakPolarHBondContact O-CA 3.12Å; Y126-V140 HydrophobicContact CD2-CB 3.93Å; Y126-V140 HydrophobicContact CD2-CG1 4.23Å; Y126-V140 HydrophobicContact CG-CB 4.41Å; Y126-V140 PolarHBondContact N-O 3.25Å; Y126-V140 PolarHBondContact O-N 2.85Å; Y126-L204 HydrophobicContact CD1-CD1 4.2Å; Y126-L204 HydrophobicContact CD1-CG 4.35Å; Y126-L204 HydrophobicContact CD2-CD1 4.24Å; Y126-L204 HydrophobicContact CG-CD1 3.79Å; Y126-L204 HydrophobicContact CG-CG 4.33Å
127	V	36.7	Very low	35.7	Very low	70 Å²	70	75.5 Å²	75.5	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125	176.1	-174.1	0	0	0	0	109.1	V125 L138 T203	V125-V127 HydrophobicContact CG1-CG2 3.91Å; V127-L138 CarbonylContact C-O 3.59Å; V127-L138 WeakPolarHBondContact CA-O 3.34Å; V127-T203 WeakPolarHBondContact O-CG2 3.3Å
128	S	37.3	Very low	36.4	Very low	16 Å²	16	74.6 Å²	74.6	11%	0.112	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-88.7	143.3	169.4	-168.2	0	0	0	0	111.2	L138 L204	S128-L138 VanDerWaalsContact CB-CB 3.49Å; S128-L138 PolarHBondContact N-O 3.08Å; S128-L204 WeakPolarHBondContact CB-O 3.48Å; S128-L204 PolarHBondContact OG-O 3.38Å
129	R	38.3	Very low	37.2	Very low	162 Å²	162	73 Å²	73	61%	0.611	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-84.4	137.6	-175.4	-166.4	179.9	-179.7	-165.4	-2	110.9	D131 R201	R129-D131 PolarHBondContact O-N 2.9Å; R129-R201 VanDerWaalsContact NH1-NH1 3.2Å
130	Y	35	Very low	37.7	Very low	107 Å²	107	71.8 Å²	71.8	42%	0.42	35%	0.346	S	S	.	.			trans	-52.7	115	167.2	-156	-92.8	0	0	0	111.4	L37 P135	L37-Y130 HydrophobicContact CD2-CD2 4.3Å; L37-Y130 HydrophobicContact CD2-CE2 4.44Å; Y130-P135 HydrophobicContact CE2-CB 4.36Å
131	D	36.8	Very low	38.4	Very low	91 Å²	91	70.9 Å²	70.9	49%	0.487	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-93.5	137.1	157.8	-167.9	-18.7	0	0	0	107.5	R129 H133 E134	R129-D131 PolarHBondContact O-N 2.9Å; D131-H133 PolarHBondContact O-N 3.43Å; D131-H133 VanDerWaalsContact O-N 3.1Å; D131-H133 IonicContact OD1-CD2 2.83Å; D131-H133 PolarHBondContact OD1-N 2.74Å; D131-E134 CarbonylContact O-C 3.29Å; D131-E134 VanDerWaalsContact O-C 3.29Å; D131-E134 PolarHBondContact O-N 2.92Å; D131-E134 VanDerWaalsContact O-N 3.09Å; D131-E134 VanDerWaalsContact O-O 3.06Å
132	Q	37.5	Very low	38.7	Very low	127 Å²	127	67.9 Å²	67.9	59%	0.593	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.7	176.2	-67.3	-176.2	-0.2	0	0	112.2	N35	N35-Q132 PolarHBondContact ND2-NE2 2.76Å
133	H	41.3	Very low	39.2	Very low	162 Å²	162	68 Å²	68	75%	0.75	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-18.2	176.5	-63.4	-58.1	0	0	0	114.5	D131	D131-H133 PolarHBondContact O-N 3.43Å; D131-H133 VanDerWaalsContact O-N 3.1Å; D131-H133 IonicContact OD1-CD2 2.83Å; D131-H133 PolarHBondContact OD1-N 2.74Å
134	E	39.7	Very low	39.3	Very low	133 Å²	133	67.4 Å²	67.4	62%	0.621	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-139.7	100	175.9	-71.3	-166.6	163.3	0	0	111	D131 Y136	D131-E134 CarbonylContact O-C 3.29Å; D131-E134 VanDerWaalsContact O-C 3.29Å; D131-E134 PolarHBondContact O-N 2.92Å; D131-E134 VanDerWaalsContact O-N 3.09Å; D131-E134 VanDerWaalsContact O-O 3.06Å; E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.31Å
135	P	34.8	Very low	39.6	Very low	64 Å²	64	67.1 Å²	67.1	42%	0.416	33%	0.331	S	S	.	.			trans	-82.2	40.2	-159.5	33.7	-38.6	0	0	0	115.8	Y130	Y130-P135 HydrophobicContact CE2-CB 4.36Å
136	Y	41.6	Very low	39.7	Very low	78 Å²	78	73.1 Å²	73.1	31%	0.306	35%	0.354	S	S	.	.			trans	-125	122.4	-173.7	-55.3	-78.8	0	0	0	113.9	E134 P158	E134-Y136 VanDerWaalsContact C-N 3.29Å; E134-Y136 PolarHBondContact O-N 3.31Å; Y136-P158 VanDerWaalsContact CE2-CD 3.5Å; Y136-P158 HydrophobicContact CE2-CG 4.01Å; Y136-P158 WeakPolarHBondContact OH-CB 3.35Å
137	S	42.1	Very low	39.7	Very low	50 Å²	50	78.3 Å²	78.3	35%	0.35	38%	0.378	S	S	.	.			trans	-84	107.9	166.3	62	0	0	0	0	109.4	S139	S137-S139 PolarHBondContact O-N 2.79Å
138	L	42.7	Very low	39.8	Very low	9 Å²	9	79.5 Å²	79.5	5%	0.047	38%	0.381	C	S	.	.			trans	-70.4	121.6	166.9	-164.1	95	0	0	0	108.5	V127 S128 V140 I153 L156 F196 L204	V127-L138 CarbonylContact C-O 3.59Å; V127-L138 WeakPolarHBondContact CA-O 3.34Å; S128-L138 VanDerWaalsContact CB-CB 3.49Å; S128-L138 PolarHBondContact N-O 3.08Å; L138-V140 HydrophobicContact CD2-CG2 3.48Å; L138-V140 VanDerWaalsContact CD2-CG2 3.48Å; L138-V140 HydrophobicContact CG-CG2 4.14Å; L138-I153 HydrophobicContact CD1-CG2 3.36Å; L138-I153 HydrophobicContact CG-CG2 3.89Å; L138-L156 HydrophobicContact CD1-CD2 4.29Å; L138-F196 HydrophobicContact CD1-CE1 3.63Å; L138-F196 HydrophobicContact CD1-CZ 4.21Å; L138-F196 HydrophobicContact CD2-CD1 3.51Å; L138-F196 HydrophobicContact CD2-CE1 3.29Å; L138-F196 HydrophobicContact CD2-CG 4.47Å; L138-F196 HydrophobicContact CD2-CZ 4.1Å; L138-F196 HydrophobicContact CG-CE1 4.11Å; L138-L204 HydrophobicContact CD2-CB 3.9Å
139	S	44.5	Very low	40	Very low	22 Å²	22	81.4 Å²	81.4	15%	0.154	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.5	166.3	-64.3	0	0	0	0	108.6	Y126 S137 I153 K154	Y126-S139 CarbonylContact O-C 3.56Å; Y126-S139 VanDerWaalsContact O-CA 3.26Å; Y126-S139 WeakPolarHBondContact O-CA 3.12Å; S137-S139 PolarHBondContact O-N 2.79Å; S139-I153 WeakPolarHBondContact O-CA 3.07Å; S139-K154 PolarHBondContact N-O 2.9Å; S139-K154 PolarHBondContact O-N 2.93Å; S139-K154 VanDerWaalsContact O-N 3.14Å
140	V	42.5	Very low	40.3	Very low	0 Å²	0	74 Å²	74	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.1	172.9	-173.6	0	0	0	0	108.5	V125 Y126 L138 F151 V152 I153 F178 L180 L204	V125-V140 CarbonylContact C-O 3.52Å; V125-V140 VanDerWaalsContact CA-O 3.25Å; V125-V140 WeakPolarHBondContact CA-O 3.29Å; Y126-V140 HydrophobicContact CD2-CB 3.93Å; Y126-V140 HydrophobicContact CD2-CG1 4.23Å; Y126-V140 HydrophobicContact CG-CB 4.41Å; Y126-V140 PolarHBondContact N-O 3.25Å; Y126-V140 PolarHBondContact O-N 2.85Å; L138-V140 HydrophobicContact CD2-CG2 3.48Å; L138-V140 VanDerWaalsContact CD2-CG2 3.48Å; L138-V140 HydrophobicContact CG-CG2 4.14Å; V140-F151 HydrophobicContact CG1-CB 3.97Å; V140-F151 HydrophobicContact CG1-CD1 3.87Å; V140-F151 HydrophobicContact CG1-CG 4.4Å; V140-V152 CarbonylContact C-O 3.53Å; V140-V152 VanDerWaalsContact CA-O 3.29Å; V140-V152 WeakPolarHBondContact CA-O 3.24Å; V140-I153 HydrophobicContact CG2-CG1 4.2Å; V140-F178 HydrophobicContact CG1-CE1 4.47Å; V140-L180 HydrophobicContact CG1-CD1 4.18Å; V140-L204 HydrophobicContact CB-CD1 4.06Å; V140-L204 HydrophobicContact CG2-CD1 3.48Å; V140-L204 VanDerWaalsContact CG2-CD1 3.48Å
141	I	45.6	Very low	41	Very low	55 Å²	55	69.5 Å²	69.5	28%	0.282	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.2	177.3	-53	173.1	0	0	0	108.4	I123 I124 V125 V143 F151 V152	I123-I141 HydrophobicContact CB-CG2 4.4Å; I123-I141 HydrophobicContact CG2-CG2 3.5Å; I124-I141 CarbonylContact O-C 3.55Å; I124-I141 VanDerWaalsContact O-CA 3.28Å; I124-I141 WeakPolarHBondContact O-CA 3.49Å; V125-I141 HydrophobicContact CG2-CG1 4.42Å; I141-V143 HydrophobicContact CG2-CG2 3.93Å; I141-V143 PolarHBondContact O-N 2.63Å; I141-F151 CarbonylContact O-C 3.51Å; I141-F151 VanDerWaalsContact O-CA 3.28Å; I141-F151 WeakPolarHBondContact O-CA 3.21Å; I141-V152 HydrophobicContact CB-CB 4.14Å; I141-V152 PolarHBondContact N-O 2.82Å; I141-V152 PolarHBondContact O-N 3.29Å
142	H	38.9	Very low	41.5	Very low	26 Å²	26	66.6 Å²	66.6	12%	0.12	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121	169.4	-175.2	-165.6	0	0	0	108.6	V122 I123 I124 L144 T149 C150 F151	V122-H142 CarbonylContact C-O 3.46Å; V122-H142 CarbonylContact O-C 3.6Å; I123-H142 CarbonylContact C-O 3.47Å; I123-H142 WeakPolarHBondContact CA-O 3.35Å; I124-H142 HydrophobicContact CB-CB 3.84Å; I124-H142 HydrophobicContact CD1-CB 4.45Å; I124-H142 HydrophobicContact CG1-CB 4.17Å; I124-H142 PolarHBondContact N-O 3.41Å; I124-H142 VanDerWaalsContact N-O 3.09Å; I124-H142 PolarHBondContact O-N 3.04Å; H142-L144 VanDerWaalsContact NE2-CD2 3.25Å; H142-L144 WeakPolarHBondContact NE2-CD2 3.1Å; H142-T149 WeakPolarHBondContact NE2-CG2 3.41Å; H142-C150 CarbonylContact C-O 3.5Å; H142-F151 HydrophobicContact CB-CD1 3.8Å; H142-F151 HydrophobicContact CB-CE1 3.63Å; H142-F151 HydrophobicContact CB-CZ 4.44Å; H142-F151 AromaticContact CD2-CE1 3.55Å; H142-F151 AromaticContact CD2-CE2 3.89Å; H142-F151 AromaticContact CD2-CZ 3.46Å; H142-F151 VanDerWaalsContact CD2-CZ 3.46Å; H142-F151 WeakPolarHBondContact CD2-CZ 3.04Å; H142-F151 AromaticContact CE1-CZ 3.95Å; H142-F151 AromaticContact CG-CE1 3.44Å; H142-F151 VanDerWaalsContact CG-CE1 3.44Å; H142-F151 AromaticContact CG-CZ 3.78Å; H142-F151 AromaticContact ND1-CE1 3.92Å; H142-F151 AromaticContact NE2-CZ 3.59Å
143	V	42.7	Very low	42	Very low	34 Å²	34	60.7 Å²	60.7	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.2	177.2	-174.6	0	0	0	0	107.8	Y121 V122 I141 T145 T149 C150 V152	Y121-V143 HydrophobicContact CD1-CG1 3.59Å; Y121-V143 HydrophobicContact CE1-CG1 4.15Å; V122-V143 WeakPolarHBondContact O-CA 2.98Å; I141-V143 HydrophobicContact CG2-CG2 3.93Å; I141-V143 PolarHBondContact O-N 2.63Å; V143-T145 HydrophobicContact CG1-CG2 4.16Å; V143-T149 WeakPolarHBondContact O-CA 3.44Å; V143-C150 PolarHBondContact N-O 2.9Å; V143-C150 PolarHBondContact O-N 2.91Å; V143-V152 HydrophobicContact CG2-CG2 4.43Å
144	L	36.1	Very low	42.2	Very low	57 Å²	57	58.4 Å²	58.4	30%	0.298	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139	168.2	-68.2	177.3	0	0	0	109.3	H120 Y121 V122 H142 T149	H120-L144 CarbonylContact C-O 3.51Å; H120-L144 CarbonylContact O-C 3.59Å; Y121-L144 VanDerWaalsContact CA-O 3.24Å; Y121-L144 WeakPolarHBondContact CA-O 3.28Å; V122-L144 HydrophobicContact CB-CB 4.07Å; V122-L144 HydrophobicContact CB-CD1 3.84Å; V122-L144 HydrophobicContact CB-CG 4.15Å; V122-L144 HydrophobicContact CG1-CD1 4.43Å; V122-L144 HydrophobicContact CG2-CB 4.32Å; V122-L144 HydrophobicContact CG2-CD1 3.9Å; V122-L144 PolarHBondContact O-N 3.31Å; V122-L144 VanDerWaalsContact O-N 3.15Å; H142-L144 VanDerWaalsContact NE2-CD2 3.25Å; H142-L144 WeakPolarHBondContact NE2-CD2 3.1Å; L144-T149 HydrophobicContact CD2-CG2 3.86Å; L144-T149 WeakPolarHBondContact CD2-OG1 3.33Å
145	T	43	Very low	42.6	Very low	41 Å²	41	53.4 Å²	53.4	25%	0.252	28%	0.277	S	S	.	.			trans	-136.5	169.2	167.2	72.9	0	0	0	0	108.9	H120 Y121 V143 K147 L148	H120-T145 WeakPolarHBondContact O-CA 3.38Å; Y121-T145 HydrophobicContact CD1-CG2 3.64Å; Y121-T145 HydrophobicContact CE1-CG2 3.37Å; V143-T145 HydrophobicContact CG1-CG2 4.16Å; T145-K147 PolarHBondContact O-N 3.02Å; T145-K147 VanDerWaalsContact O-N 3.09Å; T145-K147 PolarHBondContact OG1-N 2.88Å; T145-L148 WeakPolarHBondContact CB-O 3.26Å; T145-L148 PolarHBondContact N-O 2.94Å; T145-L148 WeakPolarHBondContact OG1-CA 3.43Å; T145-L148 WeakPolarHBondContact OG1-CB 3.36Å; T145-L148 PolarHBondContact OG1-N 2.72Å; T145-L148 PolarHBondContact OG1-O 2.95Å
146	K	37.2	Very low	43.1	Very low	161 Å²	161	51 Å²	51	70%	0.7	26%	0.261	S	S	*	.	S	Bend	trans	-56.7	-24.7	174.1	-78.7	-171.2	178.4	-179.9	0	113.7
147	K	40.2	Very low	43.3	Very low	180 Å²	180	49.2 Å²	49.2	78%	0.783	26%	0.259	S	S	*	.	S	Bend	trans	-117.3	-19.6	-173.2	-67.1	-173.7	179.8	177.9	0	114	D64 T145	D64-K147 IonicContact OD2-NZ 3.83Å; T145-K147 PolarHBondContact O-N 3.02Å; T145-K147 VanDerWaalsContact O-N 3.09Å; T145-K147 PolarHBondContact OG1-N 2.88Å
148	L	37.8	Very low	43.3	Very low	94 Å²	94	49.8 Å²	49.8	49%	0.492	26%	0.261	S	S	.	.			trans	-147.2	134.7	-167.6	-177.6	69.4	0	0	0	111.2	T145 C150	T145-L148 WeakPolarHBondContact CB-O 3.26Å; T145-L148 PolarHBondContact N-O 2.94Å; T145-L148 WeakPolarHBondContact OG1-CA 3.43Å; T145-L148 WeakPolarHBondContact OG1-CB 3.36Å; T145-L148 PolarHBondContact OG1-N 2.72Å; T145-L148 PolarHBondContact OG1-O 2.95Å; L148-C150 HydrophobicContact CD2-CB 4.43Å; L148-C150 HydrophobicContact CG-CB 4.49Å
149	T	42	Very low	43.1	Very low	56 Å²	56	58.3 Å²	58.3	34%	0.344	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	161.5	-62.9	0	0	0	0	107.6	H142 V143 L144 F151 P169	H142-T149 WeakPolarHBondContact NE2-CG2 3.41Å; V143-T149 WeakPolarHBondContact O-CA 3.44Å; L144-T149 HydrophobicContact CD2-CG2 3.86Å; L144-T149 WeakPolarHBondContact CD2-OG1 3.33Å; T149-F151 HydrophobicContact CG2-CE2 4.04Å; T149-P169 CarbonylContact O-C 3.51Å; T149-P169 WeakPolarHBondContact O-CA 3.44Å
150	C	44.8	Very low	42.9	Very low	6 Å²	6	61.6 Å²	61.6	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.5	171.8	171	0	0	0	0	111.5	H142 V143 L148 C167 Y168	H142-C150 CarbonylContact C-O 3.5Å; V143-C150 PolarHBondContact N-O 2.9Å; V143-C150 PolarHBondContact O-N 2.91Å; L148-C150 HydrophobicContact CD2-CB 4.43Å; L148-C150 HydrophobicContact CG-CB 4.49Å; C150-C167 WeakPolarHBondContact CB-SG 3.36Å; C150-C167 WeakPolarHBondContact SG-CA 3.28Å; C150-C167 WeakPolarHBondContact SG-CB 3.49Å; C150-C167 CovalentContact SG-SG 2.03Å; C150-C167 PolarHBondContact SG-SG 2.73Å; C150-Y168 CarbonylContact C-O 3.59Å; C150-Y168 VanDerWaalsContact CA-O 3.3Å; C150-Y168 WeakPolarHBondContact CA-O 3.32Å; C150-Y168 PolarHBondContact SG-N 3.42Å; C150-Y168 VanDerWaalsContact SG-N 3.39Å
151	F	48.7	Very low	42.4	Very low	14 Å²	14	68.1 Å²	68.1	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.2	169.1	-60.7	-97.5	0	0	0	109.2	V140 I141 H142 T149 C167 Y168 A171 F178 L180	V140-F151 HydrophobicContact CG1-CB 3.97Å; V140-F151 HydrophobicContact CG1-CD1 3.87Å; V140-F151 HydrophobicContact CG1-CG 4.4Å; I141-F151 CarbonylContact O-C 3.51Å; I141-F151 VanDerWaalsContact O-CA 3.28Å; I141-F151 WeakPolarHBondContact O-CA 3.21Å; H142-F151 HydrophobicContact CB-CD1 3.8Å; H142-F151 HydrophobicContact CB-CE1 3.63Å; H142-F151 HydrophobicContact CB-CZ 4.44Å; H142-F151 AromaticContact CD2-CE1 3.55Å; H142-F151 AromaticContact CD2-CE2 3.89Å; H142-F151 AromaticContact CD2-CZ 3.46Å; H142-F151 VanDerWaalsContact CD2-CZ 3.46Å; H142-F151 WeakPolarHBondContact CD2-CZ 3.04Å; H142-F151 AromaticContact CE1-CZ 3.95Å; H142-F151 AromaticContact CG-CE1 3.44Å; H142-F151 VanDerWaalsContact CG-CE1 3.44Å; H142-F151 AromaticContact CG-CZ 3.78Å; H142-F151 AromaticContact ND1-CE1 3.92Å; H142-F151 AromaticContact NE2-CZ 3.59Å; T149-F151 HydrophobicContact CG2-CE2 4.04Å; F151-C167 CarbonylContact O-C 3.45Å; F151-C167 WeakPolarHBondContact O-CA 3.46Å; F151-Y168 PolarHBondContact N-O 3.16Å; F151-Y168 WeakPolarHBondContact O-CD2 3.37Å; F151-Y168 PolarHBondContact O-N 3.47Å; F151-A171 HydrophobicContact CD2-CB 3.69Å; F151-A171 HydrophobicContact CE1-CB 4.43Å; F151-A171 HydrophobicContact CE2-CB 3.22Å; F151-A171 HydrophobicContact CG-CB 4.48Å; F151-A171 HydrophobicContact CZ-CB 3.64Å; F151-F178 HydrophobicContact CD1-CE1 4.45Å; F151-F178 AromaticContact CD1-CZ 3.82Å; F151-F178 HydrophobicContact CD1-CZ 3.82Å; F151-F178 HydrophobicContact CE1-CE2 4.33Å; F151-F178 AromaticContact CE1-CZ 3.64Å; F151-F178 HydrophobicContact CE1-CZ 3.64Å; F151-F178 HydrophobicContact CG-CZ 4.46Å; F151-F178 HydrophobicContact CZ-CZ 4.16Å; F151-L180 HydrophobicContact CB-CD1 4.19Å; F151-L180 HydrophobicContact CB-CD2 3.52Å; F151-L180 HydrophobicContact CD1-CD2 4.07Å; F151-L180 HydrophobicContact CD2-CD2 3.71Å; F151-L180 HydrophobicContact CE2-CD2 4.48Å; F151-L180 HydrophobicContact CG-CD2 3.48Å; F151-L180 VanDerWaalsContact CG-CD2 3.48Å
152	V	46.9	Very low	41.8	Very low	30 Å²	30	73.5 Å²	73.5	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.5	178.1	-179.7	0	0	0	0	109.8	V140 I141 V143 A165 I166	V140-V152 CarbonylContact C-O 3.53Å; V140-V152 VanDerWaalsContact CA-O 3.29Å; V140-V152 WeakPolarHBondContact CA-O 3.24Å; I141-V152 HydrophobicContact CB-CB 4.14Å; I141-V152 PolarHBondContact N-O 2.82Å; I141-V152 PolarHBondContact O-N 3.29Å; V143-V152 HydrophobicContact CG2-CG2 4.43Å; V152-A165 HydrophobicContact CG1-CB 3.46Å; V152-A165 VanDerWaalsContact CG1-CB 3.46Å; V152-I166 CarbonylContact C-O 3.55Å; V152-I166 VanDerWaalsContact CA-O 3.28Å; V152-I166 WeakPolarHBondContact CA-O 3.1Å
153	I	48.5	Very low	41.8	Very low	2 Å²	2	74.6 Å²	74.6	1%	0.01	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.2	173.1	-57	-178.4	0	0	0	110.3	L138 S139 V140 L156 I166 Y168 L180 F196	L138-I153 HydrophobicContact CD1-CG2 3.36Å; L138-I153 HydrophobicContact CG-CG2 3.89Å; S139-I153 WeakPolarHBondContact O-CA 3.07Å; V140-I153 HydrophobicContact CG2-CG1 4.2Å; I153-L156 HydrophobicContact CG2-CD2 4.11Å; I153-L156 HydrophobicContact CG2-CG 4.28Å; I153-I166 PolarHBondContact N-O 2.81Å; I153-I166 PolarHBondContact O-N 2.79Å; I153-I166 VanDerWaalsContact O-N 3.15Å; I153-Y168 HydrophobicContact CB-CE2 3.95Å; I153-Y168 HydrophobicContact CD1-CD2 3.96Å; I153-Y168 HydrophobicContact CD1-CE2 3.3Å; I153-Y168 HydrophobicContact CG1-CD2 3.9Å; I153-Y168 HydrophobicContact CG1-CE2 3.47Å; I153-Y168 VanDerWaalsContact CG1-CE2 3.47Å; I153-L180 HydrophobicContact CD1-CD1 3.33Å; I153-L180 HydrophobicContact CG1-CD1 3.74Å; I153-F196 HydrophobicContact CD1-CE1 4.43Å; I153-F196 HydrophobicContact CD1-CE2 3.87Å; I153-F196 HydrophobicContact CD1-CZ 3.47Å; I153-F196 VanDerWaalsContact CD1-CZ 3.47Å
154	K	45.2	Very low	41.8	Very low	114 Å²	114	75.5 Å²	75.5	50%	0.496	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.4	162.8	-169.3	176.4	-179.3	178.7	0	110.3	I45 S139	I45-K154 HydrophobicContact CD1-CD 4.41Å; S139-K154 PolarHBondContact N-O 2.9Å; S139-K154 PolarHBondContact O-N 2.93Å; S139-K154 VanDerWaalsContact O-N 3.14Å
155	G	48	Very low	42.2	Very low	28 Å²	28	76.2 Å²	76.2	29%	0.289	41%	0.413	S	S	.	.			trans	98.4	44.9	173.6	0	0	0	0	0	115.5
156	L	46.9	Very low	42.5	Very low	15 Å²	15	75 Å²	75	8%	0.079	41%	0.405	C	S	.	.			trans	-68.9	151.9	170.5	-71.3	-179.8	0	0	0	111.8	L138 I153 E160 I166	L138-L156 HydrophobicContact CD1-CD2 4.29Å; I153-L156 HydrophobicContact CG2-CD2 4.11Å; I153-L156 HydrophobicContact CG2-CG 4.28Å; L156-E160 WeakPolarHBondContact CD1-OE2 3.12Å; L156-I166 HydrophobicContact CD1-CD1 3.49Å; L156-I166 VanDerWaalsContact CD1-CD1 3.49Å
157	P	45.4	Very low	43.2	Very low	40 Å²	40	70.3 Å²	70.3	26%	0.26	39%	0.392	S	S	.	.			trans	-58.3	161.9	-177.2	16.8	-28.1	0	0	0	115.1	K159 E160 W206	P157-K159 VanDerWaalsContact C-N 3.26Å; P157-K159 PolarHBondContact O-N 3.36Å; P157-E160 PolarHBondContact O-N 3.47Å; P157-W206 HydrophobicContact CG-CD2 4.36Å; P157-W206 HydrophobicContact CG-CE3 3.97Å; P157-W206 HydrophobicContact CG-CH2 4.23Å; P157-W206 HydrophobicContact CG-CZ3 3.9Å
158	P	41.6	Very low	44	Very low	61 Å²	61	61.8 Å²	61.8	40%	0.396	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-66.7	-5.1	-149.9	12.8	-21.6	0	0	0	117.7	Y136 M161	Y136-P158 VanDerWaalsContact CE2-CD 3.5Å; Y136-P158 HydrophobicContact CE2-CG 4.01Å; Y136-P158 WeakPolarHBondContact OH-CB 3.35Å; P158-M161 HydrophobicContact CB-CE 3.72Å; P158-M161 HydrophobicContact CB-SD 4.32Å; P158-M161 WeakPolarHBondContact O-CB 3.04Å; P158-M161 WeakPolarHBondContact O-CG 3.35Å; P158-M161 VanDerWaalsContact O-SD 3.32Å
159	K	37.8	Very low	44.7	Very low	189 Å²	189	59.5 Å²	59.5	82%	0.822	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-91.1	-7.7	179.1	-71.2	-168	176.7	-172.8	0	114.1	P157	P157-K159 VanDerWaalsContact C-N 3.26Å; P157-K159 PolarHBondContact O-N 3.36Å
160	E	41.6	Very low	45.6	Very low	91 Å²	91	59.3 Å²	59.3	43%	0.425	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-105.7	35.2	172	-65.6	-177	-161.3	0	0	111.7	L156 P157 N162 S163	L156-E160 WeakPolarHBondContact CD1-OE2 3.12Å; P157-E160 PolarHBondContact O-N 3.47Å; E160-N162 PolarHBondContact O-N 2.9Å; E160-S163 PolarHBondContact O-N 3.15Å; E160-S163 PolarHBondContact O-OG 2.03Å
161	M	31	Very low	46.3	Very low	136 Å²	136	60.9 Å²	60.9	67%	0.67	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	8.1	-162.4	-116.8	178.5	-176.6	0	0	117.9	P158	P158-M161 HydrophobicContact CB-CE 3.72Å; P158-M161 HydrophobicContact CB-SD 4.32Å; P158-M161 WeakPolarHBondContact O-CB 3.04Å; P158-M161 WeakPolarHBondContact O-CG 3.35Å; P158-M161 VanDerWaalsContact O-SD 3.32Å
162	N	34.5	Very low	46.9	Very low	168 Å²	168	61.7 Å²	61.7	90%	0.898	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	6.8	170.9	-76.8	-15.4	0	0	0	113.3	E160 G164	E160-N162 PolarHBondContact O-N 2.9Å; N162-G164 PolarHBondContact O-N 3.17Å; N162-G164 VanDerWaalsContact O-N 3.16Å
163	S	37.7	Very low	47.5	Very low	50 Å²	50	66 Å²	66	35%	0.35	38%	0.383	S	S	.	.			trans	-73.9	110.9	-176.9	49.1	0	0	0	0	111.1	E160	E160-S163 PolarHBondContact O-N 3.15Å; E160-S163 PolarHBondContact O-OG 2.03Å
164	G	43.2	Very low	48.1	Very low	53 Å²	53	67.3 Å²	67.3	55%	0.546	39%	0.391	S	S	.	.			trans	-59	-169.1	157	0	0	0	0	0	111.4	N162 I166	N162-G164 PolarHBondContact O-N 3.17Å; N162-G164 VanDerWaalsContact O-N 3.16Å; G164-I166 WeakPolarHBondContact O-CG1 3.46Å; G164-I166 PolarHBondContact O-N 3.39Å; G164-I166 VanDerWaalsContact O-N 3.13Å
165	A	45.2	Very low	49	Very low	71 Å²	71	67.4 Å²	67.4	59%	0.587	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-47.7	120.5	169.3	0	0	0	0	0	111.1	V152	V152-A165 HydrophobicContact CG1-CB 3.46Å; V152-A165 VanDerWaalsContact CG1-CB 3.46Å
166	I	48	Very low	49.7	Very low	16 Å²	16	68.6 Å²	68.6	8%	0.082	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	176.2	-53.5	-175	0	0	0	109	V152 I153 L156 G164 Y168	V152-I166 CarbonylContact C-O 3.55Å; V152-I166 VanDerWaalsContact CA-O 3.28Å; V152-I166 WeakPolarHBondContact CA-O 3.1Å; I153-I166 PolarHBondContact N-O 2.81Å; I153-I166 PolarHBondContact O-N 2.79Å; I153-I166 VanDerWaalsContact O-N 3.15Å; L156-I166 HydrophobicContact CD1-CD1 3.49Å; L156-I166 VanDerWaalsContact CD1-CD1 3.49Å; G164-I166 WeakPolarHBondContact O-CG1 3.46Å; G164-I166 PolarHBondContact O-N 3.39Å; G164-I166 VanDerWaalsContact O-N 3.13Å; I166-Y168 HydrophobicContact CB-CE2 4.01Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 4.28Å; I166-Y168 HydrophobicContact CG2-CE2 3.73Å
167	C	52.3	Low	50.4	Low	62 Å²	62	71.1 Å²	71.1	42%	0.419	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.1	177.7	175.6	0	0	0	0	112.1	C150 F151	C150-C167 WeakPolarHBondContact CB-SG 3.36Å; C150-C167 WeakPolarHBondContact SG-CA 3.28Å; C150-C167 WeakPolarHBondContact SG-CB 3.49Å; C150-C167 CovalentContact SG-SG 2.03Å; C150-C167 PolarHBondContact SG-SG 2.73Å; F151-C167 CarbonylContact O-C 3.45Å; F151-C167 WeakPolarHBondContact O-CA 3.46Å
168	Y	56.5	Low	51.2	Low	1 Å²	1	69.8 Å²	69.8	0%	0.004	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	106	173.5	-61	-84.6	0	0	0	109.1	C150 F151 I153 I166 E170 L180 F181 R182 H194	C150-Y168 CarbonylContact C-O 3.59Å; C150-Y168 VanDerWaalsContact CA-O 3.3Å; C150-Y168 WeakPolarHBondContact CA-O 3.32Å; C150-Y168 PolarHBondContact SG-N 3.42Å; C150-Y168 VanDerWaalsContact SG-N 3.39Å; F151-Y168 PolarHBondContact N-O 3.16Å; F151-Y168 WeakPolarHBondContact O-CD2 3.37Å; F151-Y168 PolarHBondContact O-N 3.47Å; I153-Y168 HydrophobicContact CB-CE2 3.95Å; I153-Y168 HydrophobicContact CD1-CD2 3.96Å; I153-Y168 HydrophobicContact CD1-CE2 3.3Å; I153-Y168 HydrophobicContact CG1-CD2 3.9Å; I153-Y168 HydrophobicContact CG1-CE2 3.47Å; I153-Y168 VanDerWaalsContact CG1-CE2 3.47Å; I166-Y168 HydrophobicContact CB-CE2 4.01Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 4.28Å; I166-Y168 HydrophobicContact CG2-CE2 3.73Å; Y168-E170 PolarHBondContact O-N 2.97Å; Y168-L180 HydrophobicContact CD1-CB 3.82Å; Y168-L180 HydrophobicContact CD2-CB 4.21Å; Y168-L180 HydrophobicContact CD2-CD1 3.97Å; Y168-L180 HydrophobicContact CE1-CB 4.39Å; Y168-L180 HydrophobicContact CE2-CD1 4.4Å; Y168-L180 HydrophobicContact CG-CB 3.73Å; Y168-L180 HydrophobicContact CG-CD1 4.28Å; Y168-L180 HydrophobicContact CG-CG 4.43Å; Y168-F181 WeakPolarHBondContact CA-O 3.48Å; Y168-F181 WeakPolarHBondContact CB-O 3.45Å; Y168-R182 HydrophobicContact CD1-CB 3.75Å; Y168-R182 HydrophobicContact CE1-CB 3.9Å; Y168-H194 AromaticContact CE1-CD2 3.12Å; Y168-H194 WeakPolarHBondContact CE1-CD2 3.12Å; Y168-H194 AromaticContact CE1-NE2 3.5Å; Y168-H194 AromaticContact CZ-CD2 3.45Å; Y168-H194 VanDerWaalsContact CZ-CD2 3.45Å; Y168-H194 AromaticContact CZ-NE2 3.71Å; Y168-H194 PolarHBondContact OH-CD2 2.86Å; Y168-H194 PolarHBondContact OH-NE2 2.76Å; Y168-H194 VanDerWaalsContact OH-NE2 3.08Å
169	P	54	Low	52.3	Low	46 Å²	46	67 Å²	67	30%	0.299	39%	0.391	S	S	.	.	S	Bend	trans	-67.6	-17.2	-177.6	26.6	-36.4	0	0	0	114.1	T149 F181	T149-P169 CarbonylContact O-C 3.51Å; T149-P169 WeakPolarHBondContact O-CA 3.44Å; P169-F181 VanDerWaalsContact CD-O 3.3Å; P169-F181 WeakPolarHBondContact CD-O 3.14Å
170	E	59.9	Low	53.6	Low	52 Å²	52	58 Å²	58	24%	0.243	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.4	-172.4	-78.8	163.5	-124.7	0	0	110.9	Y168 F181 R183	Y168-E170 PolarHBondContact O-N 2.97Å; E170-F181 HydrophobicContact CB-CB 3.85Å; E170-F181 HydrophobicContact CB-CD2 4.17Å; E170-F181 HydrophobicContact CB-CG 4.44Å; E170-F181 PolarHBondContact O-N 3.47Å; E170-R183 IonicContact OE1-CZ 3.28Å; E170-R183 IonicContact OE1-NE 2.64Å; E170-R183 PolarHBondContact OE1-NE 3.28Å; E170-R183 IonicContact OE1-NH1 2.66Å; E170-R183 IonicContact OE1-NH2 3.37Å; E170-R183 PolarHBondContact OE1-NH2 2.79Å; E170-R183 IonicContact OE2-CZ 3.3Å; E170-R183 IonicContact OE2-NE 2.66Å; E170-R183 IonicContact OE2-NH2 2.77Å; E170-R183 PolarHBondContact OE2-NH2 2.65Å
171	A	60.5	Low	54.5	Low	40 Å²	40	53.9 Å²	53.9	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.1	175.2	0	0	0	0	0	112.2	F151 F178 H179 L180	F151-A171 HydrophobicContact CD2-CB 3.69Å; F151-A171 HydrophobicContact CE1-CB 4.43Å; F151-A171 HydrophobicContact CE2-CB 3.22Å; F151-A171 HydrophobicContact CG-CB 4.48Å; F151-A171 HydrophobicContact CZ-CB 3.64Å; A171-F178 HydrophobicContact CB-CE2 4.17Å; A171-F178 HydrophobicContact CB-CZ 3.95Å; A171-H179 CarbonylContact C-O 3.47Å; A171-H179 WeakPolarHBondContact CA-O 3.12Å; A171-H179 WeakPolarHBondContact CB-O 3.26Å; A171-L180 HydrophobicContact CB-CD2 3.67Å
172	S	59.4	Low	56.1	Low	31 Å²	31	51.2 Å²	51.2	22%	0.217	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158	171.3	72.1	0	0	0	0	111.8	H179 F181	S172-H179 PolarHBondContact N-O 2.84Å; S172-H179 PolarHBondContact O-N 2.76Å; S172-F181 VanDerWaalsContact OG-CE2 3.31Å; S172-F181 WeakPolarHBondContact OG-CE2 3.38Å; S172-F181 WeakPolarHBondContact OG-CZ 3.49Å
173	I	60.6	Low	57.3	Low	120 Å²	120	46.9 Å²	46.9	62%	0.615	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.1	171	-64.3	171.9	0	0	0	108.7	K177 F178	I173-K177 CarbonylContact C-O 3.49Å; I173-K177 VanDerWaalsContact CA-O 3.28Å; I173-K177 WeakPolarHBondContact CA-O 3.29Å; I173-F178 HydrophobicContact CD1-CD2 4.01Å; I173-F178 HydrophobicContact CG1-CD2 3.61Å; I173-F178 HydrophobicContact CG1-CE2 4.32Å
174	T	60.2	Low	58.4	Low	29 Å²	29	47.9 Å²	47.9	18%	0.178	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	136.2	-180	36.2	0	0	0	0	110.5	G176 K177 H179 H226	T174-G176 PolarHBondContact O-N 3.38Å; T174-G176 VanDerWaalsContact O-N 3.14Å; T174-K177 PolarHBondContact N-O 3.18Å; T174-K177 WeakPolarHBondContact O-CA 3.48Å; T174-K177 WeakPolarHBondContact O-CB 2.9Å; T174-K177 PolarHBondContact O-N 3.3Å; T174-H179 PolarHBondContact OG1-CD2 2.82Å; T174-H179 PolarHBondContact OG1-NE2 2.76Å; T174-H226 HydrophobicContact CG2-CB 4.26Å; T174-H226 PolarHBondContact OG1-CD2 3.31Å; T174-H226 PolarHBondContact OG1-NE2 3.08Å
175	D	64.9	Low	58.7	Low	117 Å²	117	50.2 Å²	50.2	63%	0.626	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	37.4	179.9	-59.2	-24.3	0	0	0	114.5	K177	D175-K177 PolarHBondContact O-N 3.41Å
176	G	62.3	Low	58.6	Low	53 Å²	53	52.9 Å²	52.9	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	3.1	-177.8	0	0	0	0	0	114.9	T174	T174-G176 PolarHBondContact O-N 3.38Å; T174-G176 VanDerWaalsContact O-N 3.14Å
177	K	62.3	Low	58.2	Low	67 Å²	67	55.1 Å²	55.1	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.7	177.7	-61	-174.7	177.2	-166.4	0	110.7	I173 T174 D175 H179 F196 E197	I173-K177 CarbonylContact C-O 3.49Å; I173-K177 VanDerWaalsContact CA-O 3.28Å; I173-K177 WeakPolarHBondContact CA-O 3.29Å; T174-K177 PolarHBondContact N-O 3.18Å; T174-K177 WeakPolarHBondContact O-CA 3.48Å; T174-K177 WeakPolarHBondContact O-CB 2.9Å; T174-K177 PolarHBondContact O-N 3.3Å; D175-K177 PolarHBondContact O-N 3.41Å; K177-H179 WeakPolarHBondContact CB-NE2 3.28Å; K177-H179 PolarHBondContact O-CD2 2.79Å; K177-H179 VanDerWaalsContact O-CD2 3.27Å; K177-F196 CarbonylContact C-O 3.6Å; K177-F196 VanDerWaalsContact CA-O 3.29Å; K177-F196 WeakPolarHBondContact CA-O 3.43Å; K177-E197 WeakPolarHBondContact CE-OE1 3.44Å; K177-E197 HydrophobicContact CG-CG 4.06Å; K177-E197 IonicContact NZ-OE1 3.66Å; K177-E197 PolarHBondContact NZ-OE1 2.68Å
178	F	62.4	Low	58	Low	12 Å²	12	55.6 Å²	55.6	5%	0.053	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127	172.3	-176.8	-101.5	0	0	0	108.9	V140 F151 A171 I173 L180 F196 V198 L204	V140-F178 HydrophobicContact CG1-CE1 4.47Å; F151-F178 HydrophobicContact CD1-CE1 4.45Å; F151-F178 AromaticContact CD1-CZ 3.82Å; F151-F178 HydrophobicContact CD1-CZ 3.82Å; F151-F178 HydrophobicContact CE1-CE2 4.33Å; F151-F178 AromaticContact CE1-CZ 3.64Å; F151-F178 HydrophobicContact CE1-CZ 3.64Å; F151-F178 HydrophobicContact CG-CZ 4.46Å; F151-F178 HydrophobicContact CZ-CZ 4.16Å; A171-F178 HydrophobicContact CB-CE2 4.17Å; A171-F178 HydrophobicContact CB-CZ 3.95Å; I173-F178 HydrophobicContact CD1-CD2 4.01Å; I173-F178 HydrophobicContact CG1-CD2 3.61Å; I173-F178 HydrophobicContact CG1-CE2 4.32Å; F178-L180 HydrophobicContact CD1-CD2 4.31Å; F178-L180 HydrophobicContact CD1-CG 4.06Å; F178-L180 HydrophobicContact CE1-CD1 3.88Å; F178-L180 HydrophobicContact CE1-CD2 3.34Å; F178-L180 HydrophobicContact CE1-CG 3.47Å; F178-L180 VanDerWaalsContact CE1-CG 3.47Å; F178-L180 HydrophobicContact CZ-CD2 3.62Å; F178-L180 HydrophobicContact CZ-CG 4.26Å; F178-F196 HydrophobicContact CB-CB 4.24Å; F178-F196 HydrophobicContact CD1-CB 4.47Å; F178-F196 HydrophobicContact CD1-CD2 4.13Å; F178-F196 PolarHBondContact N-O 2.78Å; F178-F196 PolarHBondContact O-N 2.94Å; F178-V198 HydrophobicContact CB-CG2 4.3Å; F178-L204 HydrophobicContact CB-CD2 3.9Å; F178-L204 HydrophobicContact CD1-CD1 4.01Å; F178-L204 HydrophobicContact CD1-CD2 4.21Å; F178-L204 HydrophobicContact CE1-CD1 4.28Å; F178-L204 HydrophobicContact CG-CD2 4.21Å
179	H	63.2	Low	57.9	Low	4 Å²	4	56.6 Å²	56.6	2%	0.019	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.1	-173.9	-58	-96.2	0	0	0	109.2	A171 S172 T174 K177 F181 M193 H194 H195 H226	A171-H179 CarbonylContact C-O 3.47Å; A171-H179 WeakPolarHBondContact CA-O 3.12Å; A171-H179 WeakPolarHBondContact CB-O 3.26Å; S172-H179 PolarHBondContact N-O 2.84Å; S172-H179 PolarHBondContact O-N 2.76Å; T174-H179 PolarHBondContact OG1-CD2 2.82Å; T174-H179 PolarHBondContact OG1-NE2 2.76Å; K177-H179 WeakPolarHBondContact CB-NE2 3.28Å; K177-H179 PolarHBondContact O-CD2 2.79Å; K177-H179 VanDerWaalsContact O-CD2 3.27Å; H179-F181 HydrophobicContact CB-CE2 3.82Å; H179-F181 HydrophobicContact CB-CZ 3.74Å; H179-M193 HydrophobicContact CB-CG 4.1Å; H179-M193 HydrophobicContact CB-SD 3.78Å; H179-M193 PolarHBondContact ND1-SD 2.74Å; H179-H194 WeakPolarHBondContact CA-O 3.22Å; H179-H195 AromaticContact CE1-CE1 3.69Å; H179-H195 AromaticContact CE1-ND1 3.19Å; H179-H195 PolarHBondContact CE1-ND1 2.93Å; H179-H195 AromaticContact ND1-CE1 3.46Å; H179-H195 PolarHBondContact ND1-CE1 2.9Å; H179-H195 AromaticContact ND1-ND1 3.01Å; H179-H195 PolarHBondContact ND1-ND1 2.83Å; H179-H226 AromaticContact CE1-CE1 3.73Å; H179-H226 AromaticContact CE1-NE2 3.87Å
180	L	65.6	Low	58	Low	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.1	175.4	-72	-179	0	0	0	110.2	V140 F151 I153 Y168 A171 F178 M193 H194 F196	V140-L180 HydrophobicContact CG1-CD1 4.18Å; F151-L180 HydrophobicContact CB-CD1 4.19Å; F151-L180 HydrophobicContact CB-CD2 3.52Å; F151-L180 HydrophobicContact CD1-CD2 4.07Å; F151-L180 HydrophobicContact CD2-CD2 3.71Å; F151-L180 HydrophobicContact CE2-CD2 4.48Å; F151-L180 HydrophobicContact CG-CD2 3.48Å; F151-L180 VanDerWaalsContact CG-CD2 3.48Å; I153-L180 HydrophobicContact CD1-CD1 3.33Å; I153-L180 HydrophobicContact CG1-CD1 3.74Å; Y168-L180 HydrophobicContact CD1-CB 3.82Å; Y168-L180 HydrophobicContact CD2-CB 4.21Å; Y168-L180 HydrophobicContact CD2-CD1 3.97Å; Y168-L180 HydrophobicContact CE1-CB 4.39Å; Y168-L180 HydrophobicContact CE2-CD1 4.4Å; Y168-L180 HydrophobicContact CG-CB 3.73Å; Y168-L180 HydrophobicContact CG-CD1 4.28Å; Y168-L180 HydrophobicContact CG-CG 4.43Å; A171-L180 HydrophobicContact CB-CD2 3.67Å; F178-L180 HydrophobicContact CD1-CD2 4.31Å; F178-L180 HydrophobicContact CD1-CG 4.06Å; F178-L180 HydrophobicContact CE1-CD1 3.88Å; F178-L180 HydrophobicContact CE1-CD2 3.34Å; F178-L180 HydrophobicContact CE1-CG 3.47Å; F178-L180 VanDerWaalsContact CE1-CG 3.47Å; F178-L180 HydrophobicContact CZ-CD2 3.62Å; F178-L180 HydrophobicContact CZ-CG 4.26Å; L180-M193 CarbonylContact O-C 3.57Å; L180-M193 WeakPolarHBondContact O-CA 3.24Å; L180-H194 PolarHBondContact N-O 3.22Å; L180-H194 PolarHBondContact O-N 3.41Å; L180-F196 HydrophobicContact CB-CE2 4.32Å; L180-F196 HydrophobicContact CD1-CD2 4.34Å; L180-F196 HydrophobicContact CD1-CE2 3.77Å; L180-F196 HydrophobicContact CG-CD2 4.44Å; L180-F196 HydrophobicContact CG-CE2 4.12Å
181	F	61.4	Low	58.2	Low	3 Å²	3	52.5 Å²	52.5	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.4	-173.3	-59	-82.9	0	0	0	111.6	Y168 P169 E170 S172 H179 L191 E192 M193 L224	Y168-F181 WeakPolarHBondContact CA-O 3.48Å; Y168-F181 WeakPolarHBondContact CB-O 3.45Å; P169-F181 VanDerWaalsContact CD-O 3.3Å; P169-F181 WeakPolarHBondContact CD-O 3.14Å; E170-F181 HydrophobicContact CB-CB 3.85Å; E170-F181 HydrophobicContact CB-CD2 4.17Å; E170-F181 HydrophobicContact CB-CG 4.44Å; E170-F181 PolarHBondContact O-N 3.47Å; S172-F181 VanDerWaalsContact OG-CE2 3.31Å; S172-F181 WeakPolarHBondContact OG-CE2 3.38Å; S172-F181 WeakPolarHBondContact OG-CZ 3.49Å; H179-F181 HydrophobicContact CB-CE2 3.82Å; H179-F181 HydrophobicContact CB-CZ 3.74Å; F181-L191 HydrophobicContact CB-CD1 3.95Å; F181-L191 HydrophobicContact CD1-CD1 4.11Å; F181-L191 HydrophobicContact CD1-CD2 4.37Å; F181-L191 HydrophobicContact CD1-CG 4.43Å; F181-L191 HydrophobicContact CG-CD1 4.46Å; F181-E192 CarbonylContact C-O 3.47Å; F181-E192 VanDerWaalsContact CA-O 3.3Å; F181-E192 WeakPolarHBondContact CA-O 3.36Å; F181-M193 HydrophobicContact CD1-CB 3.89Å; F181-M193 HydrophobicContact CD1-CG 3.9Å; F181-M193 HydrophobicContact CD1-SD 4.21Å; F181-M193 HydrophobicContact CE1-CB 3.93Å; F181-M193 HydrophobicContact CE1-CE 4.48Å; F181-M193 HydrophobicContact CE1-CG 3.58Å; F181-M193 HydrophobicContact CE1-SD 3.29Å; F181-M193 WeakPolarHBondContact CE1-SD 3.45Å; F181-M193 HydrophobicContact CZ-CG 4.18Å; F181-M193 HydrophobicContact CZ-SD 3.64Å; F181-L224 HydrophobicContact CD1-CD2 3.33Å; F181-L224 HydrophobicContact CD2-CD2 3.97Å; F181-L224 HydrophobicContact CE1-CD2 3.1Å; F181-L224 HydrophobicContact CE2-CD2 3.8Å; F181-L224 HydrophobicContact CG-CD2 3.75Å; F181-L224 HydrophobicContact CZ-CD2 3.37Å
182	R	63.3	Low	58.3	Low	81 Å²	81	51.7 Å²	51.7	31%	0.306	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134	175.1	-178.8	177.6	-176.8	-172.6	3.7	109.6	Y168 Y184 L191 E192	Y168-R182 HydrophobicContact CD1-CB 3.75Å; Y168-R182 HydrophobicContact CE1-CB 3.9Å; R182-Y184 WeakPolarHBondContact CD-OH 3.48Å; R182-Y184 HydrophobicContact CG-CE2 4.14Å; R182-Y184 VanDerWaalsContact CZ-OH 3.29Å; R182-Y184 PolarHBondContact NE-OH 2.84Å; R182-Y184 PolarHBondContact NH1-OH 3.48Å; R182-L191 CarbonylContact O-C 3.44Å; R182-L191 VanDerWaalsContact O-CA 3.28Å; R182-L191 WeakPolarHBondContact O-CA 3.49Å; R182-E192 HydrophobicContact CB-CB 4.4Å; R182-E192 PolarHBondContact N-O 2.81Å; R182-E192 PolarHBondContact O-N 2.98Å
183	R	61.4	Low	58.6	Low	76 Å²	76	50.2 Å²	50.2	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.2	177.7	-59.8	179	-173	-173	1	110.6	E170 L190 L191 L214 V221	E170-R183 IonicContact OE1-CZ 3.28Å; E170-R183 IonicContact OE1-NE 2.64Å; E170-R183 PolarHBondContact OE1-NE 3.28Å; E170-R183 IonicContact OE1-NH1 2.66Å; E170-R183 IonicContact OE1-NH2 3.37Å; E170-R183 PolarHBondContact OE1-NH2 2.79Å; E170-R183 IonicContact OE2-CZ 3.3Å; E170-R183 IonicContact OE2-NE 2.66Å; E170-R183 IonicContact OE2-NH2 2.77Å; E170-R183 PolarHBondContact OE2-NH2 2.65Å; R183-L190 CarbonylContact C-O 3.41Å; R183-L190 WeakPolarHBondContact CA-O 3.23Å; R183-L191 HydrophobicContact CG-CD1 3.83Å; R183-L214 HydrophobicContact CG-CD1 4.31Å; R183-V221 PolarHBondContact NH1-O 2.83Å
184	Y	59.4	Low	59	Low	72 Å²	72	44.5 Å²	44.5	28%	0.282	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.3	172.6	-60.4	-92.6	0	0	0	108	R182 H189 L190 E192	R182-Y184 WeakPolarHBondContact CD-OH 3.48Å; R182-Y184 HydrophobicContact CG-CE2 4.14Å; R182-Y184 VanDerWaalsContact CZ-OH 3.29Å; R182-Y184 PolarHBondContact NE-OH 2.84Å; R182-Y184 PolarHBondContact NH1-OH 3.48Å; Y184-H189 CarbonylContact O-C 3.47Å; Y184-H189 WeakPolarHBondContact O-CA 3.39Å; Y184-H189 PolarHBondContact O-N 2.88Å; Y184-L190 HydrophobicContact CD2-CB 3.8Å; Y184-L190 HydrophobicContact CD2-CD2 3.95Å; Y184-L190 HydrophobicContact CD2-CG 4.26Å; Y184-L190 HydrophobicContact CE2-CD2 4.06Å; Y184-L190 HydrophobicContact CG-CB 4.3Å; Y184-L190 PolarHBondContact N-O 2.75Å; Y184-L190 PolarHBondContact O-N 3.03Å; Y184-E192 HydrophobicContact CE2-CB 3.92Å; Y184-E192 WeakPolarHBondContact CE2-OE2 3.25Å; Y184-E192 PolarHBondContact OH-OE2 2.93Å
185	S	50.6	Low	59.2	Low	101 Å²	101	44.1 Å²	44.1	71%	0.706	23%	0.23	S	C	*	.			trans	-80.2	-16.8	-171.3	45.7	0	0	0	0	115.1	H189	S185-H189 PolarHBondContact O-CE1 3.4Å; S185-H189 PolarHBondContact O-ND1 3.18Å; S185-H189 PolarHBondContact O-NE2 2.93Å
186	H	43.4	Very low	59.1	Low	127 Å²	127	38.6 Å²	38.6	59%	0.588	20%	0.2	S	C	*	.	S	Bend	trans	-162.7	145	179.2	-161.4	-66.9	0	0	0	110.9	E217	H186-E217 IonicContact CD2-OE1 3.38Å; H186-E217 IonicContact NE2-OE1 3.93Å; H186-E217 PolarHBondContact NE2-OE1 3.3Å
187	P	39.6	Very low	59.1	Low	64 Å²	64	39.8 Å²	39.8	42%	0.416	19%	0.192	S	C	.	.	S	Bend	cis	-85.4	-0.7	-8	30.3	-28.8	0	0	0	114.4
188	H	46.8	Very low	58.9	Low	72 Å²	72	39.6 Å²	39.6	33%	0.333	20%	0.196	S	C	.	.	S	Bend	trans	-103.9	-5.9	-164.1	-60.9	-54.9	0	0	0	115.1	L190	H188-L190 PolarHBondContact O-N 3.43Å; H188-L190 VanDerWaalsContact O-N 3.15Å
189	H	54.3	Low	58.5	Low	21 Å²	21	40.6 Å²	40.6	10%	0.097	20%	0.203	C	C	.	.			trans	41.8	53.1	-178.3	-65.6	-84.5	0	0	0	110.6	Y184 S185 L214 E217	Y184-H189 CarbonylContact O-C 3.47Å; Y184-H189 WeakPolarHBondContact O-CA 3.39Å; Y184-H189 PolarHBondContact O-N 2.88Å; S185-H189 PolarHBondContact O-CE1 3.4Å; S185-H189 PolarHBondContact O-ND1 3.18Å; S185-H189 PolarHBondContact O-NE2 2.93Å; H189-L214 HydrophobicContact CB-CB 4.1Å; H189-L214 WeakPolarHBondContact CB-O 3.49Å; H189-L214 VanDerWaalsContact O-CA 3.31Å; H189-L214 WeakPolarHBondContact O-CA 3.47Å; H189-L214 WeakPolarHBondContact O-CB 3.41Å; H189-L214 PolarHBondContact O-N 3.5Å; H189-E217 PolarHBondContact CE1-N 3.13Å; H189-E217 WeakPolarHBondContact NE2-CG 3.37Å; H189-E217 PolarHBondContact NE2-N 3.49Å
190	L	56.7	Low	58	Low	13 Å²	13	47.6 Å²	47.6	7%	0.068	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.6	-172.4	-168.2	80.1	0	0	0	108.9	R183 Y184 H188 F212 L213 F257	R183-L190 CarbonylContact C-O 3.41Å; R183-L190 WeakPolarHBondContact CA-O 3.23Å; Y184-L190 HydrophobicContact CD2-CB 3.8Å; Y184-L190 HydrophobicContact CD2-CD2 3.95Å; Y184-L190 HydrophobicContact CD2-CG 4.26Å; Y184-L190 HydrophobicContact CE2-CD2 4.06Å; Y184-L190 HydrophobicContact CG-CB 4.3Å; Y184-L190 PolarHBondContact N-O 2.75Å; Y184-L190 PolarHBondContact O-N 3.03Å; H188-L190 PolarHBondContact O-N 3.43Å; H188-L190 VanDerWaalsContact O-N 3.15Å; L190-F212 CarbonylContact C-O 3.52Å; L190-F212 WeakPolarHBondContact CA-O 3.38Å; L190-F212 WeakPolarHBondContact CD1-O 3.41Å; L190-L213 HydrophobicContact CD1-CD2 3.85Å; L190-F257 HydrophobicContact CD1-CZ 3.98Å; L190-F257 HydrophobicContact CD2-CE2 4.27Å; L190-F257 HydrophobicContact CD2-CZ 3.98Å
191	L	63.1	Low	56.9	Low	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.6	163	167.3	83.9	0	0	0	107.2	F181 R182 R183 S211 F212 L214 L224 V232	F181-L191 HydrophobicContact CB-CD1 3.95Å; F181-L191 HydrophobicContact CD1-CD1 4.11Å; F181-L191 HydrophobicContact CD1-CD2 4.37Å; F181-L191 HydrophobicContact CD1-CG 4.43Å; F181-L191 HydrophobicContact CG-CD1 4.46Å; R182-L191 CarbonylContact O-C 3.44Å; R182-L191 VanDerWaalsContact O-CA 3.28Å; R182-L191 WeakPolarHBondContact O-CA 3.49Å; R183-L191 HydrophobicContact CG-CD1 3.83Å; L191-S211 CarbonylContact O-C 3.56Å; L191-S211 VanDerWaalsContact O-CA 3.3Å; L191-S211 WeakPolarHBondContact O-CA 3.36Å; L191-F212 HydrophobicContact CB-CB 4.03Å; L191-F212 HydrophobicContact CB-CD2 4.41Å; L191-F212 HydrophobicContact CD2-CB 4.09Å; L191-F212 HydrophobicContact CD2-CD2 3.73Å; L191-F212 HydrophobicContact CD2-CG 4.01Å; L191-F212 HydrophobicContact CG-CB 4.44Å; L191-F212 HydrophobicContact CG-CD2 4.01Å; L191-F212 PolarHBondContact N-O 3.11Å; L191-F212 WeakPolarHBondContact O-CD2 3.42Å; L191-F212 PolarHBondContact O-N 3.42Å; L191-L214 HydrophobicContact CB-CD1 4.03Å; L191-L214 HydrophobicContact CB-CD2 3.66Å; L191-L214 HydrophobicContact CB-CG 3.78Å; L191-L214 HydrophobicContact CD2-CD2 4.25Å; L191-L224 HydrophobicContact CD1-CD1 3.98Å; L191-L224 HydrophobicContact CD2-CD1 3.38Å; L191-L224 HydrophobicContact CD2-CD2 4.38Å; L191-L224 HydrophobicContact CD2-CG 4.46Å; L191-L224 HydrophobicContact CG-CD1 4.34Å; L191-V232 HydrophobicContact CD2-CG1 4.33Å
192	E	63.3	Low	56	Low	22 Å²	22	61 Å²	61	10%	0.103	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131	174.5	-173.7	176.8	-162.8	0	0	108.5	F181 R182 Y184 H194 Q210	F181-E192 CarbonylContact C-O 3.47Å; F181-E192 VanDerWaalsContact CA-O 3.3Å; F181-E192 WeakPolarHBondContact CA-O 3.36Å; R182-E192 HydrophobicContact CB-CB 4.4Å; R182-E192 PolarHBondContact N-O 2.81Å; R182-E192 PolarHBondContact O-N 2.98Å; Y184-E192 HydrophobicContact CE2-CB 3.92Å; Y184-E192 WeakPolarHBondContact CE2-OE2 3.25Å; Y184-E192 PolarHBondContact OH-OE2 2.93Å; E192-H194 VanDerWaalsContact CD-NE2 3.32Å; E192-H194 WeakPolarHBondContact CG-NE2 3.16Å; E192-H194 IonicContact OE1-CE1 3.73Å; E192-H194 PolarHBondContact OE1-CE1 2.78Å; E192-H194 VanDerWaalsContact OE1-CE1 3.3Å; E192-H194 IonicContact OE1-NE2 3.53Å; E192-H194 PolarHBondContact OE1-NE2 2.81Å; E192-H194 IonicContact OE2-NE2 2.79Å; E192-Q210 CarbonylContact C-O 3.51Å; E192-Q210 WeakPolarHBondContact CA-O 3.3Å
193	M	67	Low	55.2	Low	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.8	176.3	-178.8	175.7	41.9	0	0	109.4	H179 L180 F181 H195 S209 Q210 F212 Y250	H179-M193 HydrophobicContact CB-CG 4.1Å; H179-M193 HydrophobicContact CB-SD 3.78Å; H179-M193 PolarHBondContact ND1-SD 2.74Å; L180-M193 CarbonylContact O-C 3.57Å; L180-M193 WeakPolarHBondContact O-CA 3.24Å; F181-M193 HydrophobicContact CD1-CB 3.89Å; F181-M193 HydrophobicContact CD1-CG 3.9Å; F181-M193 HydrophobicContact CD1-SD 4.21Å; F181-M193 HydrophobicContact CE1-CB 3.93Å; F181-M193 HydrophobicContact CE1-CE 4.48Å; F181-M193 HydrophobicContact CE1-CG 3.58Å; F181-M193 HydrophobicContact CE1-SD 3.29Å; F181-M193 WeakPolarHBondContact CE1-SD 3.45Å; F181-M193 HydrophobicContact CZ-CG 4.18Å; F181-M193 HydrophobicContact CZ-SD 3.64Å; M193-H195 WeakPolarHBondContact CE-CE1 3.38Å; M193-H195 WeakPolarHBondContact CE-NE2 3.3Å; M193-S209 CarbonylContact O-C 3.45Å; M193-S209 VanDerWaalsContact O-CA 3.26Å; M193-S209 WeakPolarHBondContact O-CA 3.37Å; M193-Q210 HydrophobicContact CE-CB 4.24Å; M193-Q210 PolarHBondContact N-O 2.93Å; M193-Q210 PolarHBondContact O-N 2.89Å; M193-F212 HydrophobicContact CB-CD2 4.49Å; M193-F212 HydrophobicContact CB-CE2 3.7Å; M193-F212 HydrophobicContact CE-CE2 3.59Å; M193-F212 HydrophobicContact CE-CZ 3.43Å; M193-F212 VanDerWaalsContact CE-CZ 3.43Å; M193-Y250 HydrophobicContact CE-CE1 4.16Å
194	H	67.2	Low	54.9	Low	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	132.6	169.8	-58.3	-92.1	0	0	0	109.7	Y168 H179 L180 E192 F196 S209	Y168-H194 AromaticContact CE1-CD2 3.12Å; Y168-H194 WeakPolarHBondContact CE1-CD2 3.12Å; Y168-H194 AromaticContact CE1-NE2 3.5Å; Y168-H194 AromaticContact CZ-CD2 3.45Å; Y168-H194 VanDerWaalsContact CZ-CD2 3.45Å; Y168-H194 AromaticContact CZ-NE2 3.71Å; Y168-H194 PolarHBondContact OH-CD2 2.86Å; Y168-H194 PolarHBondContact OH-NE2 2.76Å; Y168-H194 VanDerWaalsContact OH-NE2 3.08Å; H179-H194 WeakPolarHBondContact CA-O 3.22Å; L180-H194 PolarHBondContact N-O 3.22Å; L180-H194 PolarHBondContact O-N 3.41Å; E192-H194 VanDerWaalsContact CD-NE2 3.32Å; E192-H194 WeakPolarHBondContact CG-NE2 3.16Å; E192-H194 IonicContact OE1-CE1 3.73Å; E192-H194 PolarHBondContact OE1-CE1 2.78Å; E192-H194 VanDerWaalsContact OE1-CE1 3.3Å; E192-H194 IonicContact OE1-NE2 3.53Å; E192-H194 PolarHBondContact OE1-NE2 2.81Å; E192-H194 IonicContact OE2-NE2 2.79Å; H194-F196 HydrophobicContact CB-CE2 3.53Å; H194-F196 HydrophobicContact CB-CZ 3.83Å; H194-S209 PolarHBondContact CE1-OG 3.25Å; H194-S209 PolarHBondContact ND1-OG 2.83Å
195	H	65.3	Low	54.8	Low	21 Å²	21	56.7 Å²	56.7	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.7	-179.9	-58.6	-85.1	0	0	0	110.5	H179 M193 V207 G208 Q210	H179-H195 AromaticContact CE1-CE1 3.69Å; H179-H195 AromaticContact CE1-ND1 3.19Å; H179-H195 PolarHBondContact CE1-ND1 2.93Å; H179-H195 AromaticContact ND1-CE1 3.46Å; H179-H195 PolarHBondContact ND1-CE1 2.9Å; H179-H195 AromaticContact ND1-ND1 3.01Å; H179-H195 PolarHBondContact ND1-ND1 2.83Å; M193-H195 WeakPolarHBondContact CE-CE1 3.38Å; M193-H195 WeakPolarHBondContact CE-NE2 3.3Å; H195-V207 HydrophobicContact CB-CB 4.11Å; H195-V207 PolarHBondContact O-N 2.78Å; H195-G208 PolarHBondContact N-O 3.32Å; H195-Q210 PolarHBondContact CE1-OE1 2.86Å; H195-Q210 VanDerWaalsContact NE2-CG 3.29Å; H195-Q210 WeakPolarHBondContact NE2-CG 3.28Å; H195-Q210 PolarHBondContact NE2-OE1 2.79Å; H195-Q210 VanDerWaalsContact NE2-OE1 3.13Å
196	F	63.7	Low	55.3	Low	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.7	172.4	-57.1	-86.5	0	0	0	109.8	L138 I153 K177 F178 L180 H194 L204 Q205 W206	L138-F196 HydrophobicContact CD1-CE1 3.63Å; L138-F196 HydrophobicContact CD1-CZ 4.21Å; L138-F196 HydrophobicContact CD2-CD1 3.51Å; L138-F196 HydrophobicContact CD2-CE1 3.29Å; L138-F196 HydrophobicContact CD2-CG 4.47Å; L138-F196 HydrophobicContact CD2-CZ 4.1Å; L138-F196 HydrophobicContact CG-CE1 4.11Å; I153-F196 HydrophobicContact CD1-CE1 4.43Å; I153-F196 HydrophobicContact CD1-CE2 3.87Å; I153-F196 HydrophobicContact CD1-CZ 3.47Å; I153-F196 VanDerWaalsContact CD1-CZ 3.47Å; K177-F196 CarbonylContact C-O 3.6Å; K177-F196 VanDerWaalsContact CA-O 3.29Å; K177-F196 WeakPolarHBondContact CA-O 3.43Å; F178-F196 HydrophobicContact CB-CB 4.24Å; F178-F196 HydrophobicContact CD1-CB 4.47Å; F178-F196 HydrophobicContact CD1-CD2 4.13Å; F178-F196 PolarHBondContact N-O 2.78Å; F178-F196 PolarHBondContact O-N 2.94Å; L180-F196 HydrophobicContact CB-CE2 4.32Å; L180-F196 HydrophobicContact CD1-CD2 4.34Å; L180-F196 HydrophobicContact CD1-CE2 3.77Å; L180-F196 HydrophobicContact CG-CD2 4.44Å; L180-F196 HydrophobicContact CG-CE2 4.12Å; H194-F196 HydrophobicContact CB-CE2 3.53Å; H194-F196 HydrophobicContact CB-CZ 3.83Å; F196-L204 HydrophobicContact CB-CB 4.08Å; F196-L204 HydrophobicContact CB-CD2 3.87Å; F196-L204 HydrophobicContact CB-CG 4.43Å; F196-L204 HydrophobicContact CD1-CB 4.23Å; F196-L204 HydrophobicContact CG-CB 4.37Å; F196-Q205 CarbonylContact C-O 3.6Å; F196-Q205 WeakPolarHBondContact CA-O 3.31Å; F196-W206 HydrophobicContact CD1-CB 4.1Å; F196-W206 HydrophobicContact CE1-CB 3.85Å; F196-W206 AromaticContact CE1-CD1 3.78Å; F196-W206 HydrophobicContact CE1-CG 4.22Å
197	E	60.8	Low	56.3	Low	78 Å²	78	53.4 Å²	53.4	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.2	165.7	-94	165.8	-155.7	0	0	108.6	K177 T199 L204 Q205 V207	K177-E197 WeakPolarHBondContact CE-OE1 3.44Å; K177-E197 HydrophobicContact CG-CG 4.06Å; K177-E197 IonicContact NZ-OE1 3.66Å; K177-E197 PolarHBondContact NZ-OE1 2.68Å; E197-T199 PolarHBondContact O-N 3.37Å; E197-L204 WeakPolarHBondContact O-CA 3.19Å; E197-Q205 PolarHBondContact N-O 3.16Å; E197-Q205 PolarHBondContact O-N 3.27Å; E197-V207 HydrophobicContact CB-CG2 3.67Å; E197-V207 HydrophobicContact CG-CG2 3.61Å
198	V	58.3	Low	57.4	Low	63 Å²	63	51.1 Å²	51.1	38%	0.382	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.4	169.2	-173.5	0	0	0	0	106.5	F178 T203 L204	F178-V198 HydrophobicContact CB-CG2 4.3Å; V198-T203 WeakPolarHBondContact CA-O 3.28Å; V198-L204 HydrophobicContact CG2-CD2 3.8Å
199	T	54.4	Low	58.2	Low	33 Å²	33	49.6 Å²	49.6	20%	0.202	25%	0.249	C	C	.	.			trans	-74.8	165.3	177.2	72.8	0	0	0	0	110.8	E197 R201 M202 T203 Q205	E197-T199 PolarHBondContact O-N 3.37Å; T199-R201 PolarHBondContact O-N 3.19Å; T199-R201 PolarHBondContact OG1-N 2.74Å; T199-M202 PolarHBondContact O-N 3.19Å; T199-T203 PolarHBondContact N-O 3.46Å; T199-T203 PolarHBondContact OG1-OG1 2.85Å; T199-Q205 HydrophobicContact CG2-CB 4.17Å
200	D	52.3	Low	58.4	Low	152 Å²	152	49.1 Å²	49.1	81%	0.813	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-19.7	171.1	57.4	-29.2	0	0	0	114.4
201	R	41.9	Very low	58.4	Low	169 Å²	169	49.8 Å²	49.8	64%	0.638	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	15.7	178.7	-57.9	-176.3	-174.8	-158.5	-0.5	114.4	R129 T199 T203	R129-R201 VanDerWaalsContact NH1-NH1 3.2Å; T199-R201 PolarHBondContact O-N 3.19Å; T199-R201 PolarHBondContact OG1-N 2.74Å; R201-T203 HydrophobicContact CB-CG2 4.45Å; R201-T203 PolarHBondContact O-N 3.01Å
202	M	42.6	Very low	58	Low	116 Å²	116	50.2 Å²	50.2	57%	0.571	25%	0.254	S	S	*	.	S	Bend	trans	61.3	23.8	-177.7	-57.9	-72.8	-79.4	0	0	113.9	L103 T199	L103-M202 HydrophobicContact CD1-CE 3.87Å; T199-M202 PolarHBondContact O-N 3.19Å
203	T	47.3	Very low	57.5	Low	30 Å²	30	51 Å²	51	18%	0.184	26%	0.259	C	S	.	.			trans	-95.9	151.1	173.1	66	0	0	0	0	110.4	V127 V198 T199 R201	V127-T203 WeakPolarHBondContact O-CG2 3.3Å; V198-T203 WeakPolarHBondContact CA-O 3.28Å; T199-T203 PolarHBondContact N-O 3.46Å; T199-T203 PolarHBondContact OG1-OG1 2.85Å; R201-T203 HydrophobicContact CB-CG2 4.45Å; R201-T203 PolarHBondContact O-N 3.01Å
204	L	54.3	Low	56.9	Low	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.1	176	-68.8	176.3	0	0	0	109.9	Y126 S128 L138 V140 F178 F196 E197 V198	Y126-L204 HydrophobicContact CD1-CD1 4.2Å; Y126-L204 HydrophobicContact CD1-CG 4.35Å; Y126-L204 HydrophobicContact CD2-CD1 4.24Å; Y126-L204 HydrophobicContact CG-CD1 3.79Å; Y126-L204 HydrophobicContact CG-CG 4.33Å; S128-L204 WeakPolarHBondContact CB-O 3.48Å; S128-L204 PolarHBondContact OG-O 3.38Å; L138-L204 HydrophobicContact CD2-CB 3.9Å; V140-L204 HydrophobicContact CB-CD1 4.06Å; V140-L204 HydrophobicContact CG2-CD1 3.48Å; V140-L204 VanDerWaalsContact CG2-CD1 3.48Å; F178-L204 HydrophobicContact CB-CD2 3.9Å; F178-L204 HydrophobicContact CD1-CD1 4.01Å; F178-L204 HydrophobicContact CD1-CD2 4.21Å; F178-L204 HydrophobicContact CE1-CD1 4.28Å; F178-L204 HydrophobicContact CG-CD2 4.21Å; F196-L204 HydrophobicContact CB-CB 4.08Å; F196-L204 HydrophobicContact CB-CD2 3.87Å; F196-L204 HydrophobicContact CB-CG 4.43Å; F196-L204 HydrophobicContact CD1-CB 4.23Å; F196-L204 HydrophobicContact CG-CB 4.37Å; E197-L204 WeakPolarHBondContact O-CA 3.19Å; V198-L204 HydrophobicContact CG2-CD2 3.8Å
205	Q	58	Low	56	Low	105 Å²	105	53.4 Å²	53.4	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.4	170.8	-178.4	173.8	-3.3	0	0	109.1	F196 E197 T199 V207	F196-Q205 CarbonylContact C-O 3.6Å; F196-Q205 WeakPolarHBondContact CA-O 3.31Å; E197-Q205 PolarHBondContact N-O 3.16Å; E197-Q205 PolarHBondContact O-N 3.27Å; T199-Q205 HydrophobicContact CG2-CB 4.17Å; Q205-V207 PolarHBondContact O-N 2.95Å
206	W	62	Low	55.1	Low	94 Å²	94	53 Å²	53	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.8	173.3	178.7	67.5	0	0	0	110.2	P157 F196 G208 S209	P157-W206 HydrophobicContact CG-CD2 4.36Å; P157-W206 HydrophobicContact CG-CE3 3.97Å; P157-W206 HydrophobicContact CG-CH2 4.23Å; P157-W206 HydrophobicContact CG-CZ3 3.9Å; F196-W206 HydrophobicContact CD1-CB 4.1Å; F196-W206 HydrophobicContact CE1-CB 3.85Å; F196-W206 AromaticContact CE1-CD1 3.78Å; F196-W206 HydrophobicContact CE1-CG 4.22Å; W206-G208 PolarHBondContact NE1-O 2.87Å; W206-S209 PolarHBondContact NE1-OG 3.14Å
207	V	62.8	Low	54.1	Low	65 Å²	65	57.1 Å²	57.1	39%	0.394	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-27.2	-179	-179.8	0	0	0	0	111.2	H195 E197 Q205	H195-V207 HydrophobicContact CB-CB 4.11Å; H195-V207 PolarHBondContact O-N 2.78Å; E197-V207 HydrophobicContact CB-CG2 3.67Å; E197-V207 HydrophobicContact CG-CG2 3.61Å; Q205-V207 PolarHBondContact O-N 2.95Å
208	G	62.6	Low	53.4	Low	16 Å²	16	56.3 Å²	56.3	17%	0.165	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	178	-178.7	0	0	0	0	0	113	H195 W206	H195-G208 PolarHBondContact N-O 3.32Å; W206-G208 PolarHBondContact NE1-O 2.87Å
209	S	63.4	Low	52.8	Low	41 Å²	41	55.8 Å²	55.8	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.9	173.5	-45.4	0	0	0	0	109.3	M193 H194 W206	M193-S209 CarbonylContact O-C 3.45Å; M193-S209 VanDerWaalsContact O-CA 3.26Å; M193-S209 WeakPolarHBondContact O-CA 3.37Å; H194-S209 PolarHBondContact CE1-OG 3.25Å; H194-S209 PolarHBondContact ND1-OG 2.83Å; W206-S209 PolarHBondContact NE1-OG 3.14Å
210	Q	58.7	Low	52.4	Low	11 Å²	11	58.7 Å²	58.7	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.3	174.3	-71.1	-179.4	-16.9	0	0	108.4	E192 M193 H195 F212 Y250	E192-Q210 CarbonylContact C-O 3.51Å; E192-Q210 WeakPolarHBondContact CA-O 3.3Å; M193-Q210 HydrophobicContact CE-CB 4.24Å; M193-Q210 PolarHBondContact N-O 2.93Å; M193-Q210 PolarHBondContact O-N 2.89Å; H195-Q210 PolarHBondContact CE1-OE1 2.86Å; H195-Q210 VanDerWaalsContact NE2-CG 3.29Å; H195-Q210 WeakPolarHBondContact NE2-CG 3.28Å; H195-Q210 PolarHBondContact NE2-OE1 2.79Å; H195-Q210 VanDerWaalsContact NE2-OE1 3.13Å; Q210-F212 HydrophobicContact CB-CE2 3.84Å; Q210-F212 HydrophobicContact CB-CZ 3.96Å; Q210-Y250 VanDerWaalsContact OE1-CD1 3.31Å
211	S	56.5	Low	52.3	Low	26 Å²	26	52.1 Å²	52.1	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144	169.4	-42.8	0	0	0	0	110.5	L191 H255	L191-S211 CarbonylContact O-C 3.56Å; L191-S211 VanDerWaalsContact O-CA 3.3Å; L191-S211 WeakPolarHBondContact O-CA 3.36Å; S211-H255 WeakPolarHBondContact CB-CD2 3.34Å; S211-H255 PolarHBondContact O-NE2 3.07Å; S211-H255 PolarHBondContact OG-CD2 3.45Å
212	F	55.3	Low	52.5	Low	10 Å²	10	46.8 Å²	46.8	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.9	-175.7	-55.4	-93.4	0	0	0	108	L190 L191 M193 Q210 V232 Y250	L190-F212 CarbonylContact C-O 3.52Å; L190-F212 WeakPolarHBondContact CA-O 3.38Å; L190-F212 WeakPolarHBondContact CD1-O 3.41Å; L191-F212 HydrophobicContact CB-CB 4.03Å; L191-F212 HydrophobicContact CB-CD2 4.41Å; L191-F212 HydrophobicContact CD2-CB 4.09Å; L191-F212 HydrophobicContact CD2-CD2 3.73Å; L191-F212 HydrophobicContact CD2-CG 4.01Å; L191-F212 HydrophobicContact CG-CB 4.44Å; L191-F212 HydrophobicContact CG-CD2 4.01Å; L191-F212 PolarHBondContact N-O 3.11Å; L191-F212 WeakPolarHBondContact O-CD2 3.42Å; L191-F212 PolarHBondContact O-N 3.42Å; M193-F212 HydrophobicContact CB-CD2 4.49Å; M193-F212 HydrophobicContact CB-CE2 3.7Å; M193-F212 HydrophobicContact CE-CE2 3.59Å; M193-F212 HydrophobicContact CE-CZ 3.43Å; M193-F212 VanDerWaalsContact CE-CZ 3.43Å; Q210-F212 HydrophobicContact CB-CE2 3.84Å; Q210-F212 HydrophobicContact CB-CZ 3.96Å; F212-V232 HydrophobicContact CD1-CB 4.39Å; F212-V232 HydrophobicContact CD1-CG2 4.15Å; F212-V232 HydrophobicContact CE1-CB 4.16Å; F212-V232 HydrophobicContact CE1-CG2 3.55Å; F212-V232 HydrophobicContact CE2-CG2 4.25Å; F212-V232 HydrophobicContact CZ-CG2 3.66Å; F212-Y250 AromaticContact CE1-CD1 3.45Å; F212-Y250 HydrophobicContact CE1-CD1 3.45Å; F212-Y250 VanDerWaalsContact CE1-CD1 3.45Å; F212-Y250 AromaticContact CE1-CE1 3.53Å; F212-Y250 HydrophobicContact CE1-CE1 3.53Å; F212-Y250 AromaticContact CZ-CD1 3.63Å; F212-Y250 HydrophobicContact CZ-CD1 3.63Å; F212-Y250 AromaticContact CZ-CE1 3.51Å; F212-Y250 HydrophobicContact CZ-CE1 3.51Å
213	L	52.7	Low	52.7	Low	38 Å²	38	47.2 Å²	47.2	20%	0.199	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.5	169.1	-63.9	160.4	0	0	0	108	L190 M287 L307	L190-L213 HydrophobicContact CD1-CD2 3.85Å; L213-M287 HydrophobicContact CB-SD 3.98Å; L213-M287 HydrophobicContact CD1-CB 4.08Å; L213-M287 HydrophobicContact CD1-SD 4.18Å; L213-M287 HydrophobicContact CD2-CE 4.05Å; L213-M287 HydrophobicContact CD2-SD 3.64Å; L213-M287 HydrophobicContact CG-SD 4.12Å; L213-L307 HydrophobicContact CD1-CD1 3.69Å; L213-L307 HydrophobicContact CD1-CD2 3.4Å; L213-L307 HydrophobicContact CD1-CG 4.08Å; L213-L307 HydrophobicContact CD2-CD1 3.36Å; L213-L307 HydrophobicContact CG-CD1 3.94Å
214	L	54.5	Low	52.8	Low	13 Å²	13	47.2 Å²	47.2	7%	0.068	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-77.3	152.2	165.1	-53.9	176.9	0	0	0	108.7	R183 H189 L191 V221 Y234	R183-L214 HydrophobicContact CG-CD1 4.31Å; H189-L214 HydrophobicContact CB-CB 4.1Å; H189-L214 WeakPolarHBondContact CB-O 3.49Å; H189-L214 VanDerWaalsContact O-CA 3.31Å; H189-L214 WeakPolarHBondContact O-CA 3.47Å; H189-L214 WeakPolarHBondContact O-CB 3.41Å; H189-L214 PolarHBondContact O-N 3.5Å; L191-L214 HydrophobicContact CB-CD1 4.03Å; L191-L214 HydrophobicContact CB-CD2 3.66Å; L191-L214 HydrophobicContact CB-CG 3.78Å; L191-L214 HydrophobicContact CD2-CD2 4.25Å; L214-V221 HydrophobicContact CB-CG2 4.39Å; L214-V221 HydrophobicContact CD1-CG2 4.17Å; L214-V221 HydrophobicContact CD2-CG2 4.05Å; L214-V221 HydrophobicContact CG-CG2 4.44Å; L214-Y234 HydrophobicContact CD2-CD1 4.21Å; L214-Y234 HydrophobicContact CD2-CE1 4.37Å
215	P	48.6	Very low	52.3	Low	39 Å²	39	49.1 Å²	49.1	25%	0.253	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-58.4	145.2	171.4	20.9	-28.5	0	0	0	110.2	V219 Y234 V236	P215-V219 HydrophobicContact CB-CB 4.25Å; P215-V219 HydrophobicContact CB-CG1 4.14Å; P215-V219 HydrophobicContact CB-CG2 4.29Å; P215-V219 HydrophobicContact CG-CB 4.17Å; P215-V219 HydrophobicContact CG-CG1 3.61Å; P215-Y234 WeakPolarHBondContact CD-OH 3.3Å; P215-Y234 HydrophobicContact CG-CE2 3.81Å; P215-V236 HydrophobicContact CG-CG1 3.8Å
216	G	47	Very low	51.7	Low	12 Å²	12	45.3 Å²	45.3	12%	0.124	27%	0.267	C	S	.	.			trans	-62.3	-177.8	-174.8	0	0	0	0	0	114.9
217	E	42.6	Very low	50.6	Low	86 Å²	86	45.7 Å²	45.7	40%	0.402	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.7	142.4	-179.4	-64.5	-178.4	-135.2	0	0	114.7	H186 H189 K290	H186-E217 IonicContact CD2-OE1 3.38Å; H186-E217 IonicContact NE2-OE1 3.93Å; H186-E217 PolarHBondContact NE2-OE1 3.3Å; H189-E217 PolarHBondContact CE1-N 3.13Å; H189-E217 WeakPolarHBondContact NE2-CG 3.37Å; H189-E217 PolarHBondContact NE2-N 3.49Å; E217-K290 VanDerWaalsContact CD-CE 3.48Å; E217-K290 WeakPolarHBondContact OE1-CE 3.23Å; E217-K290 IonicContact OE1-NZ 2.91Å; E217-K290 PolarHBondContact OE1-NZ 2.92Å; E217-K290 WeakPolarHBondContact OE2-CE 3.5Å; E217-K290 IonicContact OE2-NZ 3.51Å; E217-K290 PolarHBondContact OE2-NZ 3.09Å
218	G	46	Very low	49.7	Very low	61 Å²	61	46.2 Å²	46.2	63%	0.629	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	2.1	-178.1	0	0	0	0	0	114.4
219	V	45.2	Very low	49	Very low	52 Å²	52	54.4 Å²	54.4	32%	0.315	31%	0.307	S	S	.	.			trans	-120.5	116.4	179.8	-178.6	0	0	0	0	109.6	P215 V236	P215-V219 HydrophobicContact CB-CB 4.25Å; P215-V219 HydrophobicContact CB-CG1 4.14Å; P215-V219 HydrophobicContact CB-CG2 4.29Å; P215-V219 HydrophobicContact CG-CB 4.17Å; P215-V219 HydrophobicContact CG-CG1 3.61Å; V219-V236 HydrophobicContact CG1-CB 3.44Å; V219-V236 VanDerWaalsContact CG1-CB 3.44Å; V219-V236 HydrophobicContact CG1-CG1 3.11Å; V219-V236 HydrophobicContact CG1-CG2 4.45Å
220	T	46.4	Very low	48.1	Very low	94 Å²	94	55.3 Å²	55.3	58%	0.577	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.6	174.8	-55.2	0	0	0	0	108.7	S222 V236 K237	T220-S222 PolarHBondContact O-N 2.66Å; T220-V236 WeakPolarHBondContact O-CA 3.48Å; T220-K237 WeakPolarHBondContact CB-O 3.13Å; T220-K237 PolarHBondContact N-O 3.15Å; T220-K237 PolarHBondContact O-N 2.83Å
221	V	49.2	Very low	47.5	Very low	14 Å²	14	60.5 Å²	60.5	9%	0.085	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	106.9	167.4	177.7	0	0	0	0	108	R183 L214 Y234 S235 V236	R183-V221 PolarHBondContact NH1-O 2.83Å; L214-V221 HydrophobicContact CB-CG2 4.39Å; L214-V221 HydrophobicContact CD1-CG2 4.17Å; L214-V221 HydrophobicContact CD2-CG2 4.05Å; L214-V221 HydrophobicContact CG-CG2 4.44Å; V221-Y234 HydrophobicContact CG1-CG 4.45Å; V221-Y234 HydrophobicContact CG2-CD2 4.38Å; V221-S235 CarbonylContact C-O 3.54Å; V221-S235 WeakPolarHBondContact CA-O 3.2Å; V221-V236 HydrophobicContact CG2-CG1 3.8Å
222	S	47.8	Very low	47.1	Very low	57 Å²	57	59.2 Å²	59.2	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-37.4	-174.3	42	0	0	0	0	112.6	T220 S235 E243	T220-S222 PolarHBondContact O-N 2.66Å; S222-S235 PolarHBondContact N-O 3.42Å; S222-S235 WeakPolarHBondContact OG-CB 3.41Å; S222-S235 PolarHBondContact OG-O 2.88Å; S222-S235 VanDerWaalsContact OG-O 3.11Å; S222-E243 WeakPolarHBondContact CB-OE1 3.47Å; S222-E243 VanDerWaalsContact OG-CD 3.23Å; S222-E243 PolarHBondContact OG-OE1 2.64Å
223	K	46.8	Very low	46.8	Very low	125 Å²	125	59.6 Å²	59.6	54%	0.543	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	134.6	-174.3	-168.4	-179.6	-178.4	-177.4	0	110.5	V225 Y234 S235	K223-V225 HydrophobicContact CD-CG2 3.95Å; K223-V225 HydrophobicContact CG-CG2 3.95Å; K223-Y234 CarbonylContact O-C 3.48Å; K223-Y234 VanDerWaalsContact O-CA 3.27Å; K223-Y234 WeakPolarHBondContact O-CA 3.37Å; K223-S235 PolarHBondContact O-N 3.05Å
224	L	48.8	Very low	46.7	Very low	31 Å²	31	58.7 Å²	58.7	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.5	169.9	-151.4	107.4	0	0	0	109.3	F181 L191 V232	F181-L224 HydrophobicContact CD1-CD2 3.33Å; F181-L224 HydrophobicContact CD2-CD2 3.97Å; F181-L224 HydrophobicContact CE1-CD2 3.1Å; F181-L224 HydrophobicContact CE2-CD2 3.8Å; F181-L224 HydrophobicContact CG-CD2 3.75Å; F181-L224 HydrophobicContact CZ-CD2 3.37Å; L191-L224 HydrophobicContact CD1-CD1 3.98Å; L191-L224 HydrophobicContact CD2-CD1 3.38Å; L191-L224 HydrophobicContact CD2-CD2 4.38Å; L191-L224 HydrophobicContact CD2-CG 4.46Å; L191-L224 HydrophobicContact CG-CD1 4.34Å; L224-V232 HydrophobicContact CD1-CG1 3.87Å; L224-V232 HydrophobicContact CD2-CG1 4Å; L224-V232 HydrophobicContact CG-CG1 3.78Å
225	V	44.4	Very low	46.4	Very low	41 Å²	41	58.2 Å²	58.2	25%	0.248	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.1	175.2	-171.3	0	0	0	0	108	K223 F227 V233	K223-V225 HydrophobicContact CD-CG2 3.95Å; K223-V225 HydrophobicContact CG-CG2 3.95Å; V225-F227 HydrophobicContact CB-CD2 4.36Å; V225-F227 HydrophobicContact CB-CE2 3.87Å; V225-F227 HydrophobicContact CG1-CD2 3.89Å; V225-F227 HydrophobicContact CG1-CE2 3.38Å; V225-F227 HydrophobicContact CG1-CZ 3.8Å; V225-V233 HydrophobicContact CB-CB 4.44Å; V225-V233 PolarHBondContact N-O 3.08Å; V225-V233 PolarHBondContact O-N 3.06Å
226	H	44	Very low	46.4	Very low	25 Å²	25	57 Å²	57	12%	0.116	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.6	168.8	-169.3	89.8	0	0	0	109.4	T174 H179 Y250	T174-H226 HydrophobicContact CG2-CB 4.26Å; T174-H226 PolarHBondContact OG1-CD2 3.31Å; T174-H226 PolarHBondContact OG1-NE2 3.08Å; H179-H226 AromaticContact CE1-CE1 3.73Å; H179-H226 AromaticContact CE1-NE2 3.87Å; H226-Y250 AromaticContact CE1-CZ 3.84Å; H226-Y250 PolarHBondContact CE1-OH 3.21Å; H226-Y250 PolarHBondContact ND1-OH 3.09Å
227	F	39.5	Very low	46.2	Very low	103 Å²	103	61.9 Å²	61.9	45%	0.452	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.4	171.6	-77.8	-88.4	0	0	0	110.2	V225 R231 V233	V225-F227 HydrophobicContact CB-CD2 4.36Å; V225-F227 HydrophobicContact CB-CE2 3.87Å; V225-F227 HydrophobicContact CG1-CD2 3.89Å; V225-F227 HydrophobicContact CG1-CE2 3.38Å; V225-F227 HydrophobicContact CG1-CZ 3.8Å; F227-R231 PolarHBondContact N-O 2.97Å; F227-V233 HydrophobicContact CD2-CB 3.9Å; F227-V233 HydrophobicContact CD2-CG2 3.42Å; F227-V233 VanDerWaalsContact CD2-CG2 3.42Å; F227-V233 HydrophobicContact CE2-CB 3.77Å; F227-V233 HydrophobicContact CE2-CG1 4.44Å; F227-V233 HydrophobicContact CE2-CG2 3.53Å
228	P	43.8	Very low	46.6	Very low	75 Å²	75	58.9 Å²	58.9	49%	0.487	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	150.1	-175.4	-23.1	31.6	0	0	0	113.9	D230	P228-D230 PolarHBondContact O-N 3.36Å; P228-D230 VanDerWaalsContact O-N 3.15Å
229	K	47.1	Very low	46.6	Very low	188 Å²	188	65.4 Å²	65.4	82%	0.817	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-52.2	168	-63.9	-176.1	177.2	179.5	0	118.9
230	D	45.8	Very low	46.7	Very low	61 Å²	61	71.8 Å²	71.8	33%	0.326	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	5.7	-168.7	69.3	-29.1	0	0	0	118.4	P228 T249 Y250	P228-D230 PolarHBondContact O-N 3.36Å; P228-D230 VanDerWaalsContact O-N 3.15Å; D230-T249 HydrophobicContact CB-CG2 4.46Å; D230-T249 CarbonylContact O-C 3.58Å; D230-T249 WeakPolarHBondContact O-CA 3.44Å; D230-Y250 VanDerWaalsContact C-CZ 3.43Å; D230-Y250 HydrophobicContact CB-CD2 4Å; D230-Y250 HydrophobicContact CB-CE2 4.33Å; D230-Y250 VanDerWaalsContact O-CD2 3.29Å; D230-Y250 WeakPolarHBondContact O-CD2 3.42Å; D230-Y250 PolarHBondContact O-N 3.43Å
231	R	45.2	Very low	46.8	Very low	119 Å²	119	68.3 Å²	68.3	45%	0.449	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.7	-167.3	-55.5	175.5	-165.5	-170.7	-3.2	116.2	F227 V248 Y250	F227-R231 PolarHBondContact N-O 2.97Å; R231-V248 VanDerWaalsContact CA-O 3.23Å; R231-V248 WeakPolarHBondContact CA-O 2.94Å; R231-Y250 VanDerWaalsContact C-OH 3.25Å; R231-Y250 PolarHBondContact N-OH 2.76Å; R231-Y250 PolarHBondContact O-OH 3.3Å; R231-Y250 VanDerWaalsContact O-OH 3.07Å
232	V	49.2	Very low	46.7	Very low	0 Å²	0	76 Å²	76	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.9	160.1	174.5	0	0	0	0	108	L191 F212 L224 V248 Y250	L191-V232 HydrophobicContact CD2-CG1 4.33Å; F212-V232 HydrophobicContact CD1-CB 4.39Å; F212-V232 HydrophobicContact CD1-CG2 4.15Å; F212-V232 HydrophobicContact CE1-CB 4.16Å; F212-V232 HydrophobicContact CE1-CG2 3.55Å; F212-V232 HydrophobicContact CE2-CG2 4.25Å; F212-V232 HydrophobicContact CZ-CG2 3.66Å; L224-V232 HydrophobicContact CD1-CG1 3.87Å; L224-V232 HydrophobicContact CD2-CG1 4Å; L224-V232 HydrophobicContact CG-CG1 3.78Å; V232-V248 PolarHBondContact N-O 2.85Å; V232-V248 PolarHBondContact O-N 3.43Å; V232-Y250 HydrophobicContact CG2-CE1 4.02Å
233	V	47.5	Very low	46.5	Very low	18 Å²	18	78 Å²	78	11%	0.109	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.7	165.8	178	0	0	0	0	107.4	V225 F227 D245 V246 A247	V225-V233 HydrophobicContact CB-CB 4.44Å; V225-V233 PolarHBondContact N-O 3.08Å; V225-V233 PolarHBondContact O-N 3.06Å; F227-V233 HydrophobicContact CD2-CB 3.9Å; F227-V233 HydrophobicContact CD2-CG2 3.42Å; F227-V233 VanDerWaalsContact CD2-CG2 3.42Å; F227-V233 HydrophobicContact CE2-CB 3.77Å; F227-V233 HydrophobicContact CE2-CG1 4.44Å; F227-V233 HydrophobicContact CE2-CG2 3.53Å; V233-D245 HydrophobicContact CG1-CB 3.77Å; V233-V246 CarbonylContact C-O 3.52Å; V233-V246 VanDerWaalsContact CA-O 3.3Å; V233-V246 WeakPolarHBondContact CA-O 3.29Å; V233-A247 HydrophobicContact CG2-CB 3.91Å
234	Y	52.2	Low	46.3	Very low	18 Å²	18	73.9 Å²	73.9	7%	0.071	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.3	168	55	-104.9	0	0	0	110.1	L214 P215 V221 K223 V236 V246 V248	L214-Y234 HydrophobicContact CD2-CD1 4.21Å; L214-Y234 HydrophobicContact CD2-CE1 4.37Å; P215-Y234 WeakPolarHBondContact CD-OH 3.3Å; P215-Y234 HydrophobicContact CG-CE2 3.81Å; V221-Y234 HydrophobicContact CG1-CG 4.45Å; V221-Y234 HydrophobicContact CG2-CD2 4.38Å; K223-Y234 CarbonylContact O-C 3.48Å; K223-Y234 VanDerWaalsContact O-CA 3.27Å; K223-Y234 WeakPolarHBondContact O-CA 3.37Å; Y234-V236 HydrophobicContact CD2-CB 4.47Å; Y234-V236 HydrophobicContact CD2-CG1 3.62Å; Y234-V236 HydrophobicContact CD2-CG2 4.13Å; Y234-V236 HydrophobicContact CE2-CG1 3.83Å; Y234-V236 HydrophobicContact CE2-CG2 4.09Å; Y234-V246 HydrophobicContact CD2-CB 3.86Å; Y234-V246 HydrophobicContact CE1-CG1 4.37Å; Y234-V246 HydrophobicContact CE2-CB 3.43Å; Y234-V246 VanDerWaalsContact CE2-CB 3.43Å; Y234-V246 HydrophobicContact CE2-CG1 3.68Å; Y234-V246 HydrophobicContact CE2-CG2 4.01Å; Y234-V246 PolarHBondContact N-O 3.34Å; Y234-V246 PolarHBondContact O-N 2.93Å; Y234-V246 WeakPolarHBondContact OH-CG1 3.23Å; Y234-V248 HydrophobicContact CD1-CG2 4.29Å; Y234-V248 HydrophobicContact CE1-CB 4.21Å; Y234-V248 HydrophobicContact CE1-CG2 3.28Å; Y234-V248 WeakPolarHBondContact OH-CG2 3.16Å
235	S	47.3	Very low	46	Very low	4 Å²	4	77.6 Å²	77.6	3%	0.028	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.1	171.8	-49.2	0	0	0	0	108.1	V221 S222 K223 E243 I244 D245	V221-S235 CarbonylContact C-O 3.54Å; V221-S235 WeakPolarHBondContact CA-O 3.2Å; S222-S235 PolarHBondContact N-O 3.42Å; S222-S235 WeakPolarHBondContact OG-CB 3.41Å; S222-S235 PolarHBondContact OG-O 2.88Å; S222-S235 VanDerWaalsContact OG-O 3.11Å; K223-S235 PolarHBondContact O-N 3.05Å; S235-E243 WeakPolarHBondContact CB-OE1 3.44Å; S235-I244 CarbonylContact C-O 3.49Å; S235-I244 WeakPolarHBondContact CA-O 3.29Å; S235-D245 WeakPolarHBondContact CB-OD1 3.09Å; S235-D245 PolarHBondContact OG-OD1 3.35Å
236	V	49.3	Very low	46	Very low	14 Å²	14	77.7 Å²	77.7	9%	0.085	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.5	-179.4	-91	0	0	0	0	111.7	P215 V219 T220 V221 Y234 E243 I244 V246	P215-V236 HydrophobicContact CG-CG1 3.8Å; V219-V236 HydrophobicContact CG1-CB 3.44Å; V219-V236 VanDerWaalsContact CG1-CB 3.44Å; V219-V236 HydrophobicContact CG1-CG1 3.11Å; V219-V236 HydrophobicContact CG1-CG2 4.45Å; T220-V236 WeakPolarHBondContact O-CA 3.48Å; V221-V236 HydrophobicContact CG2-CG1 3.8Å; Y234-V236 HydrophobicContact CD2-CB 4.47Å; Y234-V236 HydrophobicContact CD2-CG1 3.62Å; Y234-V236 HydrophobicContact CD2-CG2 4.13Å; Y234-V236 HydrophobicContact CE2-CG1 3.83Å; Y234-V236 HydrophobicContact CE2-CG2 4.09Å; V236-E243 WeakPolarHBondContact O-CA 3.43Å; V236-I244 VanDerWaalsContact CG2-O 3.27Å; V236-I244 WeakPolarHBondContact CG2-O 3.38Å; V236-I244 PolarHBondContact N-O 2.88Å; V236-I244 PolarHBondContact O-N 2.77Å; V236-V246 HydrophobicContact CG2-CB 4.23Å; V236-V246 HydrophobicContact CG2-CG2 3.36Å
237	K	42.5	Very low	45.9	Very low	113 Å²	113	79.2 Å²	79.2	49%	0.491	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.3	177.4	-171.2	176	-179.6	179.3	0	109	T220 E243	T220-K237 WeakPolarHBondContact CB-O 3.13Å; T220-K237 PolarHBondContact N-O 3.15Å; T220-K237 PolarHBondContact O-N 2.83Å; K237-E243 HydrophobicContact CB-CB 4.44Å
238	S	50	Low	46.1	Very low	23 Å²	23	75.6 Å²	75.6	16%	0.161	38%	0.378	C	S	.	.			trans	-90.2	163.3	164.6	75.5	0	0	0	0	109.7	E240 S241	S238-E240 PolarHBondContact O-N 2.8Å; S238-E240 VanDerWaalsContact O-N 3.1Å; S238-S241 PolarHBondContact N-OG 3.25Å; S238-S241 PolarHBondContact O-N 2.69Å; S238-S241 WeakPolarHBondContact OG-CB 3.31Å; S238-S241 PolarHBondContact OG-N 2.74Å; S238-S241 PolarHBondContact OG-OG 2.79Å
239	E	45.9	Very low	45.9	Very low	198 Å²	198	74.7 Å²	74.7	93%	0.925	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.8	177.7	-66.2	-178.6	168.3	0	0	112.7
240	E	47.5	Very low	45.6	Very low	186 Å²	186	66.8 Å²	66.8	87%	0.869	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	6.5	-173.3	-60	-179.6	164.7	0	0	113.9	S238	S238-E240 PolarHBondContact O-N 2.8Å; S238-E240 VanDerWaalsContact O-N 3.1Å
241	S	48.4	Very low	45.2	Very low	22 Å²	22	67 Å²	67	15%	0.154	34%	0.335	C	S	.	.	S	Bend	trans	-127.5	154.2	-175.3	77.2	0	0	0	0	113.8	S238	S238-S241 PolarHBondContact N-OG 3.25Å; S238-S241 PolarHBondContact O-N 2.69Å; S238-S241 WeakPolarHBondContact OG-CB 3.31Å; S238-S241 PolarHBondContact OG-N 2.74Å; S238-S241 PolarHBondContact OG-OG 2.79Å
242	E	47.2	Very low	44.5	Very low	174 Å²	174	68.7 Å²	68.7	81%	0.813	35%	0.346	S	S	*	.			trans	-56.8	155.2	160.6	-65.4	-178.6	171.4	0	0	110.4
243	E	43.6	Very low	43.9	Very low	101 Å²	101	69.7 Å²	69.7	47%	0.472	36%	0.356	S	S	.	.			trans	-70.3	126.4	175.2	-178.4	171.9	-174	0	0	109.3	S222 S235 V236 K237	S222-E243 WeakPolarHBondContact CB-OE1 3.47Å; S222-E243 VanDerWaalsContact OG-CD 3.23Å; S222-E243 PolarHBondContact OG-OE1 2.64Å; S235-E243 WeakPolarHBondContact CB-OE1 3.44Å; V236-E243 WeakPolarHBondContact O-CA 3.43Å; K237-E243 HydrophobicContact CB-CB 4.44Å
244	I	43.4	Very low	43.4	Very low	38 Å²	38	78.3 Å²	78.3	20%	0.195	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131	-177	-53.7	175	0	0	0	109	S235 V236	S235-I244 CarbonylContact C-O 3.49Å; S235-I244 WeakPolarHBondContact CA-O 3.29Å; V236-I244 VanDerWaalsContact CG2-O 3.27Å; V236-I244 WeakPolarHBondContact CG2-O 3.38Å; V236-I244 PolarHBondContact N-O 2.88Å; V236-I244 PolarHBondContact O-N 2.77Å
245	D	41.6	Very low	42.8	Very low	108 Å²	108	79.7 Å²	79.7	58%	0.578	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.7	171.7	-70	-24.2	0	0	0	110.8	V233 S235	V233-D245 HydrophobicContact CG1-CB 3.77Å; S235-D245 WeakPolarHBondContact CB-OD1 3.09Å; S235-D245 PolarHBondContact OG-OD1 3.35Å
246	V	45.3	Very low	42.3	Very low	43 Å²	43	84.3 Å²	84.3	26%	0.261	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.5	175.5	178	0	0	0	0	109	V233 Y234 V236 V248	V233-V246 CarbonylContact C-O 3.52Å; V233-V246 VanDerWaalsContact CA-O 3.3Å; V233-V246 WeakPolarHBondContact CA-O 3.29Å; Y234-V246 HydrophobicContact CD2-CB 3.86Å; Y234-V246 HydrophobicContact CE1-CG1 4.37Å; Y234-V246 HydrophobicContact CE2-CB 3.43Å; Y234-V246 VanDerWaalsContact CE2-CB 3.43Å; Y234-V246 HydrophobicContact CE2-CG1 3.68Å; Y234-V246 HydrophobicContact CE2-CG2 4.01Å; Y234-V246 PolarHBondContact N-O 3.34Å; Y234-V246 PolarHBondContact O-N 2.93Å; Y234-V246 WeakPolarHBondContact OH-CG1 3.23Å; V236-V246 HydrophobicContact CG2-CB 4.23Å; V236-V246 HydrophobicContact CG2-CG2 3.36Å; V246-V248 HydrophobicContact CG1-CG2 4.22Å
247	A	40.7	Very low	41.8	Very low	58 Å²	58	87.8 Å²	87.8	48%	0.479	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.1	172.8	0	0	0	0	0	110.3	V233	V233-A247 HydrophobicContact CG2-CB 3.91Å
248	V	45.2	Very low	41.6	Very low	26 Å²	26	86 Å²	86	16%	0.158	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.5	170.9	178.4	0	0	0	0	109.3	R231 V232 Y234 V246	R231-V248 VanDerWaalsContact CA-O 3.23Å; R231-V248 WeakPolarHBondContact CA-O 2.94Å; V232-V248 PolarHBondContact N-O 2.85Å; V232-V248 PolarHBondContact O-N 3.43Å; Y234-V248 HydrophobicContact CD1-CG2 4.29Å; Y234-V248 HydrophobicContact CE1-CB 4.21Å; Y234-V248 HydrophobicContact CE1-CG2 3.28Å; Y234-V248 WeakPolarHBondContact OH-CG2 3.16Å; V246-V248 HydrophobicContact CG1-CG2 4.22Å
249	T	38.5	Very low	41.2	Very low	56 Å²	56	90.7 Å²	90.7	34%	0.344	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.6	179.9	-50	0	0	0	0	109.8	D230	D230-T249 HydrophobicContact CB-CG2 4.46Å; D230-T249 CarbonylContact O-C 3.58Å; D230-T249 WeakPolarHBondContact O-CA 3.44Å
250	Y	41.4	Very low	41.3	Very low	22 Å²	22	84.4 Å²	84.4	9%	0.086	43%	0.429	C	S	.	.			trans	-67	148.5	-179.5	-60.5	-45.9	0	0	0	113.3	M193 Q210 F212 H226 D230 R231 V232	M193-Y250 HydrophobicContact CE-CE1 4.16Å; Q210-Y250 VanDerWaalsContact OE1-CD1 3.31Å; F212-Y250 AromaticContact CE1-CD1 3.45Å; F212-Y250 HydrophobicContact CE1-CD1 3.45Å; F212-Y250 VanDerWaalsContact CE1-CD1 3.45Å; F212-Y250 AromaticContact CE1-CE1 3.53Å; F212-Y250 HydrophobicContact CE1-CE1 3.53Å; F212-Y250 AromaticContact CZ-CD1 3.63Å; F212-Y250 HydrophobicContact CZ-CD1 3.63Å; F212-Y250 AromaticContact CZ-CE1 3.51Å; F212-Y250 HydrophobicContact CZ-CE1 3.51Å; H226-Y250 AromaticContact CE1-CZ 3.84Å; H226-Y250 PolarHBondContact CE1-OH 3.21Å; H226-Y250 PolarHBondContact ND1-OH 3.09Å; D230-Y250 VanDerWaalsContact C-CZ 3.43Å; D230-Y250 HydrophobicContact CB-CD2 4Å; D230-Y250 HydrophobicContact CB-CE2 4.33Å; D230-Y250 VanDerWaalsContact O-CD2 3.29Å; D230-Y250 WeakPolarHBondContact O-CD2 3.42Å; D230-Y250 PolarHBondContact O-N 3.43Å; R231-Y250 VanDerWaalsContact C-OH 3.25Å; R231-Y250 PolarHBondContact N-OH 2.76Å; R231-Y250 PolarHBondContact O-OH 3.3Å; R231-Y250 VanDerWaalsContact O-OH 3.07Å; V232-Y250 HydrophobicContact CG2-CE1 4.02Å
251	H	37.2	Very low	41.5	Very low	65 Å²	65	80.2 Å²	80.2	30%	0.301	41%	0.409	S	S	.	.			trans	-131.5	125.2	150.7	-73.1	-56.4	0	0	0	110.2	E285 L296 Q305	H251-E285 IonicContact CD2-OE1 3.54Å; H251-E285 IonicContact CD2-OE2 3.44Å; H251-E285 IonicContact NE2-OE1 3.21Å; H251-L296 HydrophobicContact CB-CD2 4.22Å; H251-Q305 PolarHBondContact O-OE1 3.34Å
252	F	30.6	Very low	42	Very low	156 Å²	156	82 Å²	82	68%	0.684	42%	0.415	S	S	*	.			trans	-75.2	122	178.9	-72.9	-89.7	0	0	0	110.3	Q305	F252-Q305 PolarHBondContact O-NE2 3.08Å
253	G	36.7	Very low	42.7	Very low	20 Å²	20	79.8 Å²	79.8	21%	0.206	41%	0.409	C	S	.	.			trans	-179.1	150	168.2	0	0	0	0	0	113.2	H255	G253-H255 PolarHBondContact O-CD2 2.87Å; G253-H255 PolarHBondContact O-N 3.25Å
254	R	36.8	Very low	43.4	Very low	200 Å²	200	76.4 Å²	76.4	76%	0.755	39%	0.392	S	S	*	.			trans	-63	127.3	165	-75.5	-179.6	174.1	162.8	1.6	108.4	A304 Q305	R254-A304 HydrophobicContact CB-CB 4.28Å; R254-A304 CarbonylContact O-C 3.52Å; R254-A304 VanDerWaalsContact O-CA 3.24Å; R254-A304 WeakPolarHBondContact O-CA 3.47Å; R254-A304 VanDerWaalsContact O-CB 3.28Å; R254-A304 WeakPolarHBondContact O-CB 3.16Å; R254-Q305 PolarHBondContact O-N 2.84Å
255	H	40.6	Very low	44.3	Very low	46 Å²	46	77.5 Å²	77.5	21%	0.213	40%	0.404	C	S	.	.			trans	-93.7	109.7	177	-60.5	-70.7	0	0	0	111.8	S211 G253 F257 Q305	S211-H255 WeakPolarHBondContact CB-CD2 3.34Å; S211-H255 PolarHBondContact O-NE2 3.07Å; S211-H255 PolarHBondContact OG-CD2 3.45Å; G253-H255 PolarHBondContact O-CD2 2.87Å; G253-H255 PolarHBondContact O-N 3.25Å; H255-F257 HydrophobicContact CB-CE2 4.4Å; H255-Q305 WeakPolarHBondContact CA-O 3.37Å; H255-Q305 PolarHBondContact ND1-O 3.06Å
256	E	35.2	Very low	45.1	Very low	101 Å²	101	74.1 Å²	74.1	47%	0.472	39%	0.386	S	S	.	.			trans	-103.5	114.3	168.1	-160.4	-176.7	-165.9	0	0	108	K258 Y306	E256-K258 VanDerWaalsContact CD-CE 3.49Å; E256-K258 PolarHBondContact O-N 2.92Å; E256-K258 WeakPolarHBondContact OE2-CE 3.29Å; E256-K258 IonicContact OE2-NZ 3.74Å; E256-K258 PolarHBondContact OE2-NZ 3.31Å; E256-Y306 WeakPolarHBondContact O-CB 3.1Å
257	F	38.9	Very low	45.6	Very low	87 Å²	87	77.3 Å²	77.3	38%	0.382	40%	0.398	S	S	.	.			trans	-77.9	107.3	178.8	-70.6	-94.6	0	0	0	109.9	L190 H255 L307	L190-F257 HydrophobicContact CD1-CZ 3.98Å; L190-F257 HydrophobicContact CD2-CE2 4.27Å; L190-F257 HydrophobicContact CD2-CZ 3.98Å; H255-F257 HydrophobicContact CB-CE2 4.4Å; F257-L307 HydrophobicContact CD1-CB 4.23Å; F257-L307 HydrophobicContact CD1-CD1 4.2Å; F257-L307 HydrophobicContact CE1-CB 4.3Å; F257-L307 HydrophobicContact CE1-CD1 3.44Å; F257-L307 VanDerWaalsContact CE1-CD1 3.44Å; F257-L307 HydrophobicContact CE1-CG 4.47Å; F257-L307 HydrophobicContact CZ-CD1 4.09Å
258	K	39.2	Very low	46.3	Very low	77 Å²	77	76.8 Å²	76.8	34%	0.335	39%	0.388	S	S	.	.			trans	-105.7	111.4	172.7	-72.4	-178.9	177.8	152.9	0	109.7	E256 T260	E256-K258 VanDerWaalsContact CD-CE 3.49Å; E256-K258 PolarHBondContact O-N 2.92Å; E256-K258 WeakPolarHBondContact OE2-CE 3.29Å; E256-K258 IonicContact OE2-NZ 3.74Å; E256-K258 PolarHBondContact OE2-NZ 3.31Å; K258-T260 PolarHBondContact O-N 2.67Å
259	S	40.8	Very low	46.8	Very low	121 Å²	121	75.5 Å²	75.5	85%	0.846	38%	0.381	S	S	*	.			trans	-72.7	27	178	73.9	0	0	0	0	114.1
260	T	48.3	Very low	47.6	Very low	66 Å²	66	74.4 Å²	74.4	41%	0.405	37%	0.373	S	S	.	.			trans	-80.9	122.5	177.3	51	0	0	0	0	109.3	K258 R308	K258-T260 PolarHBondContact O-N 2.67Å; T260-R308 PolarHBondContact OG1-NH1 2.6Å
261	E	52	Low	48.3	Very low	98 Å²	98	81.2 Å²	81.2	46%	0.458	40%	0.398	S	S	.	.			trans	-73.3	137.1	173.7	-62.6	-168.8	158.4	0	0	110.5	K309 K311	E261-K309 WeakPolarHBondContact CA-O 3.43Å; E261-K309 HydrophobicContact CG-CD 4.3Å; E261-K309 IonicContact OE1-NZ 3.74Å; E261-K309 PolarHBondContact OE1-NZ 3.25Å; E261-K311 HydrophobicContact CB-CB 4.4Å
262	E	59.9	Low	49.1	Very low	60 Å²	60	79.9 Å²	79.9	28%	0.28	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.6	175.8	-171.1	174.4	172.7	0	0	110.3	F264 K297 K309 K311	E262-F264 HydrophobicContact CB-CD2 4.44Å; E262-F264 HydrophobicContact CB-CE2 3.72Å; E262-F264 HydrophobicContact CB-CZ 3.99Å; E262-F264 HydrophobicContact CG-CE1 4.38Å; E262-F264 HydrophobicContact CG-CE2 4.05Å; E262-F264 HydrophobicContact CG-CZ 3.88Å; E262-F264 WeakPolarHBondContact O-CD2 3.41Å; E262-F264 PolarHBondContact O-N 2.77Å; E262-K297 IonicContact OE1-NZ 3.56Å; E262-K297 PolarHBondContact OE1-NZ 3.17Å; E262-K297 WeakPolarHBondContact OE2-CE 3.13Å; E262-K297 IonicContact OE2-NZ 2.6Å; E262-K297 PolarHBondContact OE2-NZ 3.06Å; E262-K309 PolarHBondContact N-O 2.71Å; E262-K311 PolarHBondContact O-N 3.26Å
263	N	60.4	Low	50.2	Low	126 Å²	126	72.7 Å²	72.7	67%	0.674	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.5	179	-65.5	-27.4	0	0	0	109.1	K311	N263-K311 WeakPolarHBondContact OD1-CD 3.37Å
264	F	59.5	Low	50.9	Low	30 Å²	30	72.5 Å²	72.5	13%	0.132	36%	0.355	C	S	.	.			trans	-104	146.5	167.4	-63.3	-76.5	0	0	0	109.3	E262 T268 I269 W272 C295 A310	E262-F264 HydrophobicContact CB-CD2 4.44Å; E262-F264 HydrophobicContact CB-CE2 3.72Å; E262-F264 HydrophobicContact CB-CZ 3.99Å; E262-F264 HydrophobicContact CG-CE1 4.38Å; E262-F264 HydrophobicContact CG-CE2 4.05Å; E262-F264 HydrophobicContact CG-CZ 3.88Å; E262-F264 WeakPolarHBondContact O-CD2 3.41Å; E262-F264 PolarHBondContact O-N 2.77Å; F264-T268 HydrophobicContact CD1-CG2 4.25Å; F264-I269 HydrophobicContact CB-CD1 4.13Å; F264-I269 HydrophobicContact CB-CG1 3.88Å; F264-W272 HydrophobicContact CB-CZ3 4.42Å; F264-W272 AromaticContact CD1-CH2 3.34Å; F264-W272 HydrophobicContact CD1-CH2 3.34Å; F264-W272 HydrophobicContact CD1-CZ2 4.27Å; F264-W272 AromaticContact CD1-CZ3 3.82Å; F264-W272 HydrophobicContact CD1-CZ3 3.82Å; F264-W272 HydrophobicContact CD2-CH2 4.35Å; F264-W272 HydrophobicContact CD2-CZ3 4.12Å; F264-W272 AromaticContact CE1-CH2 3.37Å; F264-W272 HydrophobicContact CE1-CH2 3.37Å; F264-W272 HydrophobicContact CE1-CZ2 4.31Å; F264-W272 HydrophobicContact CE1-CZ3 4.11Å; F264-W272 HydrophobicContact CE2-CH2 4.33Å; F264-W272 HydrophobicContact CE2-CZ3 4.34Å; F264-W272 AromaticContact CG-CH2 3.87Å; F264-W272 HydrophobicContact CG-CH2 3.87Å; F264-W272 AromaticContact CG-CZ3 3.83Å; F264-W272 HydrophobicContact CG-CZ3 3.83Å; F264-W272 AromaticContact CZ-CH2 3.87Å; F264-W272 HydrophobicContact CZ-CH2 3.87Å; F264-W272 HydrophobicContact CZ-CZ3 4.33Å; F264-C295 VanDerWaalsContact CZ-SG 3.55Å; F264-A310 HydrophobicContact CD2-CB 3.52Å; F264-A310 HydrophobicContact CE2-CB 4.09Å
265	S	61.9	Low	51.5	Low	62 Å²	62	64 Å²	64	43%	0.434	33%	0.327	S	S	.	.			trans	-67.7	149.8	171.8	76.9	0	0	0	0	109.4	E267 T268 I269	S265-E267 PolarHBondContact O-N 2.77Å; S265-T268 WeakPolarHBondContact O-CB 3.43Å; S265-T268 PolarHBondContact O-N 3.23Å; S265-T268 VanDerWaalsContact O-N 3.08Å; S265-T268 PolarHBondContact OG-N 2.7Å; S265-T268 PolarHBondContact OG-OG1 2.9Å; S265-I269 PolarHBondContact O-N 2.9Å; S265-I269 VanDerWaalsContact O-N 3.12Å
266	N	57	Low	51.9	Low	36 Å²	36	64.2 Å²	64.2	19%	0.193	34%	0.341	C	S	.	.	H	α-helix	trans	-54.8	-37	173.8	-72.3	-11.7	0	0	0	111.1	I269 L270 M315 L320	N266-I269 PolarHBondContact O-N 2.85Å; N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 WeakPolarHBondContact O-CG 3.22Å; N266-L270 PolarHBondContact O-N 3.25Å; N266-M315 PolarHBondContact ND2-SD 2.71Å; N266-M315 VanDerWaalsContact ND2-SD 3.44Å; N266-L320 HydrophobicContact CB-CD2 3.83Å
267	E	56.2	Low	52.5	Low	110 Å²	110	61.8 Å²	61.8	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-41.1	177.3	-169.1	-178.6	176.7	0	0	112.8	S265 L270 R271	S265-E267 PolarHBondContact O-N 2.77Å; E267-L270 WeakPolarHBondContact O-CB 3.27Å; E267-L270 PolarHBondContact O-N 2.77Å; E267-R271 WeakPolarHBondContact O-CG 3.34Å; E267-R271 PolarHBondContact O-N 2.88Å; E267-R271 IonicContact OE1-CZ 3.54Å; E267-R271 IonicContact OE1-NE 2.77Å; E267-R271 PolarHBondContact OE1-NE 3.05Å; E267-R271 IonicContact OE1-NH2 2.93Å; E267-R271 PolarHBondContact OE1-NH2 3.15Å
268	T	55.6	Low	52.8	Low	47 Å²	47	60.1 Å²	60.1	29%	0.288	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.2	-63	0	0	0	0	111	F264 S265 L270 R271 W272	F264-T268 HydrophobicContact CD1-CG2 4.25Å; S265-T268 WeakPolarHBondContact O-CB 3.43Å; S265-T268 PolarHBondContact O-N 3.23Å; S265-T268 VanDerWaalsContact O-N 3.08Å; S265-T268 PolarHBondContact OG-N 2.7Å; S265-T268 PolarHBondContact OG-OG1 2.9Å; T268-L270 VanDerWaalsContact C-N 3.32Å; T268-L270 PolarHBondContact O-N 2.83Å; T268-R271 PolarHBondContact O-N 2.79Å; T268-W272 HydrophobicContact CG2-CD2 3.81Å; T268-W272 HydrophobicContact CG2-CE3 4.08Å; T268-W272 HydrophobicContact CG2-CH2 3.66Å; T268-W272 HydrophobicContact CG2-CZ2 3.29Å; T268-W272 HydrophobicContact CG2-CZ3 4.01Å; T268-W272 PolarHBondContact O-N 2.98Å
269	I	55.7	Low	52.9	Low	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-40.6	177.5	-61.2	169.3	0	0	0	110.7	F264 S265 N266 W272 I273 M286 V293 A310 M312 L320	F264-I269 HydrophobicContact CB-CD1 4.13Å; F264-I269 HydrophobicContact CB-CG1 3.88Å; S265-I269 PolarHBondContact O-N 2.9Å; S265-I269 VanDerWaalsContact O-N 3.12Å; N266-I269 PolarHBondContact O-N 2.85Å; I269-W272 PolarHBondContact O-N 2.9Å; I269-I273 HydrophobicContact CG2-CD1 4.09Å; I269-I273 WeakPolarHBondContact O-CG1 3.3Å; I269-I273 PolarHBondContact O-N 3.23Å; I269-M286 HydrophobicContact CG2-SD 4.33Å; I269-V293 HydrophobicContact CG2-CG1 4.28Å; I269-V293 HydrophobicContact CG2-CG2 4.16Å; I269-A310 HydrophobicContact CD1-CB 4.39Å; I269-M312 HydrophobicContact CD1-SD 3.89Å; I269-L320 HydrophobicContact CB-CD1 4.01Å; I269-L320 HydrophobicContact CD1-CD1 4.23Å; I269-L320 HydrophobicContact CG2-CD1 3.59Å
270	L	55.9	Low	52.7	Low	32 Å²	32	55.5 Å²	55.5	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-49.6	175.8	-74.6	169	0	0	0	112.4	N266 E267 T268 W272 I273 A274 L320 Q323 A324	N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 WeakPolarHBondContact O-CG 3.22Å; N266-L270 PolarHBondContact O-N 3.25Å; E267-L270 WeakPolarHBondContact O-CB 3.27Å; E267-L270 PolarHBondContact O-N 2.77Å; T268-L270 VanDerWaalsContact C-N 3.32Å; T268-L270 PolarHBondContact O-N 2.83Å; L270-W272 PolarHBondContact O-N 3.23Å; L270-I273 PolarHBondContact O-N 3.11Å; L270-A274 VanDerWaalsContact O-CB 3.3Å; L270-A274 WeakPolarHBondContact O-CB 3.3Å; L270-A274 PolarHBondContact O-N 2.52Å; L270-L320 HydrophobicContact CD1-CD2 4.4Å; L270-L320 HydrophobicContact CD2-CB 3.94Å; L270-L320 HydrophobicContact CD2-CD2 4.15Å; L270-L320 WeakPolarHBondContact CD2-O 3.4Å; L270-L320 HydrophobicContact CG-CD2 4.1Å; L270-Q323 HydrophobicContact CD1-CB 4.38Å; L270-Q323 HydrophobicContact CD2-CB 3.68Å; L270-A324 HydrophobicContact CD2-CB 3.87Å
271	R	54.9	Low	52	Low	166 Å²	166	62.5 Å²	62.5	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-59.7	-33.3	177.3	-72.9	-179.8	-171.9	-170.8	3.1	111.5	E267 T268 S275	E267-R271 WeakPolarHBondContact O-CG 3.34Å; E267-R271 PolarHBondContact O-N 2.88Å; E267-R271 IonicContact OE1-CZ 3.54Å; E267-R271 IonicContact OE1-NE 2.77Å; E267-R271 PolarHBondContact OE1-NE 3.05Å; E267-R271 IonicContact OE1-NH2 2.93Å; E267-R271 PolarHBondContact OE1-NH2 3.15Å; T268-R271 PolarHBondContact O-N 2.79Å; R271-S275 WeakPolarHBondContact O-CB 3.39Å; R271-S275 PolarHBondContact O-N 2.89Å; R271-S275 PolarHBondContact O-OG 3.06Å
272	W	54.8	Low	51.2	Low	37 Å²	37	61.6 Å²	61.6	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-74.8	-42.4	177.2	-66.1	-19.3	0	0	0	114.1	F264 T268 I269 L270 A274 S275 G276 M286 C295	F264-W272 HydrophobicContact CB-CZ3 4.42Å; F264-W272 AromaticContact CD1-CH2 3.34Å; F264-W272 HydrophobicContact CD1-CH2 3.34Å; F264-W272 HydrophobicContact CD1-CZ2 4.27Å; F264-W272 AromaticContact CD1-CZ3 3.82Å; F264-W272 HydrophobicContact CD1-CZ3 3.82Å; F264-W272 HydrophobicContact CD2-CH2 4.35Å; F264-W272 HydrophobicContact CD2-CZ3 4.12Å; F264-W272 AromaticContact CE1-CH2 3.37Å; F264-W272 HydrophobicContact CE1-CH2 3.37Å; F264-W272 HydrophobicContact CE1-CZ2 4.31Å; F264-W272 HydrophobicContact CE1-CZ3 4.11Å; F264-W272 HydrophobicContact CE2-CH2 4.33Å; F264-W272 HydrophobicContact CE2-CZ3 4.34Å; F264-W272 AromaticContact CG-CH2 3.87Å; F264-W272 HydrophobicContact CG-CH2 3.87Å; F264-W272 AromaticContact CG-CZ3 3.83Å; F264-W272 HydrophobicContact CG-CZ3 3.83Å; F264-W272 AromaticContact CZ-CH2 3.87Å; F264-W272 HydrophobicContact CZ-CH2 3.87Å; F264-W272 HydrophobicContact CZ-CZ3 4.33Å; T268-W272 HydrophobicContact CG2-CD2 3.81Å; T268-W272 HydrophobicContact CG2-CE3 4.08Å; T268-W272 HydrophobicContact CG2-CH2 3.66Å; T268-W272 HydrophobicContact CG2-CZ2 3.29Å; T268-W272 HydrophobicContact CG2-CZ3 4.01Å; T268-W272 PolarHBondContact O-N 2.98Å; I269-W272 PolarHBondContact O-N 2.9Å; L270-W272 PolarHBondContact O-N 3.23Å; W272-A274 PolarHBondContact O-N 3.03Å; W272-S275 WeakPolarHBondContact CA-OG 3.35Å; W272-S275 PolarHBondContact O-N 2.88Å; W272-S275 PolarHBondContact O-OG 2.89Å; W272-S275 VanDerWaalsContact O-OG 3.09Å; W272-G276 PolarHBondContact O-N 3.35Å; W272-M286 HydrophobicContact CB-CB 4.11Å; W272-M286 HydrophobicContact CB-CG 4.22Å; W272-M286 HydrophobicContact CB-SD 3.5Å; W272-M286 VanDerWaalsContact CB-SD 3.5Å; W272-M286 HydrophobicContact CE3-CG 4.4Å; W272-M286 HydrophobicContact CE3-SD 4.15Å; W272-C295 HydrophobicContact CE3-CB 4.42Å; W272-C295 HydrophobicContact CH2-CB 4.01Å; W272-C295 HydrophobicContact CZ3-CB 3.78Å
273	I	53.4	Low	50.1	Low	5 Å²	5	61.6 Å²	61.6	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-55.4	-46.7	170.1	-66.9	165.5	0	0	0	109.2	I269 L270 W277 M286 L317 L320 A324	I269-I273 HydrophobicContact CG2-CD1 4.09Å; I269-I273 WeakPolarHBondContact O-CG1 3.3Å; I269-I273 PolarHBondContact O-N 3.23Å; L270-I273 PolarHBondContact O-N 3.11Å; I273-W277 HydrophobicContact CG2-CD2 3.99Å; I273-W277 HydrophobicContact CG2-CE3 4.06Å; I273-W277 HydrophobicContact CG2-CH2 3.73Å; I273-W277 HydrophobicContact CG2-CZ2 3.63Å; I273-W277 HydrophobicContact CG2-CZ3 3.93Å; I273-W277 WeakPolarHBondContact O-CB 3.19Å; I273-W277 VanDerWaalsContact O-CG 3.26Å; I273-W277 PolarHBondContact O-N 3.44Å; I273-M286 HydrophobicContact CB-CE 4.13Å; I273-M286 HydrophobicContact CD1-CE 4.35Å; I273-M286 HydrophobicContact CG1-CE 3.22Å; I273-M286 HydrophobicContact CG1-SD 4.09Å; I273-L317 HydrophobicContact CD1-CD1 4.45Å; I273-L320 HydrophobicContact CD1-CB 4.03Å; I273-A324 HydrophobicContact CB-CB 4.1Å; I273-A324 HydrophobicContact CG2-CB 3.83Å
274	A	51.6	Low	49.1	Very low	15 Å²	15	57 Å²	57	12%	0.124	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-43.5	179	0	0	0	0	0	113.3	L270 W272 A278 F328	L270-A274 VanDerWaalsContact O-CB 3.3Å; L270-A274 WeakPolarHBondContact O-CB 3.3Å; L270-A274 PolarHBondContact O-N 2.52Å; W272-A274 PolarHBondContact O-N 3.03Å; A274-A278 WeakPolarHBondContact O-CB 3.43Å; A274-A278 PolarHBondContact O-N 3.43Å; A274-F328 HydrophobicContact CB-CE2 3.49Å; A274-F328 VanDerWaalsContact CB-CE2 3.49Å; A274-F328 HydrophobicContact CB-CZ 3.56Å
275	S	49.2	Very low	48.6	Very low	23 Å²	23	58.7 Å²	58.7	16%	0.161	35%	0.351	C	S	.	.	H	α-helix	trans	-71.5	-41	179.8	65.7	0	0	0	0	112.7	R271 W272 W277 A278 G279 G280	R271-S275 WeakPolarHBondContact O-CB 3.39Å; R271-S275 PolarHBondContact O-N 2.89Å; R271-S275 PolarHBondContact O-OG 3.06Å; W272-S275 WeakPolarHBondContact CA-OG 3.35Å; W272-S275 PolarHBondContact O-N 2.88Å; W272-S275 PolarHBondContact O-OG 2.89Å; W272-S275 VanDerWaalsContact O-OG 3.09Å; S275-W277 VanDerWaalsContact C-N 3.26Å; S275-W277 PolarHBondContact O-N 2.87Å; S275-A278 PolarHBondContact O-N 2.79Å; S275-G279 PolarHBondContact O-N 2.8Å; S275-G280 PolarHBondContact O-N 2.58Å
276	G	50.3	Low	48	Very low	49 Å²	49	57.3 Å²	57.3	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-37.1	176.1	0	0	0	0	0	112.1	W272	W272-G276 PolarHBondContact O-N 3.35Å
277	W	47.1	Very low	47.6	Very low	50 Å²	50	56.4 Å²	56.4	19%	0.189	33%	0.333	C	S	.	.	H	α-helix	trans	-71.9	-38.2	173.9	-76.4	0.5	0	0	0	113.6	I273 S275 G279 A321 L325 L337 F343 A344	I273-W277 HydrophobicContact CG2-CD2 3.99Å; I273-W277 HydrophobicContact CG2-CE3 4.06Å; I273-W277 HydrophobicContact CG2-CH2 3.73Å; I273-W277 HydrophobicContact CG2-CZ2 3.63Å; I273-W277 HydrophobicContact CG2-CZ3 3.93Å; I273-W277 WeakPolarHBondContact O-CB 3.19Å; I273-W277 VanDerWaalsContact O-CG 3.26Å; I273-W277 PolarHBondContact O-N 3.44Å; S275-W277 VanDerWaalsContact C-N 3.26Å; S275-W277 PolarHBondContact O-N 2.87Å; W277-G279 PolarHBondContact O-N 3.36Å; W277-A321 HydrophobicContact CH2-CB 4.4Å; W277-L325 HydrophobicContact CE3-CD1 4.41Å; W277-L325 HydrophobicContact CH2-CB 4.24Å; W277-L325 HydrophobicContact CZ3-CB 3.78Å; W277-L325 HydrophobicContact CZ3-CD1 3.82Å; W277-L325 HydrophobicContact CZ3-CG 4.29Å; W277-L337 HydrophobicContact CB-CD1 4.19Å; W277-L337 HydrophobicContact CB-CD2 3.59Å; W277-L337 HydrophobicContact CB-CG 4.49Å; W277-L337 HydrophobicContact CE3-CD1 4.23Å; W277-L337 HydrophobicContact CG-CD2 4.36Å; W277-L337 WeakPolarHBondContact O-CD2 3.17Å; W277-F343 AromaticContact CZ2-CD1 3.92Å; W277-F343 HydrophobicContact CZ2-CD1 3.92Å; W277-F343 HydrophobicContact CZ2-CE1 4.1Å; W277-A344 HydrophobicContact CH2-CB 4.11Å; W277-A344 HydrophobicContact CZ2-CB 4.02Å; W277-A344 HydrophobicContact CZ3-CB 4.46Å
278	A	45.5	Very low	47.1	Very low	52 Å²	52	53.4 Å²	53.4	43%	0.43	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	2.6	178.3	0	0	0	0	0	114.3	A274 S275 G280	A274-A278 WeakPolarHBondContact O-CB 3.43Å; A274-A278 PolarHBondContact O-N 3.43Å; S275-A278 PolarHBondContact O-N 2.79Å; A278-G280 PolarHBondContact O-N 2.93Å
279	G	41.4	Very low	46.6	Very low	67 Å²	67	51.8 Å²	51.8	69%	0.691	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	30.3	-172.5	0	0	0	0	0	112.7	S275 W277	S275-G279 PolarHBondContact O-N 2.8Å; W277-G279 PolarHBondContact O-N 3.36Å
280	G	36.6	Very low	46.1	Very low	34 Å²	34	58.5 Å²	58.5	35%	0.351	34%	0.342	S	S	.	.			trans	-71.4	131.6	-166.7	0	0	0	0	0	114.2	S275 A278 T282	S275-G280 PolarHBondContact O-N 2.58Å; A278-G280 PolarHBondContact O-N 2.93Å; G280-T282 PolarHBondContact O-N 3.27Å
281	K	32.9	Very low	45.7	Very low	214 Å²	214	63 Å²	63	93%	0.93	37%	0.367	S	S	*	.			trans	-66.9	7.5	176.2	-63.1	-177.7	176	-177.4	0	115.7	G283	K281-G283 PolarHBondContact O-N 3.34Å
282	T	34.4	Very low	45.4	Very low	78 Å²	78	57.4 Å²	57.4	48%	0.479	35%	0.349	S	S	.	.			trans	-77.5	110.4	-179.4	53.1	0	0	0	0	107.3	G280 S284	G280-T282 PolarHBondContact O-N 3.27Å; T282-S284 PolarHBondContact O-N 3.12Å
283	G	36.9	Very low	45.5	Very low	60 Å²	60	55.7 Å²	55.7	62%	0.619	34%	0.343	S	S	*	.	S	Bend	trans	-62.5	47.9	-172	0	0	0	0	0	117	K281	K281-G283 PolarHBondContact O-N 3.34Å
284	S	41.3	Very low	45.6	Very low	29 Å²	29	57 Å²	57	20%	0.203	35%	0.347	C	S	.	.			trans	-139.7	76.5	170.9	48.8	0	0	0	0	106.3	T282	T282-S284 PolarHBondContact O-N 3.12Å
285	E	48	Very low	45.8	Very low	66 Å²	66	56.3 Å²	56.3	31%	0.308	34%	0.342	S	S	.	.			trans	-68	134.2	174.6	-64.9	-173.9	150.3	0	0	109.3	H251 L296	H251-E285 IonicContact CD2-OE1 3.54Å; H251-E285 IonicContact CD2-OE2 3.44Å; H251-E285 IonicContact NE2-OE1 3.21Å; E285-L296 HydrophobicContact CB-CB 4.46Å; E285-L296 HydrophobicContact CB-CD2 4.48Å; E285-L296 WeakPolarHBondContact O-CB 3.05Å; E285-L296 PolarHBondContact O-N 3.38Å
286	M	49.3	Very low	45.9	Very low	34 Å²	34	56 Å²	56	17%	0.167	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.7	-174.6	-161.5	-165.7	74.2	0	0	110	I269 W272 I273 V288 V293 Y294	I269-M286 HydrophobicContact CG2-SD 4.33Å; W272-M286 HydrophobicContact CB-CB 4.11Å; W272-M286 HydrophobicContact CB-CG 4.22Å; W272-M286 HydrophobicContact CB-SD 3.5Å; W272-M286 VanDerWaalsContact CB-SD 3.5Å; W272-M286 HydrophobicContact CE3-CG 4.4Å; W272-M286 HydrophobicContact CE3-SD 4.15Å; I273-M286 HydrophobicContact CB-CE 4.13Å; I273-M286 HydrophobicContact CD1-CE 4.35Å; I273-M286 HydrophobicContact CG1-CE 3.22Å; I273-M286 HydrophobicContact CG1-SD 4.09Å; M286-V288 HydrophobicContact CE-CG2 3.41Å; M286-V288 VanDerWaalsContact CE-CG2 3.41Å; M286-V293 HydrophobicContact CE-CG1 4.08Å; M286-V293 HydrophobicContact CG-CG1 3.51Å; M286-V293 HydrophobicContact SD-CG1 3.3Å; M286-V293 WeakPolarHBondContact SD-CG1 3.35Å; M286-Y294 CarbonylContact C-O 3.51Å; M286-Y294 VanDerWaalsContact CA-O 3.28Å; M286-Y294 WeakPolarHBondContact CA-O 3.39Å; M286-Y294 WeakPolarHBondContact CG-O 3.38Å
287	M	48.7	Very low	46	Very low	16 Å²	16	56.5 Å²	56.5	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.1	173.3	176.2	179.5	72.8	0	0	110.2	L213 V293 Y294	L213-M287 HydrophobicContact CB-SD 3.98Å; L213-M287 HydrophobicContact CD1-CB 4.08Å; L213-M287 HydrophobicContact CD1-SD 4.18Å; L213-M287 HydrophobicContact CD2-CE 4.05Å; L213-M287 HydrophobicContact CD2-SD 3.64Å; L213-M287 HydrophobicContact CG-SD 4.12Å; M287-V293 CarbonylContact O-C 3.56Å; M287-V293 WeakPolarHBondContact O-CA 3.47Å; M287-Y294 HydrophobicContact CE-CD1 4.4Å; M287-Y294 HydrophobicContact CE-CD2 3.29Å; M287-Y294 HydrophobicContact CE-CE2 3.76Å; M287-Y294 HydrophobicContact CE-CG 3.66Å; M287-Y294 HydrophobicContact CG-CD2 4.49Å; M287-Y294 PolarHBondContact N-O 3.05Å; M287-Y294 PolarHBondContact O-N 3.29Å
288	V	46.1	Very low	46.2	Very low	48 Å²	48	59.1 Å²	59.1	29%	0.291	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.7	174.9	-178.8	0	0	0	0	108.3	M286 L317	M286-V288 HydrophobicContact CE-CG2 3.41Å; M286-V288 VanDerWaalsContact CE-CG2 3.41Å; V288-L317 HydrophobicContact CG1-CD1 3.78Å; V288-L317 HydrophobicContact CG1-CD2 3.2Å; V288-L317 HydrophobicContact CG1-CG 3.93Å; V288-L317 HydrophobicContact CG2-CD1 4.32Å
289	S	45	Very low	46.4	Very low	13 Å²	13	57.8 Å²	57.8	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	118.5	175.2	166.3	0	0	0	0	110.3	N291 N292	S289-N291 VanDerWaalsContact C-N 3.3Å; S289-N291 PolarHBondContact O-N 3.32Å; S289-N292 PolarHBondContact N-O 3.31Å; S289-N292 PolarHBondContact O-N 3.39Å
290	K	44.7	Very low	46.8	Very low	140 Å²	140	59.4 Å²	59.4	61%	0.609	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	-79.8	-175	-75.2	178.4	175.5	161.7	0	114.6	E217 L317	E217-K290 VanDerWaalsContact CD-CE 3.48Å; E217-K290 WeakPolarHBondContact OE1-CE 3.23Å; E217-K290 IonicContact OE1-NZ 2.91Å; E217-K290 PolarHBondContact OE1-NZ 2.92Å; E217-K290 WeakPolarHBondContact OE2-CE 3.5Å; E217-K290 IonicContact OE2-NZ 3.51Å; E217-K290 PolarHBondContact OE2-NZ 3.09Å; K290-L317 WeakPolarHBondContact O-CD2 3.28Å
291	N	48.1	Very low	47.4	Very low	128 Å²	128	66.1 Å²	66.1	68%	0.684	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	2.7	-176.5	-66.9	-28.9	0	0	0	113.9	S289	S289-N291 VanDerWaalsContact C-N 3.3Å; S289-N291 PolarHBondContact O-N 3.32Å
292	N	49.3	Very low	48	Very low	48 Å²	48	60.8 Å²	60.8	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.4	-170.6	-60.2	-51.4	0	0	0	110.4	S289 Y294 K309	S289-N292 PolarHBondContact N-O 3.31Å; S289-N292 PolarHBondContact O-N 3.39Å; N292-Y294 HydrophobicContact CB-CD2 4.32Å; N292-Y294 HydrophobicContact CB-CE2 3.54Å; N292-K309 WeakPolarHBondContact OD1-CE 3.49Å
293	V	56.4	Low	48.7	Very low	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	167.8	173.5	0	0	0	0	107.3	I269 M286 M287 K309 A310 M312 L317	I269-V293 HydrophobicContact CG2-CG1 4.28Å; I269-V293 HydrophobicContact CG2-CG2 4.16Å; M286-V293 HydrophobicContact CE-CG1 4.08Å; M286-V293 HydrophobicContact CG-CG1 3.51Å; M286-V293 HydrophobicContact SD-CG1 3.3Å; M286-V293 WeakPolarHBondContact SD-CG1 3.35Å; M287-V293 CarbonylContact O-C 3.56Å; M287-V293 WeakPolarHBondContact O-CA 3.47Å; V293-K309 CarbonylContact O-C 3.56Å; V293-K309 WeakPolarHBondContact O-CA 3.42Å; V293-A310 HydrophobicContact CB-CB 3.97Å; V293-A310 HydrophobicContact CG1-CB 3.98Å; V293-A310 PolarHBondContact O-N 3.31Å; V293-M312 HydrophobicContact CB-SD 4.13Å; V293-M312 HydrophobicContact CG2-CE 4.44Å; V293-M312 HydrophobicContact CG2-SD 3.62Å; V293-L317 HydrophobicContact CG2-CD1 3.56Å
294	Y	55.3	Low	48.9	Very low	33 Å²	33	55.8 Å²	55.8	13%	0.129	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.7	172.1	-56.6	-96.2	0	0	0	109.1	M286 M287 N292 R308 K309	M286-Y294 CarbonylContact C-O 3.51Å; M286-Y294 VanDerWaalsContact CA-O 3.28Å; M286-Y294 WeakPolarHBondContact CA-O 3.39Å; M286-Y294 WeakPolarHBondContact CG-O 3.38Å; M287-Y294 HydrophobicContact CE-CD1 4.4Å; M287-Y294 HydrophobicContact CE-CD2 3.29Å; M287-Y294 HydrophobicContact CE-CE2 3.76Å; M287-Y294 HydrophobicContact CE-CG 3.66Å; M287-Y294 HydrophobicContact CG-CD2 4.49Å; M287-Y294 PolarHBondContact N-O 3.05Å; M287-Y294 PolarHBondContact O-N 3.29Å; N292-Y294 HydrophobicContact CB-CD2 4.32Å; N292-Y294 HydrophobicContact CB-CE2 3.54Å; Y294-R308 CarbonylContact C-O 3.58Å; Y294-R308 WeakPolarHBondContact CA-O 3.41Å; Y294-K309 HydrophobicContact CD1-CB 4.02Å; Y294-K309 HydrophobicContact CE1-CB 3.9Å; Y294-K309 HydrophobicContact CE1-CG 4.15Å
295	C	54.8	Low	49.1	Very low	1 Å²	1	55.1 Å²	55.1	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.2	170.1	61.6	0	0	0	0	110	F264 W272 L307 R308	F264-C295 VanDerWaalsContact CZ-SG 3.55Å; W272-C295 HydrophobicContact CE3-CB 4.42Å; W272-C295 HydrophobicContact CH2-CB 4.01Å; W272-C295 HydrophobicContact CZ3-CB 3.78Å; C295-L307 WeakPolarHBondContact O-CA 3.41Å; C295-R308 PolarHBondContact N-O 3.21Å; C295-R308 PolarHBondContact O-N 3.44Å
296	L	52.5	Low	49.2	Very low	16 Å²	16	53 Å²	53	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.9	163.7	-167.5	70	0	0	0	108	H251 E285 Q305 L307	H251-L296 HydrophobicContact CB-CD2 4.22Å; E285-L296 HydrophobicContact CB-CB 4.46Å; E285-L296 HydrophobicContact CB-CD2 4.48Å; E285-L296 WeakPolarHBondContact O-CB 3.05Å; E285-L296 PolarHBondContact O-N 3.38Å; L296-Q305 HydrophobicContact CD1-CB 3.97Å; L296-Q305 HydrophobicContact CG-CB 4.32Å; L296-L307 HydrophobicContact CD1-CD2 4.39Å; L296-L307 HydrophobicContact CD1-CG 4.29Å
297	K	52.2	Low	49.2	Very low	60 Å²	60	52 Å²	52	26%	0.261	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.9	175.6	-95.8	-165.1	169.7	-171.5	0	110.4	E262 Q305 Y306	E262-K297 IonicContact OE1-NZ 3.56Å; E262-K297 PolarHBondContact OE1-NZ 3.17Å; E262-K297 WeakPolarHBondContact OE2-CE 3.13Å; E262-K297 IonicContact OE2-NZ 2.6Å; E262-K297 PolarHBondContact OE2-NZ 3.06Å; K297-Q305 CarbonylContact O-C 3.48Å; K297-Q305 VanDerWaalsContact O-CA 3.23Å; K297-Q305 WeakPolarHBondContact O-CA 3.39Å; K297-Y306 HydrophobicContact CB-CD2 3.76Å; K297-Y306 HydrophobicContact CB-CE1 4.4Å; K297-Y306 HydrophobicContact CB-CE2 3.18Å; K297-Y306 HydrophobicContact CD-CE2 3.79Å; K297-Y306 HydrophobicContact CG-CE2 4.09Å; K297-Y306 PolarHBondContact N-O 2.66Å; K297-Y306 PolarHBondContact O-N 2.94Å
298	H	51.5	Low	49.6	Very low	104 Å²	104	53.7 Å²	53.7	48%	0.481	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.9	173	-167.1	-88.8	0	0	0	110.2	P300 G303 A304	H298-P300 WeakPolarHBondContact O-CD 3.27Å; H298-G303 VanDerWaalsContact CE1-CA 3.48Å; H298-G303 WeakPolarHBondContact CE1-CA 3.4Å; H298-G303 WeakPolarHBondContact NE2-CA 3.43Å; H298-A304 CarbonylContact C-O 3.48Å
299	D	49.2	Very low	50.3	Low	25 Å²	25	54.4 Å²	54.4	13%	0.134	27%	0.274	C	S	.	.			trans	-76.1	112.8	164.7	-172.6	-27.8	0	0	0	108	H301 N302 G303 A304 Y306	D299-H301 PolarHBondContact O-N 3.32Å; D299-H301 WeakPolarHBondContact OD1-CB 3.4Å; D299-H301 IonicContact OD1-CD2 3.76Å; D299-H301 IonicContact OD1-CG 2.74Å; D299-H301 PolarHBondContact OD1-N 3.29Å; D299-N302 WeakPolarHBondContact CB-OD1 3.39Å; D299-N302 PolarHBondContact OD2-ND2 3.2Å; D299-N302 VanDerWaalsContact OD2-ND2 3.08Å; D299-N302 PolarHBondContact OD2-OD1 2.87Å; D299-G303 WeakPolarHBondContact O-CA 3.37Å; D299-G303 PolarHBondContact O-N 3.19Å; D299-A304 HydrophobicContact CB-CB 4.17Å; D299-A304 WeakPolarHBondContact CB-O 3.45Å; D299-A304 PolarHBondContact N-O 3.21Å; D299-Y306 HydrophobicContact CB-CD1 4.26Å; D299-Y306 HydrophobicContact CB-CE1 3.8Å
300	P	50.2	Low	51	Low	101 Å²	101	53.9 Å²	53.9	66%	0.656	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.3	-178.2	27.9	-34.1	0	0	0	113	H298	H298-P300 WeakPolarHBondContact O-CD 3.27Å
301	H	49.4	Very low	51.8	Low	175 Å²	175	52.2 Å²	52.2	81%	0.81	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-33	-173.3	-60.5	-69	0	0	0	113.7	D299	D299-H301 PolarHBondContact O-N 3.32Å; D299-H301 WeakPolarHBondContact OD1-CB 3.4Å; D299-H301 IonicContact OD1-CD2 3.76Å; D299-H301 IonicContact OD1-CG 2.74Å; D299-H301 PolarHBondContact OD1-N 3.29Å
302	N	45.8	Very low	52.5	Low	102 Å²	102	48.1 Å²	48.1	55%	0.545	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.5	-175.2	63.9	21	0	0	0	114	D299 A304	D299-N302 WeakPolarHBondContact CB-OD1 3.39Å; D299-N302 PolarHBondContact OD2-ND2 3.2Å; D299-N302 VanDerWaalsContact OD2-ND2 3.08Å; D299-N302 PolarHBondContact OD2-OD1 2.87Å; N302-A304 PolarHBondContact O-N 2.87Å; N302-A304 WeakPolarHBondContact OD1-CA 3.37Å; N302-A304 WeakPolarHBondContact OD1-CB 3.14Å; N302-A304 PolarHBondContact OD1-N 3.44Å
303	G	47.6	Very low	53.2	Low	26 Å²	26	47.4 Å²	47.4	27%	0.268	25%	0.245	S	C	.	.			trans	72.9	4.2	-177.7	0	0	0	0	0	114.9	H298 D299	H298-G303 VanDerWaalsContact CE1-CA 3.48Å; H298-G303 WeakPolarHBondContact CE1-CA 3.4Å; H298-G303 WeakPolarHBondContact NE2-CA 3.43Å; D299-G303 WeakPolarHBondContact O-CA 3.37Å; D299-G303 PolarHBondContact O-N 3.19Å
304	A	40.8	Very low	53.4	Low	6 Å²	6	53.9 Å²	53.9	5%	0.05	29%	0.286	C	S	.	.			trans	-66.7	144.4	177.5	0	0	0	0	0	109.9	R254 H298 D299 N302	R254-A304 HydrophobicContact CB-CB 4.28Å; R254-A304 CarbonylContact O-C 3.52Å; R254-A304 VanDerWaalsContact O-CA 3.24Å; R254-A304 WeakPolarHBondContact O-CA 3.47Å; R254-A304 VanDerWaalsContact O-CB 3.28Å; R254-A304 WeakPolarHBondContact O-CB 3.16Å; H298-A304 CarbonylContact C-O 3.48Å; D299-A304 HydrophobicContact CB-CB 4.17Å; D299-A304 WeakPolarHBondContact CB-O 3.45Å; D299-A304 PolarHBondContact N-O 3.21Å; N302-A304 PolarHBondContact O-N 2.87Å; N302-A304 WeakPolarHBondContact OD1-CA 3.37Å; N302-A304 WeakPolarHBondContact OD1-CB 3.14Å; N302-A304 PolarHBondContact OD1-N 3.44Å
305	Q	46.6	Very low	53.7	Low	15 Å²	15	54.9 Å²	54.9	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116	177	-69.3	-178.5	2.4	0	0	109.1	H251 F252 R254 H255 L296 K297	H251-Q305 PolarHBondContact O-OE1 3.34Å; F252-Q305 PolarHBondContact O-NE2 3.08Å; R254-Q305 PolarHBondContact O-N 2.84Å; H255-Q305 WeakPolarHBondContact CA-O 3.37Å; H255-Q305 PolarHBondContact ND1-O 3.06Å; L296-Q305 HydrophobicContact CD1-CB 3.97Å; L296-Q305 HydrophobicContact CG-CB 4.32Å; K297-Q305 CarbonylContact O-C 3.48Å; K297-Q305 VanDerWaalsContact O-CA 3.23Å; K297-Q305 WeakPolarHBondContact O-CA 3.39Å
306	Y	50.5	Low	54.1	Low	22 Å²	22	57.6 Å²	57.6	9%	0.086	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.9	-177	51.5	-98.4	0	0	0	111.1	E256 K297 D299 R308	E256-Y306 WeakPolarHBondContact O-CB 3.1Å; K297-Y306 HydrophobicContact CB-CD2 3.76Å; K297-Y306 HydrophobicContact CB-CE1 4.4Å; K297-Y306 HydrophobicContact CB-CE2 3.18Å; K297-Y306 HydrophobicContact CD-CE2 3.79Å; K297-Y306 HydrophobicContact CG-CE2 4.09Å; K297-Y306 PolarHBondContact N-O 2.66Å; K297-Y306 PolarHBondContact O-N 2.94Å; D299-Y306 HydrophobicContact CB-CD1 4.26Å; D299-Y306 HydrophobicContact CB-CE1 3.8Å; Y306-R308 HydrophobicContact CD2-CG 3.44Å; Y306-R308 VanDerWaalsContact CD2-CG 3.44Å; Y306-R308 HydrophobicContact CE2-CG 3.54Å
307	L	49.2	Very low	54.3	Low	13 Å²	13	57.3 Å²	57.3	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.9	171.6	-78.6	155.6	0	0	0	109.6	L213 F257 C295 L296	L213-L307 HydrophobicContact CD1-CD1 3.69Å; L213-L307 HydrophobicContact CD1-CD2 3.4Å; L213-L307 HydrophobicContact CD1-CG 4.08Å; L213-L307 HydrophobicContact CD2-CD1 3.36Å; L213-L307 HydrophobicContact CG-CD1 3.94Å; F257-L307 HydrophobicContact CD1-CB 4.23Å; F257-L307 HydrophobicContact CD1-CD1 4.2Å; F257-L307 HydrophobicContact CE1-CB 4.3Å; F257-L307 HydrophobicContact CE1-CD1 3.44Å; F257-L307 VanDerWaalsContact CE1-CD1 3.44Å; F257-L307 HydrophobicContact CE1-CG 4.47Å; F257-L307 HydrophobicContact CZ-CD1 4.09Å; C295-L307 WeakPolarHBondContact O-CA 3.41Å; L296-L307 HydrophobicContact CD1-CD2 4.39Å; L296-L307 HydrophobicContact CD1-CG 4.29Å
308	R	57.2	Low	54.5	Low	52 Å²	52	59.8 Å²	59.8	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.8	170.5	-60.9	-143.8	177.4	-166.2	12.4	110.9	T260 Y294 C295 Y306 A310	T260-R308 PolarHBondContact OG1-NH1 2.6Å; Y294-R308 CarbonylContact C-O 3.58Å; Y294-R308 WeakPolarHBondContact CA-O 3.41Å; C295-R308 PolarHBondContact N-O 3.21Å; C295-R308 PolarHBondContact O-N 3.44Å; Y306-R308 HydrophobicContact CD2-CG 3.44Å; Y306-R308 VanDerWaalsContact CD2-CG 3.44Å; Y306-R308 HydrophobicContact CE2-CG 3.54Å; R308-A310 PolarHBondContact O-N 2.87Å
309	K	59.1	Low	55	Low	62 Å²	62	59.3 Å²	59.3	27%	0.27	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.3	170.2	-172.6	-174.3	175.6	-153.5	0	108.8	E261 E262 N292 V293 Y294	E261-K309 WeakPolarHBondContact CA-O 3.43Å; E261-K309 HydrophobicContact CG-CD 4.3Å; E261-K309 IonicContact OE1-NZ 3.74Å; E261-K309 PolarHBondContact OE1-NZ 3.25Å; E262-K309 PolarHBondContact N-O 2.71Å; N292-K309 WeakPolarHBondContact OD1-CE 3.49Å; V293-K309 CarbonylContact O-C 3.56Å; V293-K309 WeakPolarHBondContact O-CA 3.42Å; Y294-K309 HydrophobicContact CD1-CB 4.02Å; Y294-K309 HydrophobicContact CE1-CB 3.9Å; Y294-K309 HydrophobicContact CE1-CG 4.15Å
310	A	60.8	Low	55.6	Low	2 Å²	2	58.1 Å²	58.1	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.9	170.6	0	0	0	0	0	109.3	F264 I269 V293 R308 M312	F264-A310 HydrophobicContact CD2-CB 3.52Å; F264-A310 HydrophobicContact CE2-CB 4.09Å; I269-A310 HydrophobicContact CD1-CB 4.39Å; V293-A310 HydrophobicContact CB-CB 3.97Å; V293-A310 HydrophobicContact CG1-CB 3.98Å; V293-A310 PolarHBondContact O-N 3.31Å; R308-A310 PolarHBondContact O-N 2.87Å; A310-M312 PolarHBondContact O-N 3.22Å
311	K	62.4	Low	56.1	Low	106 Å²	106	53.3 Å²	53.3	46%	0.461	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	112.3	167.7	-163.6	-179.3	-170.3	174.2	0	107.8	E261 E262 N263	E261-K311 HydrophobicContact CB-CB 4.4Å; E262-K311 PolarHBondContact O-N 3.26Å; N263-K311 WeakPolarHBondContact OD1-CD 3.37Å
312	M	60.9	Low	56.7	Low	42 Å²	42	46 Å²	46	21%	0.207	25%	0.25	C	C	.	.			trans	-69.7	138.9	177	-63.1	-72.1	-69.8	0	0	109.3	I269 V293 A310 L317 L320	I269-M312 HydrophobicContact CD1-SD 3.89Å; V293-M312 HydrophobicContact CB-SD 4.13Å; V293-M312 HydrophobicContact CG2-CE 4.44Å; V293-M312 HydrophobicContact CG2-SD 3.62Å; A310-M312 PolarHBondContact O-N 3.22Å; M312-L317 VanDerWaalsContact CE-CA 3.45Å; M312-L317 HydrophobicContact CE-CB 3.83Å; M312-L317 HydrophobicContact CE-CD1 4.48Å; M312-L320 HydrophobicContact CE-CD1 3.4Å; M312-L320 HydrophobicContact CE-CG 4.18Å; M312-L320 HydrophobicContact SD-CD1 4.15Å
313	G	63.9	Low	57.6	Low	33 Å²	33	45.5 Å²	45.5	34%	0.34	24%	0.244	S	C	.	.			trans	-68.2	-164.8	167.9	0	0	0	0	0	112	M315	G313-M315 PolarHBondContact O-N 3.07Å
314	P	62.6	Low	58.4	Low	135 Å²	135	44.3 Å²	44.3	88%	0.877	23%	0.232	S	C	*	.	S	Bend	trans	-64.9	-13.6	-179.7	27.6	-35.5	0	0	0	113.7
315	M	60.8	Low	59.4	Low	55 Å²	55	44 Å²	44	27%	0.271	23%	0.23	S	C	.	.	S	Bend	trans	-83.9	131.6	177.2	-64.9	-175.5	-159.5	0	0	110.5	N266 G313 M319 L320	N266-M315 PolarHBondContact ND2-SD 2.71Å; N266-M315 VanDerWaalsContact ND2-SD 3.44Å; G313-M315 PolarHBondContact O-N 3.07Å; M315-M319 HydrophobicContact CB-CB 4.32Å; M315-M319 HydrophobicContact CG-CE 4.27Å; M315-L320 HydrophobicContact CB-CD2 4Å; M315-L320 HydrophobicContact CB-CG 4.27Å; M315-L320 HydrophobicContact SD-CD2 3.84Å
316	S	62.3	Low	60.3	Low	57 Å²	57	45.5 Å²	45.5	40%	0.399	24%	0.244	S	C	.	.			trans	-65.3	155	171.4	67.5	0	0	0	0	111.1	K318 M319 L320	S316-K318 PolarHBondContact O-N 3.38Å; S316-M319 WeakPolarHBondContact O-CA 3.16Å; S316-M319 WeakPolarHBondContact O-CB 3.18Å; S316-M319 PolarHBondContact O-N 3.17Å; S316-M319 WeakPolarHBondContact OG-CG 2.89Å; S316-M319 PolarHBondContact OG-N 3.12Å; S316-L320 PolarHBondContact O-N 3.41Å
317	L	56.9	Low	61	Low	10 Å²	10	48.4 Å²	48.4	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-53.1	-37.2	171.1	172.4	63.2	0	0	0	112.5	I273 V288 K290 V293 M312 M319 L320 A321	I273-L317 HydrophobicContact CD1-CD1 4.45Å; V288-L317 HydrophobicContact CG1-CD1 3.78Å; V288-L317 HydrophobicContact CG1-CD2 3.2Å; V288-L317 HydrophobicContact CG1-CG 3.93Å; V288-L317 HydrophobicContact CG2-CD1 4.32Å; K290-L317 WeakPolarHBondContact O-CD2 3.28Å; V293-L317 HydrophobicContact CG2-CD1 3.56Å; M312-L317 VanDerWaalsContact CE-CA 3.45Å; M312-L317 HydrophobicContact CE-CB 3.83Å; M312-L317 HydrophobicContact CE-CD1 4.48Å; L317-M319 VanDerWaalsContact C-N 3.35Å; L317-M319 PolarHBondContact O-N 3.05Å; L317-L320 PolarHBondContact O-N 3.03Å; L317-A321 WeakPolarHBondContact O-CB 3.3Å; L317-A321 PolarHBondContact O-N 3.31Å
318	K	57	Low	61.5	Low	113 Å²	113	48.6 Å²	48.6	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-56.6	-49.2	173	-172.9	-179.5	179.4	-177.3	0	110.6	S316 L320 A321 L322	S316-K318 PolarHBondContact O-N 3.38Å; K318-L320 PolarHBondContact O-N 2.95Å; K318-A321 PolarHBondContact O-N 3.17Å; K318-L322 HydrophobicContact CG-CD1 4.19Å; K318-L322 WeakPolarHBondContact O-CG 3.49Å; K318-L322 PolarHBondContact O-N 3.22Å
319	M	61.9	Low	61.6	Low	93 Å²	93	52.3 Å²	52.3	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-40.7	178.8	-69.3	172.1	72.2	0	0	112.9	M315 S316 L317 L322 Q323	M315-M319 HydrophobicContact CB-CB 4.32Å; M315-M319 HydrophobicContact CG-CE 4.27Å; S316-M319 WeakPolarHBondContact O-CA 3.16Å; S316-M319 WeakPolarHBondContact O-CB 3.18Å; S316-M319 PolarHBondContact O-N 3.17Å; S316-M319 WeakPolarHBondContact OG-CG 2.89Å; S316-M319 PolarHBondContact OG-N 3.12Å; L317-M319 VanDerWaalsContact C-N 3.35Å; L317-M319 PolarHBondContact O-N 3.05Å; M319-L322 PolarHBondContact O-N 3.49Å; M319-Q323 PolarHBondContact O-N 3.33Å
320	L	61.2	Low	61.7	Low	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-45.5	176.6	-63.8	-174.8	0	0	0	111.3	N266 I269 L270 I273 M312 M315 S316 L317 K318 L322 Q323 A324	N266-L320 HydrophobicContact CB-CD2 3.83Å; I269-L320 HydrophobicContact CB-CD1 4.01Å; I269-L320 HydrophobicContact CD1-CD1 4.23Å; I269-L320 HydrophobicContact CG2-CD1 3.59Å; L270-L320 HydrophobicContact CD1-CD2 4.4Å; L270-L320 HydrophobicContact CD2-CB 3.94Å; L270-L320 HydrophobicContact CD2-CD2 4.15Å; L270-L320 WeakPolarHBondContact CD2-O 3.4Å; L270-L320 HydrophobicContact CG-CD2 4.1Å; I273-L320 HydrophobicContact CD1-CB 4.03Å; M312-L320 HydrophobicContact CE-CD1 3.4Å; M312-L320 HydrophobicContact CE-CG 4.18Å; M312-L320 HydrophobicContact SD-CD1 4.15Å; M315-L320 HydrophobicContact CB-CD2 4Å; M315-L320 HydrophobicContact CB-CG 4.27Å; M315-L320 HydrophobicContact SD-CD2 3.84Å; S316-L320 PolarHBondContact O-N 3.41Å; L317-L320 PolarHBondContact O-N 3.03Å; K318-L320 PolarHBondContact O-N 2.95Å; L320-L322 VanDerWaalsContact C-N 3.27Å; L320-L322 PolarHBondContact O-N 3.49Å; L320-Q323 PolarHBondContact O-N 3.4Å; L320-Q323 VanDerWaalsContact O-N 3.17Å; L320-A324 WeakPolarHBondContact O-CB 3.5Å; L320-A324 PolarHBondContact O-N 2.88Å
321	A	61	Low	61.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-38.7	176.5	0	0	0	0	0	112.3	W277 L317 K318 A324 L325 F343	W277-A321 HydrophobicContact CH2-CB 4.4Å; L317-A321 WeakPolarHBondContact O-CB 3.3Å; L317-A321 PolarHBondContact O-N 3.31Å; K318-A321 PolarHBondContact O-N 3.17Å; A321-A324 PolarHBondContact O-N 2.88Å; A321-L325 VanDerWaalsContact O-CB 3.27Å; A321-L325 WeakPolarHBondContact O-CB 3.37Å; A321-L325 PolarHBondContact O-N 3.01Å; A321-F343 HydrophobicContact CB-CE1 3.51Å; A321-F343 HydrophobicContact CB-CZ 3.57Å
322	L	61.7	Low	61.4	Low	23 Å²	23	62.9 Å²	62.9	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-45.2	174.7	-68.5	168	0	0	0	112.2	K318 M319 L320 L325 A326 C347 Y350 I351	K318-L322 HydrophobicContact CG-CD1 4.19Å; K318-L322 WeakPolarHBondContact O-CG 3.49Å; K318-L322 PolarHBondContact O-N 3.22Å; M319-L322 PolarHBondContact O-N 3.49Å; L320-L322 VanDerWaalsContact C-N 3.27Å; L320-L322 PolarHBondContact O-N 3.49Å; L322-L325 PolarHBondContact O-N 2.98Å; L322-A326 VanDerWaalsContact O-CB 3.25Å; L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 3.02Å; L322-C347 HydrophobicContact CD2-CB 3.9Å; L322-C347 WeakPolarHBondContact CD2-O 3.41Å; L322-Y350 HydrophobicContact CD1-CD1 3.44Å; L322-Y350 VanDerWaalsContact CD1-CD1 3.44Å; L322-Y350 HydrophobicContact CD1-CE1 3.65Å; L322-Y350 HydrophobicContact CD1-CG 4.35Å; L322-Y350 HydrophobicContact CD2-CD1 3.66Å; L322-Y350 HydrophobicContact CD2-CG 4.14Å; L322-Y350 HydrophobicContact CG-CD1 4.23Å; L322-I351 HydrophobicContact CB-CD1 4.48Å; L322-I351 HydrophobicContact CB-CG1 4.36Å; L322-I351 HydrophobicContact CD2-CD1 4.09Å; L322-I351 HydrophobicContact CD2-CG1 3.56Å; L322-I351 VanDerWaalsContact O-CD1 3.24Å; L322-I351 WeakPolarHBondContact O-CD1 3.48Å
323	Q	66.1	Low	61.1	Low	90 Å²	90	66.3 Å²	66.3	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-65.2	-42.6	177.2	-77.6	-179.4	-15	0	0	112.2	L270 M319 L320 A326 S327	L270-Q323 HydrophobicContact CD1-CB 4.38Å; L270-Q323 HydrophobicContact CD2-CB 3.68Å; M319-Q323 PolarHBondContact O-N 3.33Å; L320-Q323 PolarHBondContact O-N 3.4Å; L320-Q323 VanDerWaalsContact O-N 3.17Å; Q323-A326 PolarHBondContact O-N 3.1Å; Q323-S327 PolarHBondContact O-N 3.12Å; Q323-S327 VanDerWaalsContact O-N 3.09Å
324	A	63.7	Low	60.9	Low	2 Å²	2	65.6 Å²	65.6	2%	0.017	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-47.9	176.7	0	0	0	0	0	110.6	L270 I273 L320 A321 A326 S327 F328	L270-A324 HydrophobicContact CD2-CB 3.87Å; I273-A324 HydrophobicContact CB-CB 4.1Å; I273-A324 HydrophobicContact CG2-CB 3.83Å; L320-A324 WeakPolarHBondContact O-CB 3.5Å; L320-A324 PolarHBondContact O-N 2.88Å; A321-A324 PolarHBondContact O-N 2.88Å; A324-A326 PolarHBondContact O-N 3.01Å; A324-S327 WeakPolarHBondContact O-CB 3.15Å; A324-S327 PolarHBondContact O-N 3.28Å; A324-S327 PolarHBondContact O-OG 3.43Å; A324-F328 WeakPolarHBondContact O-CD2 3.28Å
325	L	61.1	Low	61	Low	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-39.7	179.1	-169.8	59.8	0	0	0	112.3	W277 A321 L322 S327 F328 Y334 L338 A344 C347 I351	W277-L325 HydrophobicContact CE3-CD1 4.41Å; W277-L325 HydrophobicContact CH2-CB 4.24Å; W277-L325 HydrophobicContact CZ3-CB 3.78Å; W277-L325 HydrophobicContact CZ3-CD1 3.82Å; W277-L325 HydrophobicContact CZ3-CG 4.29Å; A321-L325 VanDerWaalsContact O-CB 3.27Å; A321-L325 WeakPolarHBondContact O-CB 3.37Å; A321-L325 PolarHBondContact O-N 3.01Å; L322-L325 PolarHBondContact O-N 2.98Å; L325-S327 PolarHBondContact O-N 2.79Å; L325-F328 PolarHBondContact O-N 3.06Å; L325-Y334 HydrophobicContact CD1-CD2 3.84Å; L325-Y334 HydrophobicContact CD1-CE2 3.76Å; L325-Y334 HydrophobicContact CD2-CE2 4.34Å; L325-Y334 HydrophobicContact CG-CD2 4.13Å; L325-Y334 HydrophobicContact CG-CE2 3.56Å; L325-Y334 WeakPolarHBondContact O-CD2 3.49Å; L325-Y334 WeakPolarHBondContact O-CE2 3.45Å; L325-L338 HydrophobicContact CD1-CD2 4.31Å; L325-L338 HydrophobicContact CD2-CD2 3.94Å; L325-A344 WeakPolarHBondContact CD2-O 3.11Å; L325-C347 HydrophobicContact CD2-CB 3.58Å; L325-I351 HydrophobicContact CB-CD1 3.74Å; L325-I351 HydrophobicContact CD2-CD1 3.85Å; L325-I351 HydrophobicContact CG-CD1 3.9Å
326	A	65.5	Low	60.9	Low	46 Å²	46	65.1 Å²	65.1	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-33.2	175.1	0	0	0	0	0	112.5	L322 Q323 A324 F328 K329 I351	L322-A326 VanDerWaalsContact O-CB 3.25Å; L322-A326 WeakPolarHBondContact O-CB 3.45Å; L322-A326 PolarHBondContact O-N 3.02Å; Q323-A326 PolarHBondContact O-N 3.1Å; A324-A326 PolarHBondContact O-N 3.01Å; A326-F328 PolarHBondContact O-N 3.21Å; A326-K329 VanDerWaalsContact O-CB 3.29Å; A326-K329 WeakPolarHBondContact O-CB 3.25Å; A326-K329 PolarHBondContact O-N 3.4Å; A326-K329 VanDerWaalsContact O-N 3.14Å; A326-I351 HydrophobicContact CB-CD1 4.21Å
327	S	64.9	Low	60.4	Low	82 Å²	82	63 Å²	63	57%	0.573	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-26.4	176	80.1	0	0	0	0	113.1	Q323 A324 L325	Q323-S327 PolarHBondContact O-N 3.12Å; Q323-S327 VanDerWaalsContact O-N 3.09Å; A324-S327 WeakPolarHBondContact O-CB 3.15Å; A324-S327 PolarHBondContact O-N 3.28Å; A324-S327 PolarHBondContact O-OG 3.43Å; L325-S327 PolarHBondContact O-N 2.79Å
328	F	59.8	Low	60.4	Low	17 Å²	17	63.8 Å²	63.8	8%	0.075	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.9	176	-68.7	-75.6	0	0	0	114.1	A274 A324 L325 A326 K330 E331 Y334 L337	A274-F328 HydrophobicContact CB-CE2 3.49Å; A274-F328 VanDerWaalsContact CB-CE2 3.49Å; A274-F328 HydrophobicContact CB-CZ 3.56Å; A324-F328 WeakPolarHBondContact O-CD2 3.28Å; L325-F328 PolarHBondContact O-N 3.06Å; A326-F328 PolarHBondContact O-N 3.21Å; F328-K330 PolarHBondContact O-N 3.25Å; F328-E331 WeakPolarHBondContact O-CB 3.24Å; F328-E331 PolarHBondContact O-N 3.03Å; F328-Y334 HydrophobicContact CB-CD2 4.13Å; F328-Y334 WeakPolarHBondContact O-CB 3.19Å; F328-L337 HydrophobicContact CD1-CD1 4.45Å; F328-L337 HydrophobicContact CD2-CD1 4.02Å; F328-L337 HydrophobicContact CE2-CD1 4.24Å; F328-L337 HydrophobicContact CG-CD1 4.12Å
329	K	59.9	Low	60.3	Low	130 Å²	130	65.4 Å²	65.4	57%	0.565	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.2	-169.3	-172.6	174.7	179.8	176.3	0	114.7	A326 Y334	A326-K329 VanDerWaalsContact O-CB 3.29Å; A326-K329 WeakPolarHBondContact O-CB 3.25Å; A326-K329 PolarHBondContact O-N 3.4Å; A326-K329 VanDerWaalsContact O-N 3.14Å; K329-Y334 HydrophobicContact CB-CD2 4.43Å; K329-Y334 HydrophobicContact CB-CE2 4.39Å
330	K	60.6	Low	59.5	Low	209 Å²	209	65.9 Å²	65.9	91%	0.909	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.4	178	-64.2	-173.7	178.9	-177.9	0	114.6	F328	F328-K330 PolarHBondContact O-N 3.25Å
331	E	61.7	Low	58.8	Low	85 Å²	85	67.2 Å²	67.2	40%	0.397	35%	0.353	S	S	.	.	S	Bend	trans	-98.1	141.4	-176.8	-60.9	-170	-168.9	0	0	110.8	F328 K333 Y334	F328-E331 WeakPolarHBondContact O-CB 3.24Å; F328-E331 PolarHBondContact O-N 3.03Å; E331-K333 HydrophobicContact CB-CB 4.18Å; E331-K333 PolarHBondContact O-N 3.25Å; E331-K333 WeakPolarHBondContact OE2-CD 3.27Å; E331-K333 IonicContact OE2-NZ 3.85Å; E331-Y334 WeakPolarHBondContact O-CB 3.48Å; E331-Y334 PolarHBondContact O-N 3.44Å
332	A	57.2	Low	58.3	Low	98 Å²	98	69.1 Å²	69.1	81%	0.81	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.6	169.7	0	0	0	0	0	112.8	Y334	A332-Y334 VanDerWaalsContact C-N 3.28Å; A332-Y334 PolarHBondContact O-N 3.48Å
333	K	53.5	Low	57.7	Low	114 Å²	114	70.8 Å²	70.8	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-29.2	174	-63	-174.9	-170.2	161.6	0	112.9	E331 E335 A336 L337	E331-K333 HydrophobicContact CB-CB 4.18Å; E331-K333 PolarHBondContact O-N 3.25Å; E331-K333 WeakPolarHBondContact OE2-CD 3.27Å; E331-K333 IonicContact OE2-NZ 3.85Å; K333-E335 PolarHBondContact O-N 3.05Å; K333-A336 PolarHBondContact O-N 3.27Å; K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 WeakPolarHBondContact O-CG 3.42Å; K333-L337 PolarHBondContact O-N 3.19Å
334	Y	60.7	Low	56.9	Low	18 Å²	18	66.5 Å²	66.5	7%	0.071	35%	0.352	C	S	.	.	H	α-helix	trans	-56.9	-51.6	-178.3	-176.7	-95.3	0	0	0	112.6	L325 F328 K329 E331 A332 A336 L337 L338	L325-Y334 HydrophobicContact CD1-CD2 3.84Å; L325-Y334 HydrophobicContact CD1-CE2 3.76Å; L325-Y334 HydrophobicContact CD2-CE2 4.34Å; L325-Y334 HydrophobicContact CG-CD2 4.13Å; L325-Y334 HydrophobicContact CG-CE2 3.56Å; L325-Y334 WeakPolarHBondContact O-CD2 3.49Å; L325-Y334 WeakPolarHBondContact O-CE2 3.45Å; F328-Y334 HydrophobicContact CB-CD2 4.13Å; F328-Y334 WeakPolarHBondContact O-CB 3.19Å; K329-Y334 HydrophobicContact CB-CD2 4.43Å; K329-Y334 HydrophobicContact CB-CE2 4.39Å; E331-Y334 WeakPolarHBondContact O-CB 3.48Å; E331-Y334 PolarHBondContact O-N 3.44Å; A332-Y334 VanDerWaalsContact C-N 3.28Å; A332-Y334 PolarHBondContact O-N 3.48Å; Y334-A336 VanDerWaalsContact C-N 3.33Å; Y334-A336 PolarHBondContact O-N 2.83Å; Y334-L337 WeakPolarHBondContact O-CB 3.4Å; Y334-L337 PolarHBondContact O-N 3.22Å; Y334-L338 HydrophobicContact CD1-CD1 3.9Å; Y334-L338 HydrophobicContact CD1-CG 4.26Å; Y334-L338 HydrophobicContact CE1-CD1 3.41Å; Y334-L338 VanDerWaalsContact CE1-CD1 3.41Å; Y334-L338 HydrophobicContact CE1-CD2 4.42Å; Y334-L338 HydrophobicContact CE1-CG 4.02Å; Y334-L338 WeakPolarHBondContact O-CG 3.45Å; Y334-L338 PolarHBondContact O-N 2.88Å
335	E	64.1	Low	56.6	Low	134 Å²	134	71.3 Å²	71.3	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-64.6	-38.1	178.9	-67	-171.1	172.4	0	0	112.2	K333 L337 L338 K339	K333-E335 PolarHBondContact O-N 3.05Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-L337 PolarHBondContact O-N 3.36Å; E335-L338 PolarHBondContact O-N 3.48Å; E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.48Å
336	A	58.9	Low	56.2	Low	47 Å²	47	78.4 Å²	78.4	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-61.4	-43	174.1	0	0	0	0	0	111.1	K333 Y334 K339 L340	K333-A336 PolarHBondContact O-N 3.27Å; Y334-A336 VanDerWaalsContact C-N 3.33Å; Y334-A336 PolarHBondContact O-N 2.83Å; A336-K339 PolarHBondContact O-N 2.95Å; A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.42Å
337	L	50.6	Low	55.6	Low	11 Å²	11	76.5 Å²	76.5	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-41.1	177.9	-70	178.4	0	0	0	112.9	W277 F328 K333 Y334 E335 K339 L340 S341	W277-L337 HydrophobicContact CB-CD1 4.19Å; W277-L337 HydrophobicContact CB-CD2 3.59Å; W277-L337 HydrophobicContact CB-CG 4.49Å; W277-L337 HydrophobicContact CE3-CD1 4.23Å; W277-L337 HydrophobicContact CG-CD2 4.36Å; W277-L337 WeakPolarHBondContact O-CD2 3.17Å; F328-L337 HydrophobicContact CD1-CD1 4.45Å; F328-L337 HydrophobicContact CD2-CD1 4.02Å; F328-L337 HydrophobicContact CE2-CD1 4.24Å; F328-L337 HydrophobicContact CG-CD1 4.12Å; K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 WeakPolarHBondContact O-CG 3.42Å; K333-L337 PolarHBondContact O-N 3.19Å; Y334-L337 WeakPolarHBondContact O-CB 3.4Å; Y334-L337 PolarHBondContact O-N 3.22Å; E335-L337 VanDerWaalsContact C-N 3.33Å; E335-L337 PolarHBondContact O-N 3.36Å; L337-K339 PolarHBondContact O-N 3Å; L337-L340 PolarHBondContact O-N 3.5Å; L337-S341 PolarHBondContact O-N 2.85Å
338	L	56.8	Low	55.1	Low	27 Å²	27	72.6 Å²	72.6	14%	0.141	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-31.1	175.1	-65.6	-175.9	0	0	0	112.9	L325 Y334 E335 A344 R345	L325-L338 HydrophobicContact CD1-CD2 4.31Å; L325-L338 HydrophobicContact CD2-CD2 3.94Å; Y334-L338 HydrophobicContact CD1-CD1 3.9Å; Y334-L338 HydrophobicContact CD1-CG 4.26Å; Y334-L338 HydrophobicContact CE1-CD1 3.41Å; Y334-L338 VanDerWaalsContact CE1-CD1 3.41Å; Y334-L338 HydrophobicContact CE1-CD2 4.42Å; Y334-L338 HydrophobicContact CE1-CG 4.02Å; Y334-L338 WeakPolarHBondContact O-CG 3.45Å; Y334-L338 PolarHBondContact O-N 2.88Å; E335-L338 PolarHBondContact O-N 3.48Å; L338-A344 VanDerWaalsContact CD2-O 3.28Å; L338-A344 WeakPolarHBondContact CD2-O 3.46Å; L338-R345 WeakPolarHBondContact O-CB 3.31Å; L338-R345 PolarHBondContact O-NE 2.61Å; L338-R345 VanDerWaalsContact O-NE 3.12Å
339	K	55	Low	54.8	Low	148 Å²	148	75.7 Å²	75.7	64%	0.643	37%	0.368	S	S	*	.	H	α-helix	trans	-73.9	-42.6	175.5	-71.4	176.7	-178	178.2	0	111.4	E335 A336 L337 R345	E335-K339 WeakPolarHBondContact O-CG 3.46Å; E335-K339 PolarHBondContact O-N 3.48Å; A336-K339 PolarHBondContact O-N 2.95Å; L337-K339 PolarHBondContact O-N 3Å; K339-R345 PolarHBondContact O-NH2 3.44Å
340	L	45.2	Very low	54.4	Low	102 Å²	102	75.4 Å²	75.4	53%	0.534	36%	0.364	S	S	.	.	H	α-helix	trans	-74.6	-29.8	-172.3	-71	168.8	0	0	0	114.9	A336 L337	A336-L340 VanDerWaalsContact O-CG 3.24Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.42Å; L337-L340 PolarHBondContact O-N 3.5Å
341	S	46.3	Very low	54	Low	28 Å²	28	67.7 Å²	67.7	20%	0.196	33%	0.332	C	S	.	.			trans	-128.8	117.6	-174.4	172.3	0	0	0	0	111.8	L337 F343 A344 R345	L337-S341 PolarHBondContact O-N 2.85Å; S341-F343 PolarHBondContact O-N 3.39Å; S341-F343 PolarHBondContact OG-N 3.07Å; S341-A344 PolarHBondContact O-N 3.31Å; S341-A344 VanDerWaalsContact O-N 3.07Å; S341-A344 PolarHBondContact OG-N 3.22Å; S341-A344 VanDerWaalsContact OG-N 3.12Å; S341-R345 PolarHBondContact O-N 3.5Å
342	P	51.1	Low	53.7	Low	41 Å²	41	68.9 Å²	68.9	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-55.3	-34	171.3	-26.2	34.4	0	0	0	112.7	R345 R346	P342-R345 PolarHBondContact O-N 3.18Å; P342-R346 WeakPolarHBondContact O-CG 3.43Å; P342-R346 PolarHBondContact O-N 3.09Å
343	F	48.2	Very low	53.3	Low	57 Å²	57	67.5 Å²	67.5	25%	0.25	33%	0.334	C	S	.	.	H	α-helix	trans	-68.3	-44	175	178.7	-108	0	0	0	112.1	W277 A321 S341 R345 R346 C347	W277-F343 AromaticContact CZ2-CD1 3.92Å; W277-F343 HydrophobicContact CZ2-CD1 3.92Å; W277-F343 HydrophobicContact CZ2-CE1 4.1Å; A321-F343 HydrophobicContact CB-CE1 3.51Å; A321-F343 HydrophobicContact CB-CZ 3.57Å; S341-F343 PolarHBondContact O-N 3.39Å; S341-F343 PolarHBondContact OG-N 3.07Å; F343-R345 VanDerWaalsContact C-N 3.31Å; F343-R345 PolarHBondContact O-N 3.3Å; F343-R346 PolarHBondContact O-N 2.99Å; F343-C347 PolarHBondContact O-N 3.41Å; F343-C347 PolarHBondContact O-SG 3.06Å
344	A	50.8	Low	52.6	Low	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-38.3	173.5	0	0	0	0	0	111.3	W277 L325 L338 S341 C347 G348	W277-A344 HydrophobicContact CH2-CB 4.11Å; W277-A344 HydrophobicContact CZ2-CB 4.02Å; W277-A344 HydrophobicContact CZ3-CB 4.46Å; L325-A344 WeakPolarHBondContact CD2-O 3.11Å; L338-A344 VanDerWaalsContact CD2-O 3.28Å; L338-A344 WeakPolarHBondContact CD2-O 3.46Å; S341-A344 PolarHBondContact O-N 3.31Å; S341-A344 VanDerWaalsContact O-N 3.07Å; S341-A344 PolarHBondContact OG-N 3.22Å; S341-A344 VanDerWaalsContact OG-N 3.12Å; A344-C347 CarbonylContact O-C 3.6Å; A344-C347 WeakPolarHBondContact O-CB 3.38Å; A344-C347 PolarHBondContact O-N 3.33Å; A344-G348 PolarHBondContact O-N 3.16Å
345	R	56.5	Low	51.4	Low	104 Å²	104	75.2 Å²	75.2	39%	0.392	38%	0.379	S	S	.	.	H	α-helix	trans	-58.9	-50.5	175.3	-163.6	-178.9	-58.2	170.7	3.4	112.3	L338 K339 S341 P342 F343 C347 G348 Q349	L338-R345 WeakPolarHBondContact O-CB 3.31Å; L338-R345 PolarHBondContact O-NE 2.61Å; L338-R345 VanDerWaalsContact O-NE 3.12Å; K339-R345 PolarHBondContact O-NH2 3.44Å; S341-R345 PolarHBondContact O-N 3.5Å; P342-R345 PolarHBondContact O-N 3.18Å; F343-R345 VanDerWaalsContact C-N 3.31Å; F343-R345 PolarHBondContact O-N 3.3Å; R345-C347 VanDerWaalsContact C-N 3.29Å; R345-C347 PolarHBondContact O-N 3.48Å; R345-G348 PolarHBondContact O-N 3.25Å; R345-Q349 WeakPolarHBondContact O-CG 3.49Å; R345-Q349 PolarHBondContact O-N 2.89Å
346	R	53.8	Low	50.7	Low	149 Å²	149	72.3 Å²	72.3	56%	0.562	37%	0.367	S	S	*	.	H	α-helix	trans	-59.2	-40.5	175.1	-73.6	-169.8	-63	-104.9	3.7	112	P342 F343 Y350	P342-R346 WeakPolarHBondContact O-CG 3.43Å; P342-R346 PolarHBondContact O-N 3.09Å; F343-R346 PolarHBondContact O-N 2.99Å; R346-Y350 PolarHBondContact O-N 3.22Å
347	C	52.1	Low	50.3	Low	6 Å²	6	73.6 Å²	73.6	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-42.2	173.7	-66.1	0	0	0	0	111.4	L322 L325 F343 A344 R345 Y350 I351	L322-C347 HydrophobicContact CD2-CB 3.9Å; L322-C347 WeakPolarHBondContact CD2-O 3.41Å; L325-C347 HydrophobicContact CD2-CB 3.58Å; F343-C347 PolarHBondContact O-N 3.41Å; F343-C347 PolarHBondContact O-SG 3.06Å; A344-C347 CarbonylContact O-C 3.6Å; A344-C347 WeakPolarHBondContact O-CB 3.38Å; A344-C347 PolarHBondContact O-N 3.33Å; R345-C347 VanDerWaalsContact C-N 3.29Å; R345-C347 PolarHBondContact O-N 3.48Å; C347-Y350 PolarHBondContact O-N 3.14Å; C347-I351 VanDerWaalsContact O-CG1 3.31Å; C347-I351 WeakPolarHBondContact O-CG1 3.29Å; C347-I351 PolarHBondContact O-N 2.96Å
348	G	55	Low	50.3	Low	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.2	-41.3	179.9	0	0	0	0	0	113.2	A344 R345 Y350 I351 M352	A344-G348 PolarHBondContact O-N 3.16Å; R345-G348 PolarHBondContact O-N 3.25Å; G348-Y350 VanDerWaalsContact C-N 3.33Å; G348-Y350 PolarHBondContact O-N 2.89Å; G348-I351 PolarHBondContact O-N 2.77Å; G348-M352 WeakPolarHBondContact O-CB 3.34Å; G348-M352 VanDerWaalsContact O-CG 3.31Å; G348-M352 WeakPolarHBondContact O-CG 3.41Å; G348-M352 PolarHBondContact O-N 3.26Å
349	Q	53.5	Low	49.9	Very low	82 Å²	82	80.1 Å²	80.1	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-57	-47.2	173.5	-76.2	171.3	-41.2	0	0	111.2	R345 I351 M352 G353 S354	R345-Q349 WeakPolarHBondContact O-CG 3.49Å; R345-Q349 PolarHBondContact O-N 2.89Å; Q349-I351 PolarHBondContact O-N 2.85Å; Q349-M352 PolarHBondContact O-N 2.9Å; Q349-G353 PolarHBondContact O-N 3.45Å; Q349-G353 VanDerWaalsContact O-N 3.16Å; Q349-S354 PolarHBondContact O-N 3.43Å; Q349-S354 PolarHBondContact O-OG 3.23Å
350	Y	51.9	Low	49.6	Very low	124 Å²	124	75.8 Å²	75.8	49%	0.486	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-38.1	176	-166.6	-88	0	0	0	113	L322 R346 C347 G348 G353	L322-Y350 HydrophobicContact CD1-CD1 3.44Å; L322-Y350 VanDerWaalsContact CD1-CD1 3.44Å; L322-Y350 HydrophobicContact CD1-CE1 3.65Å; L322-Y350 HydrophobicContact CD1-CG 4.35Å; L322-Y350 HydrophobicContact CD2-CD1 3.66Å; L322-Y350 HydrophobicContact CD2-CG 4.14Å; L322-Y350 HydrophobicContact CG-CD1 4.23Å; R346-Y350 PolarHBondContact O-N 3.22Å; C347-Y350 PolarHBondContact O-N 3.14Å; G348-Y350 VanDerWaalsContact C-N 3.33Å; G348-Y350 PolarHBondContact O-N 2.89Å; Y350-G353 PolarHBondContact O-N 3.41Å
351	I	50.9	Low	49.9	Very low	46 Å²	46	74.1 Å²	74.1	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-37.2	175.6	-65.8	167.1	0	0	0	111.8	L322 L325 A326 C347 G348 Q349 G353	L322-I351 HydrophobicContact CB-CD1 4.48Å; L322-I351 HydrophobicContact CB-CG1 4.36Å; L322-I351 HydrophobicContact CD2-CD1 4.09Å; L322-I351 HydrophobicContact CD2-CG1 3.56Å; L322-I351 VanDerWaalsContact O-CD1 3.24Å; L322-I351 WeakPolarHBondContact O-CD1 3.48Å; L325-I351 HydrophobicContact CB-CD1 3.74Å; L325-I351 HydrophobicContact CD2-CD1 3.85Å; L325-I351 HydrophobicContact CG-CD1 3.9Å; A326-I351 HydrophobicContact CB-CD1 4.21Å; C347-I351 VanDerWaalsContact O-CG1 3.31Å; C347-I351 WeakPolarHBondContact O-CG1 3.29Å; C347-I351 PolarHBondContact O-N 2.96Å; G348-I351 PolarHBondContact O-N 2.77Å; Q349-I351 PolarHBondContact O-N 2.85Å; I351-G353 PolarHBondContact O-N 3.42Å
352	M	55.6	Low	50.1	Low	111 Å²	111	77.4 Å²	77.4	55%	0.547	38%	0.384	S	S	.	.	H	α-helix	trans	-77.2	-7.3	179.7	-68.9	-170.4	-57.7	0	0	112.9	G348 Q349 S354	G348-M352 WeakPolarHBondContact O-CB 3.34Å; G348-M352 VanDerWaalsContact O-CG 3.31Å; G348-M352 WeakPolarHBondContact O-CG 3.41Å; G348-M352 PolarHBondContact O-N 3.26Å; Q349-M352 PolarHBondContact O-N 2.9Å; M352-S354 VanDerWaalsContact C-N 3.3Å
353	G	48.9	Very low	50	Low	68 Å²	68	80.2 Å²	80.2	70%	0.701	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	18.8	-177.8	0	0	0	0	0	113.7	Q349 Y350 I351	Q349-G353 PolarHBondContact O-N 3.45Å; Q349-G353 VanDerWaalsContact O-N 3.16Å; Y350-G353 PolarHBondContact O-N 3.41Å; I351-G353 PolarHBondContact O-N 3.42Å
354	S	39.1	Very low	50.2	Low	59 Å²	59	82.1 Å²	82.1	41%	0.413	41%	0.405	S	S	.	.			trans	-99.3	84.6	171.3	56.2	0	0	0	0	108.5	Q349 M352	Q349-S354 PolarHBondContact O-N 3.43Å; Q349-S354 PolarHBondContact O-OG 3.23Å; M352-S354 VanDerWaalsContact C-N 3.3Å
355	E	34.5	Very low	50.1	Low	236 Å²	236	89.5 Å²	89.5	100%	1.103	44%	0.442	S	S	*	.			trans	51.4	0	168.8	-63.5	-174.9	165.5	0	0	119.4

Retrieved 355 of 355 residues in 1140.6 ms (Link to these results)

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