A0A3Q0KPP7_SCHMA Loading...

CLASP_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	32.9	Very low	32.2	Very low	223 Å²	223	137.1 Å²	137.1	100%	1.099	80%	0.797	S	S	*	*				0	124.4	0	-71.4	-129.4	135.6	0	0	108
2	P	33.7	Very low	32	Very low	133 Å²	133	134 Å²	134	86%	0.864	79%	0.789	S	S	*	*				-130	130.4	119.2	32.9	-22	0	0	0	111.5
3	S	29.4	Very low	31.7	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	80%	0.797	S	S	*	*			trans	-96.2	178.6	148.3	-33.5	0	0	0	0	106.5
4	P	41.7	Very low	31.3	Very low	111 Å²	111	131.9 Å²	131.9	72%	0.721	79%	0.793	S	S	*	*			cis	-128.2	-174.8	-15.6	36.7	-18.4	0	0	0	110.6
5	T	35.7	Very low	31.3	Very low	113 Å²	113	130.4 Å²	130.4	69%	0.693	79%	0.791	S	S	*	*				-175.4	104.2	123	-63.2	0	0	0	0	108.5	Q7	T5-Q7 HydrophobicContact CG2-CG 4.12Å
6	T	30.5	Very low	31.3	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	79%	0.791	S	S	*	*			trans	-62.6	120.5	157.1	27.9	0	0	0	0	109.6
7	Q	32.4	Very low	31.3	Very low	168 Å²	168	131.2 Å²	131.2	79%	0.785	80%	0.795	S	S	*	*			trans	-112.1	99.1	157.7	-72.4	-170.2	20.9	0	0	108.7	T5	T5-Q7 HydrophobicContact CG2-CG 4.12Å
8	T	25.9	Very low	31.8	Very low	133 Å²	133	132 Å²	132	82%	0.816	79%	0.794	S	S	*	*			trans	-69.9	114.7	152.3	30.9	0	0	0	0	108.6
9	V	35	Very low	32.3	Very low	121 Å²	121	133.3 Å²	133.3	73%	0.733	80%	0.796	S	S	*	*			trans	-125.6	98.4	159.3	-179.2	0	0	0	0	107.4
10	N	24.9	Very low	32.6	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	79%	0.789	S	S	*	*			trans	-67.8	134.1	151.9	-76.1	-24.4	0	0	0	107.4
11	V	32.1	Very low	33.2	Very low	127 Å²	127	134.1 Å²	134.1	77%	0.77	79%	0.791	S	S	*	*			trans	-166	117.1	138.8	162.7	0	0	0	0	109.8
12	S	29.9	Very low	33.8	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	78%	0.778	S	S	*	*			trans	44.4	113.3	148	70.1	0	0	0	0	122.9
13	N	27.6	Very low	34.5	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	76%	0.762	S	S	*	*				11.3	119.6	118.5	-67.3	-12	0	0	0	118.1
14	G	26.6	Very low	35.8	Very low	72 Å²	72	126.9 Å²	126.9	74%	0.742	75%	0.753	S	S	*	*			trans	99.6	89.1	140.9	0	0	0	0	0	115.9
15	S	31.5	Very low	36.7	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	75%	0.754	S	S	*	*	S	Bend		171.4	134.8	123.7	42.3	0	0	0	0	111.2
16	N	30.6	Very low	38.4	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	74%	0.741	S	S	*	*			trans	59.3	79.4	159.8	-65	-0.3	0	0	0	118.1	D18	N16-D18 PolarHBondContact O-N 3.14Å
17	C	31.9	Very low	40.3	Very low	126 Å²	126	124.4 Å²	124.4	85%	0.851	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	56.8	166.9	-48	0	0	0	0	112.2
18	D	40.9	Very low	42.3	Very low	146 Å²	146	123.8 Å²	123.8	78%	0.781	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-7.9	172.4	-78.7	-38	0	0	0	114.5	N16	N16-D18 PolarHBondContact O-N 3.14Å
19	D	41.4	Very low	44.9	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	71%	0.708	S	S	*	*	S	Bend	trans	-107.5	7.9	-176.1	-76.1	-25	0	0	0	116
20	L	37.9	Very low	46.7	Very low	125 Å²	125	120.8 Å²	120.8	65%	0.654	69%	0.689	S	S	*	*			trans	-98.8	8	-174.7	-94.9	158.6	0	0	0	116.2
21	L	44.2	Very low	49	Very low	158 Å²	158	119.5 Å²	119.5	83%	0.827	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	0.6	-179.7	-81.8	166.7	0	0	0	115.5
22	N	45.4	Very low	51.1	Low	154 Å²	154	121.7 Å²	121.7	82%	0.824	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	3.4	-175.4	-76.7	-13.7	0	0	0	116	G24	N22-G24 PolarHBondContact O-N 3.13Å
23	N	49.3	Very low	53.3	Low	100 Å²	100	122 Å²	122	54%	0.535	67%	0.666	S	S	.	*			trans	-90.7	104.6	177.1	-69.4	-11.4	0	0	0	110	N25 N26	N23-N25 PolarHBondContact O-N 3.12Å; N23-N26 PolarHBondContact O-N 3.31Å
24	G	57	Low	55.5	Low	46 Å²	46	117.6 Å²	117.6	47%	0.474	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.2	-17.7	-176.2	0	0	0	0	0	116	N22 N26 I27	N22-G24 PolarHBondContact O-N 3.13Å; G24-N26 PolarHBondContact O-N 3.07Å; G24-I27 PolarHBondContact O-N 2.85Å
25	N	60.5	Low	57.3	Low	141 Å²	141	118.5 Å²	118.5	75%	0.754	64%	0.635	S	S	*	*	H	α-helix	trans	-63.4	-27.4	173.5	-61.1	-5.5	0	0	0	113	N23	N23-N25 PolarHBondContact O-N 3.12Å
26	N	70.1	Confident	58.7	Low	78 Å²	78	118.7 Å²	118.7	42%	0.417	62%	0.623	S	S	.	*	H	α-helix	trans	-74.7	-27.6	178.8	-76.6	-18.8	0	0	0	112.6	N23 G24 F29 L30	N23-N26 PolarHBondContact O-N 3.31Å; G24-N26 PolarHBondContact O-N 3.07Å; N26-F29 PolarHBondContact O-N 2.8Å; N26-L30 WeakPolarHBondContact O-CB 3.42Å; N26-L30 WeakPolarHBondContact O-CG 3.35Å; N26-L30 PolarHBondContact O-N 3.06Å
27	I	70.8	Confident	60.2	Low	85 Å²	85	113 Å²	113	44%	0.436	59%	0.594	S	S	.	*	H	α-helix	trans	-67.5	-40.7	-179	-60.9	173.8	0	0	0	110.3	G24 L30 K31	G24-I27 PolarHBondContact O-N 2.85Å; I27-L30 PolarHBondContact O-N 3.33Å; I27-K31 HydrophobicContact CG2-CD 4.34Å; I27-K31 WeakPolarHBondContact O-CB 2.85Å; I27-K31 WeakPolarHBondContact O-CG 3.14Å; I27-K31 PolarHBondContact O-N 2.77Å
28	E	75.6	Confident	61.7	Low	154 Å²	154	109 Å²	109	72%	0.72	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-41	175.6	-66.8	-153.1	159.6	0	0	112.2	L30 K31 K32	E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.37Å; E28-K31 PolarHBondContact O-N 3.26Å; E28-K32 PolarHBondContact O-N 3.13Å
29	F	79.1	Confident	62.8	Low	125 Å²	125	105.7 Å²	105.7	55%	0.548	54%	0.543	S	S	.	.	H	α-helix	trans	-60.5	-44.1	174.3	-173.8	-92.2	0	0	0	111.3	N26 K32 H33	N26-F29 PolarHBondContact O-N 2.8Å; F29-K32 PolarHBondContact O-N 3Å; F29-H33 AromaticContact CD1-CE1 3.95Å; F29-H33 AromaticContact CD1-ND1 3.61Å; F29-H33 AromaticContact CD2-CE1 3.68Å; F29-H33 AromaticContact CD2-ND1 3.97Å; F29-H33 AromaticContact CE1-CE1 3.49Å; F29-H33 VanDerWaalsContact CE1-CE1 3.49Å; F29-H33 WeakPolarHBondContact CE1-CE1 3.49Å; F29-H33 AromaticContact CE1-ND1 3.46Å; F29-H33 WeakPolarHBondContact CE1-ND1 3.15Å; F29-H33 AromaticContact CE2-CE1 3.2Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.11Å; F29-H33 AromaticContact CE2-ND1 3.85Å; F29-H33 AromaticContact CG-ND1 3.87Å; F29-H33 AromaticContact CZ-CE1 3.09Å; F29-H33 WeakPolarHBondContact CZ-CE1 3.37Å; F29-H33 AromaticContact CZ-ND1 3.59Å; F29-H33 AromaticContact CZ-NE2 3.61Å; F29-H33 PolarHBondContact O-N 3.22Å; F29-H33 VanDerWaalsContact O-N 3.1Å; F29-H33 PolarHBondContact O-ND1 3.19Å
30	L	72.9	Confident	63.9	Low	66 Å²	66	107 Å²	107	35%	0.346	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-41.1	177.2	-71.7	168	0	0	0	111.9	N26 I27 E28 K32 H33 L34 F39	N26-L30 WeakPolarHBondContact O-CB 3.42Å; N26-L30 WeakPolarHBondContact O-CG 3.35Å; N26-L30 PolarHBondContact O-N 3.06Å; I27-L30 PolarHBondContact O-N 3.33Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 3.37Å; L30-K32 VanDerWaalsContact C-N 3.26Å; L30-K32 PolarHBondContact O-N 2.92Å; L30-H33 PolarHBondContact O-N 3.43Å; L30-L34 HydrophobicContact CD2-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CA 3.33Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 3.23Å; L30-F39 VanDerWaalsContact C-CZ 3.42Å; L30-F39 HydrophobicContact CB-CE1 3.56Å; L30-F39 HydrophobicContact CB-CZ 3.55Å; L30-F39 HydrophobicContact CD1-CE1 4.27Å; L30-F39 HydrophobicContact CG-CE1 4.44Å; L30-F39 WeakPolarHBondContact O-CZ 3.44Å
31	K	74.7	Confident	65.2	Low	126 Å²	126	104.7 Å²	104.7	55%	0.548	54%	0.535	S	S	.	.	H	α-helix	trans	-58.3	-37.8	174	-80.2	178.8	178	-178.8	0	112.4	I27 E28 F39	I27-K31 HydrophobicContact CG2-CD 4.34Å; I27-K31 WeakPolarHBondContact O-CB 2.85Å; I27-K31 WeakPolarHBondContact O-CG 3.14Å; I27-K31 PolarHBondContact O-N 2.77Å; E28-K31 PolarHBondContact O-N 3.26Å; K31-F39 HydrophobicContact CB-CE2 4.14Å; K31-F39 HydrophobicContact CG-CD2 3.67Å; K31-F39 HydrophobicContact CG-CE2 3.44Å; K31-F39 VanDerWaalsContact CG-CE2 3.44Å; K31-F39 HydrophobicContact CG-CZ 4.36Å
32	K	76	Confident	65.8	Low	173 Å²	173	100 Å²	100	75%	0.752	53%	0.525	S	S	*	.	H	α-helix	trans	-70	-39.5	176.2	-169.8	178.5	180	-178.9	0	112.8	E28 F29 L30	E28-K32 PolarHBondContact O-N 3.13Å; F29-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact C-N 3.26Å; L30-K32 PolarHBondContact O-N 2.92Å
33	H	75.2	Confident	66.3	Low	107 Å²	107	98.6 Å²	98.6	50%	0.495	52%	0.517	S	S	.	.	H	α-helix	trans	-85.7	-23.7	-177.1	-70.7	80.6	0	0	0	113.6	F29 L30 P35	F29-H33 AromaticContact CD1-CE1 3.95Å; F29-H33 AromaticContact CD1-ND1 3.61Å; F29-H33 AromaticContact CD2-CE1 3.68Å; F29-H33 AromaticContact CD2-ND1 3.97Å; F29-H33 AromaticContact CE1-CE1 3.49Å; F29-H33 VanDerWaalsContact CE1-CE1 3.49Å; F29-H33 WeakPolarHBondContact CE1-CE1 3.49Å; F29-H33 AromaticContact CE1-ND1 3.46Å; F29-H33 WeakPolarHBondContact CE1-ND1 3.15Å; F29-H33 AromaticContact CE2-CE1 3.2Å; F29-H33 WeakPolarHBondContact CE2-CE1 3.11Å; F29-H33 AromaticContact CE2-ND1 3.85Å; F29-H33 AromaticContact CG-ND1 3.87Å; F29-H33 AromaticContact CZ-CE1 3.09Å; F29-H33 WeakPolarHBondContact CZ-CE1 3.37Å; F29-H33 AromaticContact CZ-ND1 3.59Å; F29-H33 AromaticContact CZ-NE2 3.61Å; F29-H33 PolarHBondContact O-N 3.22Å; F29-H33 VanDerWaalsContact O-N 3.1Å; F29-H33 PolarHBondContact O-ND1 3.19Å; L30-H33 PolarHBondContact O-N 3.43Å; H33-P35 WeakPolarHBondContact O-CD 3.48Å
34	L	73.2	Confident	66.5	Low	73 Å²	73	99.9 Å²	99.9	38%	0.382	52%	0.518	S	S	.	.			trans	-126.2	61.4	-177.3	-59.5	172.5	0	0	0	111	L30 H36 V37 F39	L30-L34 HydrophobicContact CD2-CD1 4.21Å; L30-L34 WeakPolarHBondContact O-CA 3.33Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 3.23Å; L34-H36 PolarHBondContact O-N 3.07Å; L34-V37 HydrophobicContact CB-CB 3.97Å; L34-V37 HydrophobicContact CB-CG2 3.85Å; L34-V37 HydrophobicContact CD1-CG2 4.38Å; L34-V37 HydrophobicContact CD2-CG2 4.4Å; L34-V37 HydrophobicContact CG-CG2 4.45Å; L34-V37 PolarHBondContact O-N 3.14Å; L34-F39 HydrophobicContact CB-CZ 4.16Å; L34-F39 HydrophobicContact CD1-CZ 4.49Å
35	P	65.5	Low	66.1	Low	91 Å²	91	103.3 Å²	103.3	59%	0.591	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.2	-176.7	27.4	-36.2	0	0	0	114	H33	H33-P35 WeakPolarHBondContact O-CD 3.48Å
36	H	60.8	Low	65.7	Low	113 Å²	113	105.3 Å²	105.3	52%	0.523	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2	179	-54.7	-55.2	0	0	0	113.5	L34 K44 H45	L34-H36 PolarHBondContact O-N 3.07Å; H36-K44 CarbonylContact O-C 3.44Å; H36-K44 WeakPolarHBondContact O-CA 3.49Å; H36-H45 PolarHBondContact O-N 2.95Å
37	V	62.5	Low	64.9	Low	30 Å²	30	106.7 Å²	106.7	18%	0.182	53%	0.53	C	S	.	.	B	Isolated β-bridge	trans	-101.1	121.8	178.3	178.6	0	0	0	0	107.3	L34 F39 K44	L34-V37 HydrophobicContact CB-CB 3.97Å; L34-V37 HydrophobicContact CB-CG2 3.85Å; L34-V37 HydrophobicContact CD1-CG2 4.38Å; L34-V37 HydrophobicContact CD2-CG2 4.4Å; L34-V37 HydrophobicContact CG-CG2 4.45Å; L34-V37 PolarHBondContact O-N 3.14Å; V37-F39 WeakPolarHBondContact O-CE2 3.37Å; V37-K44 HydrophobicContact CG2-CG 3.93Å
38	D	63.4	Low	64.1	Low	41 Å²	41	106.4 Å²	106.4	22%	0.219	53%	0.532	C	S	.	.			trans	-82.3	124.7	166.6	176.7	19.5	0	0	0	109.2	E40 T41 G42 L43 H45	D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact OD1-N 3.46Å; D38-T41 WeakPolarHBondContact CB-OG1 3.35Å; D38-T41 VanDerWaalsContact CG-OG1 3.31Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.37Å; D38-T41 PolarHBondContact OD2-OG1 3.11Å; D38-G42 VanDerWaalsContact O-CA 3.24Å; D38-G42 WeakPolarHBondContact O-CA 3.23Å; D38-G42 PolarHBondContact O-N 3.01Å; D38-L43 PolarHBondContact N-O 3.06Å; D38-L43 VanDerWaalsContact N-O 3.17Å; D38-H45 VanDerWaalsContact CB-CE1 3.4Å; D38-H45 WeakPolarHBondContact CB-CE1 3.45Å; D38-H45 WeakPolarHBondContact CB-ND1 3.08Å; D38-H45 IonicContact OD2-CE1 3.39Å; D38-H45 PolarHBondContact OD2-CE1 2.95Å
39	F	63.2	Low	63	Low	76 Å²	76	106 Å²	106	33%	0.333	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.4	-174.7	-67.3	-83.3	0	0	0	112.6	L30 K31 L34 V37	L30-F39 VanDerWaalsContact C-CZ 3.42Å; L30-F39 HydrophobicContact CB-CE1 3.56Å; L30-F39 HydrophobicContact CB-CZ 3.55Å; L30-F39 HydrophobicContact CD1-CE1 4.27Å; L30-F39 HydrophobicContact CG-CE1 4.44Å; L30-F39 WeakPolarHBondContact O-CZ 3.44Å; K31-F39 HydrophobicContact CB-CE2 4.14Å; K31-F39 HydrophobicContact CG-CD2 3.67Å; K31-F39 HydrophobicContact CG-CE2 3.44Å; K31-F39 VanDerWaalsContact CG-CE2 3.44Å; K31-F39 HydrophobicContact CG-CZ 4.36Å; L34-F39 HydrophobicContact CB-CZ 4.16Å; L34-F39 HydrophobicContact CD1-CZ 4.49Å; V37-F39 WeakPolarHBondContact O-CE2 3.37Å
40	E	65.5	Low	61.6	Low	186 Å²	186	107.3 Å²	107.3	87%	0.869	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-38.6	174.7	-66.8	-175.1	-179.6	0	0	111.5	D38	D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact OD1-N 3.46Å
41	T	64.5	Low	60.8	Low	76 Å²	76	107.4 Å²	107.4	47%	0.466	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-13.9	-177.3	57.9	0	0	0	0	113.7	D38 L43	D38-T41 WeakPolarHBondContact CB-OG1 3.35Å; D38-T41 VanDerWaalsContact CG-OG1 3.31Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.37Å; D38-T41 PolarHBondContact OD2-OG1 3.11Å; T41-L43 PolarHBondContact O-N 3.35Å
42	G	57.2	Low	60.1	Low	60 Å²	60	106.7 Å²	106.7	62%	0.619	54%	0.54	S	S	*	.			trans	64.6	4.1	-173.5	0	0	0	0	0	114.1	D38	D38-G42 VanDerWaalsContact O-CA 3.24Å; D38-G42 WeakPolarHBondContact O-CA 3.23Å; D38-G42 PolarHBondContact O-N 3.01Å
43	L	55.9	Low	59.4	Low	123 Å²	123	106.1 Å²	106.1	64%	0.644	54%	0.544	S	S	*	.			trans	-102	139.2	-173.1	-84.1	144.4	0	0	0	110	D38 T41 H45	D38-L43 PolarHBondContact N-O 3.06Å; D38-L43 VanDerWaalsContact N-O 3.17Å; T41-L43 PolarHBondContact O-N 3.35Å; L43-H45 PolarHBondContact O-N 3.01Å
44	K	52.3	Low	58.6	Low	127 Å²	127	105 Å²	105	55%	0.552	54%	0.544	S	S	*	.	B	Isolated β-bridge	trans	-71.6	113.8	175.5	-69.5	-179.5	179.9	179.9	0	108.7	H36 V37 R46	H36-K44 CarbonylContact O-C 3.44Å; H36-K44 WeakPolarHBondContact O-CA 3.49Å; V37-K44 HydrophobicContact CG2-CG 3.93Å; K44-R46 HydrophobicContact CB-CG 4.04Å; K44-R46 PolarHBondContact O-N 3.01Å
45	H	49.1	Very low	57.9	Low	119 Å²	119	103.3 Å²	103.3	55%	0.551	55%	0.545	S	S	*	.			trans	-68.1	70.6	155.4	-64.9	121.2	0	0	0	107.7	H36 D38 L43 T47	H36-H45 PolarHBondContact O-N 2.95Å; D38-H45 VanDerWaalsContact CB-CE1 3.4Å; D38-H45 WeakPolarHBondContact CB-CE1 3.45Å; D38-H45 WeakPolarHBondContact CB-ND1 3.08Å; D38-H45 IonicContact OD2-CE1 3.39Å; D38-H45 PolarHBondContact OD2-CE1 2.95Å; L43-H45 PolarHBondContact O-N 3.01Å; H45-T47 PolarHBondContact O-N 3.47Å
46	R	51.3	Low	57	Low	182 Å²	182	105.5 Å²	105.5	69%	0.687	55%	0.551	S	S	*	*			trans	-66.5	89.3	162	-80.6	178.3	168.3	171.4	-3.7	105.2	K44 V48	K44-R46 HydrophobicContact CB-CG 4.04Å; K44-R46 PolarHBondContact O-N 3.01Å; R46-V48 WeakPolarHBondContact O-CG2 3.12Å; R46-V48 PolarHBondContact O-N 3.28Å
47	T	54.4	Low	56.5	Low	108 Å²	108	102.5 Å²	102.5	66%	0.663	55%	0.55	S	S	*	*			trans	-57.8	96.7	153.3	42.9	0	0	0	0	105.1	H45 Q49	H45-T47 PolarHBondContact O-N 3.47Å; T47-Q49 VanDerWaalsContact C-N 3.28Å; T47-Q49 PolarHBondContact O-N 3.17Å
48	V	54.5	Low	56	Low	78 Å²	78	107.1 Å²	107.1	47%	0.473	58%	0.579	S	S	.	*			trans	-68.6	96.6	-179.6	-154.4	0	0	0	0	105	R46 R50 L59	R46-V48 WeakPolarHBondContact O-CG2 3.12Å; R46-V48 PolarHBondContact O-N 3.28Å; V48-R50 WeakPolarHBondContact CG1-O 3.41Å; V48-R50 PolarHBondContact O-N 2.88Å; V48-R50 VanDerWaalsContact O-N 3.16Å; V48-L59 WeakPolarHBondContact O-CD1 3.45Å
49	Q	51	Low	55.4	Low	146 Å²	146	107.2 Å²	107.2	68%	0.682	58%	0.579	S	S	*	*	S	Bend	trans	-65.3	-15.2	178	-75.2	-176.4	-11.7	0	0	111.8	T47 T58 L59	T47-Q49 VanDerWaalsContact C-N 3.28Å; T47-Q49 PolarHBondContact O-N 3.17Å; Q49-T58 WeakPolarHBondContact O-CA 3.48Å; Q49-L59 PolarHBondContact O-N 2.67Å; Q49-L59 VanDerWaalsContact O-N 3.16Å
50	R	50.6	Low	54.9	Low	152 Å²	152	108 Å²	108	57%	0.574	59%	0.592	S	S	*	*	B	Isolated β-bridge	trans	-125.9	152.6	-174.7	-59	-170.5	-178.3	175.3	0.6	110.4	V48 G55 G57	V48-R50 WeakPolarHBondContact CG1-O 3.41Å; V48-R50 PolarHBondContact O-N 2.88Å; V48-R50 VanDerWaalsContact O-N 3.16Å; R50-G55 WeakPolarHBondContact CD-O 3.42Å; R50-G57 WeakPolarHBondContact CA-O 3.16Å
51	D	56.9	Low	54.4	Low	69 Å²	69	107.6 Å²	107.6	37%	0.369	59%	0.587	S	S	.	*			trans	-57.1	128.6	172.5	-92.3	-36.3	0	0	0	111.1	I53 T54 G55 L59	D51-I53 PolarHBondContact O-N 2.84Å; D51-T54 WeakPolarHBondContact CB-OG1 3.5Å; D51-G55 WeakPolarHBondContact O-CA 3.44Å; D51-G55 PolarHBondContact O-N 3.12Å; D51-L59 WeakPolarHBondContact OD1-CD2 3.48Å
52	P	58.8	Low	53.8	Low	110 Å²	110	112.9 Å²	112.9	71%	0.714	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-17.3	178.8	25	-31.1	0	0	0	113.1
53	I	61.3	Low	53.2	Low	162 Å²	162	116.4 Å²	116.4	83%	0.831	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-43.6	-178.1	-61.1	174.8	0	0	0	111.2	D51	D51-I53 PolarHBondContact O-N 2.84Å
54	T	59.3	Low	52.9	Low	82 Å²	82	116.1 Å²	116.1	50%	0.503	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	-20.3	-174.3	60	0	0	0	0	113.2	D51 L56	D51-T54 WeakPolarHBondContact CB-OG1 3.5Å; T54-L56 PolarHBondContact O-N 2.89Å; T54-L56 PolarHBondContact OG1-O 3.22Å
55	G	58.8	Low	52	Low	38 Å²	38	116.2 Å²	116.2	39%	0.392	61%	0.612	S	S	.	*			trans	63.3	3.6	-176.5	0	0	0	0	0	114.9	R50 D51	R50-G55 WeakPolarHBondContact CD-O 3.42Å; D51-G55 WeakPolarHBondContact O-CA 3.44Å; D51-G55 PolarHBondContact O-N 3.12Å
56	L	46.5	Very low	51.8	Low	138 Å²	138	118.8 Å²	118.8	72%	0.723	63%	0.629	S	S	*	*			trans	-126.4	133.5	-172.4	-67.9	174.5	0	0	0	109.6	T54	T54-L56 PolarHBondContact O-N 2.89Å; T54-L56 PolarHBondContact OG1-O 3.22Å
57	G	50.3	Low	51.3	Low	50 Å²	50	113.5 Å²	113.5	52%	0.515	63%	0.632	S	S	.	*	S	Bend	trans	98.5	137.1	179.6	0	0	0	0	0	113.3	R50	R50-G57 WeakPolarHBondContact CA-O 3.16Å
58	T	50.9	Low	50.2	Low	126 Å²	126	118.6 Å²	118.6	77%	0.773	64%	0.639	S	S	*	*	B	Isolated β-bridge	trans	-74.1	125.6	166	38.4	0	0	0	0	108.5	Q49	Q49-T58 WeakPolarHBondContact O-CA 3.48Å
59	L	52	Low	49.5	Very low	43 Å²	43	121 Å²	121	23%	0.225	65%	0.653	C	S	.	*	P	Polyproline II helix	trans	-53.7	136.6	174.3	-74.8	176.6	0	0	0	109.7	V48 Q49 D51	V48-L59 WeakPolarHBondContact O-CD1 3.45Å; Q49-L59 PolarHBondContact O-N 2.67Å; Q49-L59 VanDerWaalsContact O-N 3.16Å; D51-L59 WeakPolarHBondContact OD1-CD2 3.48Å
60	P	51	Low	48.8	Very low	93 Å²	93	125 Å²	125	60%	0.604	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-56.3	145.2	176.3	21.5	-30.4	0	0	0	110.6	E62 H63	P60-E62 PolarHBondContact O-N 2.93Å; P60-H63 PolarHBondContact O-N 3.28Å; P60-H63 VanDerWaalsContact O-N 3.14Å
61	K	55.9	Low	48	Very low	178 Å²	178	124.1 Å²	124.1	77%	0.774	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-54.8	-13.9	-170.1	-72.9	-179.3	178.1	179.2	0	115.2	H63 V64	K61-H63 PolarHBondContact O-N 2.91Å; K61-V64 PolarHBondContact O-N 2.72Å
62	E	51.7	Low	47.1	Very low	186 Å²	186	125 Å²	125	87%	0.869	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-59.9	-23.1	174.6	-62.5	-170.4	169.7	0	0	113	P60	P60-E62 PolarHBondContact O-N 2.93Å
63	H	45.2	Very low	46	Very low	135 Å²	135	124.9 Å²	124.9	63%	0.625	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-87.7	-8.5	174.3	-98.8	-77.7	0	0	0	115.1	P60 K61	P60-H63 PolarHBondContact O-N 3.28Å; P60-H63 VanDerWaalsContact O-N 3.14Å; K61-H63 PolarHBondContact O-N 2.91Å
64	V	48.1	Very low	45.1	Very low	116 Å²	116	124.2 Å²	124.2	70%	0.703	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-14	-178	-178.8	0	0	0	0	112.2	K61 L66	K61-V64 PolarHBondContact O-N 2.72Å; V64-L66 PolarHBondContact O-N 3.28Å
65	E	35.4	Very low	44.3	Very low	129 Å²	129	124.1 Å²	124.1	60%	0.603	71%	0.707	S	S	*	*			trans	-93.8	38	-177.9	-63.5	-159.5	176.6	0	0	114.7	G67	E65-G67 PolarHBondContact O-N 3.03Å; E65-G67 VanDerWaalsContact O-N 3.11Å
66	L	44.6	Very low	43.7	Very low	173 Å²	173	133.2 Å²	133.2	91%	0.906	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	12.8	162.7	-89.2	156	0	0	0	113.2	V64	V64-L66 PolarHBondContact O-N 3.28Å
67	G	40.1	Very low	43.7	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	6.6	-177.3	0	0	0	0	0	116.4	E65	E65-G67 PolarHBondContact O-N 3.03Å; E65-G67 VanDerWaalsContact O-N 3.11Å
68	R	31.7	Very low	43.7	Very low	215 Å²	215	134.4 Å²	134.4	81%	0.811	75%	0.745	S	S	*	*			trans	-123.2	110.8	172.4	-81.8	-170.9	177.9	-151.3	-0.2	111.7	R70	R68-R70 VanDerWaalsContact C-N 3.28Å; R68-R70 PolarHBondContact O-N 3.04Å
69	T	38.9	Very low	43.7	Very low	127 Å²	127	136.9 Å²	136.9	78%	0.779	75%	0.745	S	S	*	*			trans	-61.5	86.8	167.4	47.3	0	0	0	0	109.1	N71	T69-N71 PolarHBondContact O-N 3.21Å
70	R	37.1	Very low	43.2	Very low	231 Å²	231	140 Å²	140	87%	0.872	76%	0.762	S	S	*	*			trans	-75.1	86.3	169.2	-162.9	179.1	-78.2	-179.8	-0.9	107.7	R68	R68-R70 VanDerWaalsContact C-N 3.28Å; R68-R70 PolarHBondContact O-N 3.04Å
71	N	34.6	Very low	43.1	Very low	133 Å²	133	140.7 Å²	140.7	71%	0.711	77%	0.765	S	S	*	*			trans	-52.2	153.4	161.5	-64.9	-24.4	0	0	0	109.9	T69	T69-N71 PolarHBondContact O-N 3.21Å
72	A	36.2	Very low	42.5	Very low	87 Å²	87	136.3 Å²	136.3	72%	0.719	75%	0.753	S	S	*	*			trans	81.3	90.5	170	0	0	0	0	0	117.2
73	S	37.3	Very low	42.4	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	75%	0.749	S	S	*	*				32	115.4	123.8	62.1	0	0	0	0	118.4
74	T	42.1	Very low	42.6	Very low	148 Å²	148	134.7 Å²	134.7	91%	0.908	75%	0.753	S	S	*	*				-167.1	111	129.8	19.5	0	0	0	0	108.7
75	G	42.5	Very low	42.3	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	75%	0.745	S	S	*	*	S	Bend	trans	99.3	2.3	151.3	0	0	0	0	0	119.9
76	R	44.9	Very low	42.7	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-83.4	129	166.6	-72	-169.3	-178.3	-130.2	1	109.6	A78	R76-A78 PolarHBondContact O-N 2.77Å; R76-A78 VanDerWaalsContact O-N 3.1Å
77	P	47.6	Very low	42.6	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-54.9	122.7	172	-0.8	5.3	0	0	0	107.6	F79	P77-F79 PolarHBondContact O-N 3.03Å; P77-F79 VanDerWaalsContact O-N 3.08Å
78	A	49.3	Very low	43.2	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-55.2	118.4	176.1	0	0	0	0	0	107.8	R76 N80	R76-A78 PolarHBondContact O-N 2.77Å; R76-A78 VanDerWaalsContact O-N 3.1Å; A78-N80 PolarHBondContact O-N 3.26Å
79	F	50.7	Low	44	Very low	178 Å²	178	134.9 Å²	134.9	78%	0.781	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-56.8	131	172.3	-74.2	-83.7	0	0	0	107.9	P77 T81	P77-F79 PolarHBondContact O-N 3.03Å; P77-F79 VanDerWaalsContact O-N 3.08Å; F79-T81 PolarHBondContact O-N 2.82Å
80	N	41.7	Very low	44.4	Very low	109 Å²	109	135.6 Å²	135.6	58%	0.583	75%	0.748	S	S	*	*			trans	-65.8	99.8	-179.4	-166.7	1.6	0	0	0	108.8	A78 T82 L83	A78-N80 PolarHBondContact O-N 3.26Å; N80-T82 PolarHBondContact ND2-OG1 3.2Å; N80-T82 PolarHBondContact O-N 3.38Å; N80-T82 VanDerWaalsContact O-N 3.08Å; N80-T82 PolarHBondContact OD1-OG1 2.95Å; N80-L83 PolarHBondContact O-N 3.28Å; N80-L83 VanDerWaalsContact O-N 3.13Å
81	T	49.4	Very low	44.7	Very low	107 Å²	107	127.9 Å²	127.9	66%	0.656	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-65.3	-10.6	-176.8	51.3	0	0	0	0	112.9	F79 L83 I84 A85	F79-T81 PolarHBondContact O-N 2.82Å; T81-L83 PolarHBondContact O-N 3.09Å; T81-I84 PolarHBondContact O-N 2.91Å; T81-I84 VanDerWaalsContact O-N 3.14Å; T81-A85 PolarHBondContact O-N 2.91Å
82	T	44	Very low	45.1	Very low	85 Å²	85	127.7 Å²	127.7	52%	0.521	74%	0.738	S	S	.	*	G	3₁₀ helix	trans	-67.2	-20.4	171.3	46.7	0	0	0	0	113.9	N80 I84	N80-T82 PolarHBondContact ND2-OG1 3.2Å; N80-T82 PolarHBondContact O-N 3.38Å; N80-T82 VanDerWaalsContact O-N 3.08Å; N80-T82 PolarHBondContact OD1-OG1 2.95Å; T82-I84 PolarHBondContact O-N 3.37Å
83	L	49.1	Very low	45.6	Very low	150 Å²	150	129.9 Å²	129.9	79%	0.785	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-74.6	-13.8	172.4	-73.2	175.5	0	0	0	113.2	N80 T81	N80-L83 PolarHBondContact O-N 3.28Å; N80-L83 VanDerWaalsContact O-N 3.13Å; T81-L83 PolarHBondContact O-N 3.09Å
84	I	50	Low	45.7	Very low	138 Å²	138	130 Å²	130	71%	0.708	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-23.6	-178.2	-56.3	175.4	0	0	0	111.3	T81 T82 W86	T81-I84 PolarHBondContact O-N 2.91Å; T81-I84 VanDerWaalsContact O-N 3.14Å; T82-I84 PolarHBondContact O-N 3.37Å; I84-W86 PolarHBondContact O-N 3.28Å
85	A	41.4	Very low	45.3	Very low	65 Å²	65	131.9 Å²	131.9	54%	0.537	74%	0.737	S	S	.	*			trans	-84.1	102.5	174.1	0	0	0	0	0	109.9	T81 D87	T81-A85 PolarHBondContact O-N 2.91Å; A85-D87 PolarHBondContact O-N 2.67Å
86	W	43.8	Very low	45.4	Very low	238 Å²	238	135.5 Å²	135.5	90%	0.902	74%	0.737	S	S	*	*			trans	-67.5	7.3	175.9	-89	-30	0	0	0	115.3	I84 V88	I84-W86 PolarHBondContact O-N 3.28Å; W86-V88 VanDerWaalsContact C-N 3.34Å; W86-V88 PolarHBondContact O-N 2.87Å; W86-V88 VanDerWaalsContact O-N 3.08Å
87	D	43.2	Very low	44.8	Very low	134 Å²	134	132.2 Å²	132.2	72%	0.717	74%	0.737	S	S	*	*			trans	-85.2	80.3	172.4	-75.5	-20	0	0	0	110.1	A85 D89	A85-D87 PolarHBondContact O-N 2.67Å; D87-D89 PolarHBondContact O-N 2.95Å
88	V	52	Low	44	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.715	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-58.6	-23.6	179.1	171.7	0	0	0	0	112.6	W86	W86-V88 VanDerWaalsContact C-N 3.34Å; W86-V88 PolarHBondContact O-N 2.87Å; W86-V88 VanDerWaalsContact O-N 3.08Å
89	D	48.8	Very low	43.3	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-85.9	-14.6	-166.5	-64.5	-19	0	0	0	114.8	D87	D87-D89 PolarHBondContact O-N 2.95Å
90	N	45.6	Very low	42.6	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-109.8	8.6	-177.6	-72.7	-13.9	0	0	0	114.5	T92	N90-T92 PolarHBondContact O-N 2.78Å
91	A	44	Very low	42.6	Very low	70 Å²	70	133.6 Å²	133.6	58%	0.579	75%	0.746	S	S	*	*			trans	-79.2	89.1	-176.4	0	0	0	0	0	112.3	V93	A91-V93 PolarHBondContact O-N 3.15Å
92	T	43.1	Very low	42	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	75%	0.754	S	S	*	*			trans	-65.2	120.7	163.7	48	0	0	0	0	109.8	N90 C94	N90-T92 PolarHBondContact O-N 2.78Å; T92-C94 PolarHBondContact O-N 3.38Å
93	V	46	Very low	41.7	Very low	133 Å²	133	143.8 Å²	143.8	81%	0.806	77%	0.773	S	S	*	*			trans	-60.8	105	-177.8	-178.5	0	0	0	0	110.5	A91 K95	A91-V93 PolarHBondContact O-N 3.15Å; V93-K95 PolarHBondContact O-N 2.78Å; V93-K95 VanDerWaalsContact O-N 3.13Å
94	C	39.5	Very low	41.6	Very low	109 Å²	109	141.9 Å²	141.9	74%	0.736	77%	0.773	S	S	*	*			trans	-62.7	114.1	169.2	-69.4	0	0	0	0	109.2	T92 N96	T92-C94 PolarHBondContact O-N 3.38Å; C94-N96 PolarHBondContact O-N 3.46Å; C94-N96 VanDerWaalsContact O-N 3.15Å
95	K	35.5	Very low	41.5	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	78%	0.78	S	S	*	*			trans	-66.4	108.9	174.3	-65.2	177.9	-178.7	176.6	0	108.2	V93 N97	V93-K95 PolarHBondContact O-N 2.78Å; V93-K95 VanDerWaalsContact O-N 3.13Å; K95-N97 PolarHBondContact O-N 2.74Å; K95-N97 VanDerWaalsContact O-N 3.14Å
96	N	43.3	Very low	41.9	Very low	156 Å²	156	150.4 Å²	150.4	83%	0.834	80%	0.795	S	S	*	*			trans	-63.6	115.9	173.6	-72.8	-23.4	0	0	0	109.3	C94	C94-N96 PolarHBondContact O-N 3.46Å; C94-N96 VanDerWaalsContact O-N 3.15Å
97	N	33.1	Very low	42.3	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	78%	0.775	S	S	*	*			trans	-60.9	139.1	174.4	-76.9	-26.5	0	0	0	110.3	K95 H99	K95-N97 PolarHBondContact O-N 2.74Å; K95-N97 VanDerWaalsContact O-N 3.14Å; N97-H99 PolarHBondContact O-N 3.11Å
98	G	30.1	Very low	42.9	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	78%	0.784	S	S	*	*			trans	-52	124.2	-165.1	0	0	0	0	0	115.3
99	H	35.5	Very low	42.7	Very low	175 Å²	175	144.4 Å²	144.4	81%	0.81	78%	0.776	S	S	*	*			trans	-125.7	105.4	138.1	-112.9	41.7	0	0	0	108.5	N97 I101	N97-H99 PolarHBondContact O-N 3.11Å; H99-I101 VanDerWaalsContact C-N 3.3Å; H99-I101 PolarHBondContact O-N 2.82Å
100	T	35.7	Very low	42.8	Very low	142 Å²	142	141.3 Å²	141.3	87%	0.871	76%	0.759	S	S	*	*			trans	-65.5	85.7	174.3	47.7	0	0	0	0	109.2
101	I	41	Very low	43.2	Very low	147 Å²	147	139.8 Å²	139.8	75%	0.754	76%	0.757	S	S	*	*			trans	-104.8	118.5	162.3	-55.9	-178.2	0	0	0	106.8	H99 K103	H99-I101 VanDerWaalsContact C-N 3.3Å; H99-I101 PolarHBondContact O-N 2.82Å; I101-K103 PolarHBondContact O-N 2.62Å
102	K	37.8	Very low	43.8	Very low	193 Å²	193	143.6 Å²	143.6	84%	0.839	77%	0.766	S	S	*	*			trans	-43.4	132.1	-170	-62.5	171.4	-179.3	177	0	110.8	S104	K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.05Å
103	K	37.3	Very low	44.3	Very low	212 Å²	212	139.6 Å²	139.6	92%	0.922	75%	0.746	S	S	*	*			trans	-53.1	88.2	174.1	-62.9	178.3	179.5	-179.7	0	109.7	I101 K105	I101-K103 PolarHBondContact O-N 2.62Å; K103-K105 PolarHBondContact O-N 3.11Å
104	S	46.2	Very low	44.7	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	74%	0.739	S	S	*	*			trans	-68.1	119.7	166.1	52.5	0	0	0	0	106.3	K102 Q106	K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.05Å; S104-Q106 PolarHBondContact O-N 3.16Å; S104-Q106 VanDerWaalsContact O-N 3.11Å
105	K	49.2	Very low	45.1	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	73%	0.733	S	S	*	*			trans	-39.4	117.7	178.8	-65.6	174.9	177.1	179.6	0	109.6	K103 P107	K103-K105 PolarHBondContact O-N 3.11Å; K105-P107 WeakPolarHBondContact O-CD 3.47Å
106	Q	49.8	Very low	46	Very low	186 Å²	186	132.2 Å²	132.2	87%	0.869	72%	0.719	S	S	*	*			trans	-51.3	112.3	169.9	-96.9	176.9	-32.9	0	0	107.9	S104 T108	S104-Q106 PolarHBondContact O-N 3.16Å; S104-Q106 VanDerWaalsContact O-N 3.11Å; Q106-T108 PolarHBondContact O-N 3.05Å
107	P	52.7	Low	46.7	Very low	74 Å²	74	130.1 Å²	130.1	48%	0.481	71%	0.708	S	S	.	*			trans	-65.4	127.3	169.9	-13.9	29.6	0	0	0	106.4	K105 R109	K105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-R109 WeakPolarHBondContact O-CG 3.45Å; P107-R109 PolarHBondContact O-N 3.02Å
108	T	55.4	Low	47.9	Very low	147 Å²	147	123.7 Å²	123.7	90%	0.902	67%	0.673	S	S	*	*			trans	-56.9	100.3	172.2	36.5	0	0	0	0	108.9	Q106	Q106-T108 PolarHBondContact O-N 3.05Å
109	R	48	Very low	49.3	Very low	144 Å²	144	121.6 Å²	121.6	54%	0.543	65%	0.651	S	S	.	*			trans	-79.1	123.7	-175.4	-72.9	175.9	170.8	-168.4	-7.7	109.8	P107 P111 E121	P107-R109 WeakPolarHBondContact O-CG 3.45Å; P107-R109 PolarHBondContact O-N 3.02Å; R109-P111 WeakPolarHBondContact O-CD 3.12Å; R109-E121 IonicContact CZ-OE1 3.29Å; R109-E121 VanDerWaalsContact CZ-OE1 3.29Å; R109-E121 IonicContact NH1-OE1 2.97Å; R109-E121 PolarHBondContact NH1-OE1 2.72Å; R109-E121 IonicContact NH2-OE1 2.95Å; R109-E121 PolarHBondContact NH2-OE1 3.46Å; R109-E121 IonicContact NH2-OE2 2.71Å
110	N	51	Low	50.7	Low	89 Å²	89	120 Å²	120	48%	0.476	65%	0.649	S	S	.	*			trans	-97.1	105.9	159.1	-168.8	-13	0	0	0	108	I112 A113	N110-I112 PolarHBondContact O-N 2.85Å; N110-I112 PolarHBondContact OD1-N 2.75Å; N110-A113 HydrophobicContact CB-CB 4.24Å; N110-A113 PolarHBondContact O-N 2.88Å
111	P	52.8	Low	51.9	Low	108 Å²	108	119.3 Å²	119.3	70%	0.701	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-21.6	-174.4	26.5	-34.2	0	0	0	113	R109	R109-P111 WeakPolarHBondContact O-CD 3.12Å
112	I	56.3	Low	53.1	Low	151 Å²	151	114.6 Å²	114.6	77%	0.774	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-38.4	-177.6	-59.8	171.2	0	0	0	111.1	N110 L114	N110-I112 PolarHBondContact O-N 2.85Å; N110-I112 PolarHBondContact OD1-N 2.75Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.41Å
113	A	54	Low	54.2	Low	44 Å²	44	108.4 Å²	108.4	36%	0.364	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-8.4	-166.7	0	0	0	0	0	113.8	N110 T115	N110-A113 HydrophobicContact CB-CB 4.24Å; N110-A113 PolarHBondContact O-N 2.88Å; A113-T115 WeakPolarHBondContact CB-OG1 3.38Å; A113-T115 WeakPolarHBondContact O-CB 3.45Å; A113-T115 WeakPolarHBondContact O-CG2 3.18Å; A113-T115 PolarHBondContact O-N 3.38Å; A113-T115 PolarHBondContact O-OG1 3.21Å
114	L	54.8	Low	55.4	Low	126 Å²	126	101.8 Å²	101.8	66%	0.66	58%	0.582	S	S	*	*			trans	41.4	24.3	-175.8	-68.7	173.6	0	0	0	114.2	I112 L118	I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.41Å; L114-L118 HydrophobicContact CD2-CD1 3.8Å
115	T	47.9	Very low	56.3	Low	98 Å²	98	103.5 Å²	103.5	60%	0.601	58%	0.581	S	S	*	*			trans	-115	129.8	-174.5	30.9	0	0	0	0	107.2	A113	A113-T115 WeakPolarHBondContact CB-OG1 3.38Å; A113-T115 WeakPolarHBondContact O-CB 3.45Å; A113-T115 WeakPolarHBondContact O-CG2 3.18Å; A113-T115 PolarHBondContact O-N 3.38Å; A113-T115 PolarHBondContact O-OG1 3.21Å
116	G	54.2	Low	56.7	Low	52 Å²	52	98.3 Å²	98.3	54%	0.536	56%	0.556	S	S	.	*	S	Bend	trans	119.1	168.2	-169.2	0	0	0	0	0	112.5	L118 R132	G116-L118 PolarHBondContact O-N 3.39Å; G116-R132 PolarHBondContact O-NH1 3.15Å
117	D	57.5	Low	57.2	Low	113 Å²	113	96.1 Å²	96.1	60%	0.604	56%	0.556	S	S	*	*			trans	-71.4	96.9	175.7	-165.5	5.2	0	0	0	108.4	G119	D117-G119 PolarHBondContact O-N 3.38Å; D117-G119 VanDerWaalsContact O-N 3.16Å
118	L	59.1	Low	57.3	Low	25 Å²	25	97 Å²	97	13%	0.131	56%	0.56	C	S	.	*			trans	-76.8	9	-178.4	-68.1	178.2	0	0	0	112.4	L114 G116 V122	L114-L118 HydrophobicContact CD2-CD1 3.8Å; G116-L118 PolarHBondContact O-N 3.39Å; L118-V122 HydrophobicContact CB-CB 4.39Å; L118-V122 HydrophobicContact CB-CG2 4Å
119	G	59.3	Low	57.2	Low	21 Å²	21	98.4 Å²	98.4	22%	0.216	56%	0.562	C	S	.	*			trans	70.7	158.2	-179.4	0	0	0	0	0	112.3	D117 E121 V122	D117-G119 PolarHBondContact O-N 3.38Å; D117-G119 VanDerWaalsContact O-N 3.16Å; G119-E121 PolarHBondContact O-N 3.29Å; G119-V122 PolarHBondContact O-N 2.96Å
120	D	64.3	Low	57.2	Low	142 Å²	142	93.8 Å²	93.8	76%	0.759	56%	0.559	S	S	*	*	H	α-helix	trans	-59.3	-18.8	-177.2	-60.5	-26.7	0	0	0	113.1	V122 D123	D120-V122 VanDerWaalsContact C-N 3.3Å; D120-V122 PolarHBondContact O-N 3.07Å; D120-D123 PolarHBondContact O-N 2.8Å
121	E	62.1	Low	57.3	Low	127 Å²	127	94.8 Å²	94.8	59%	0.593	57%	0.573	S	S	*	*	H	α-helix	trans	-61.4	-31.5	178.8	65.6	-158.6	-154.8	0	0	113.9	R109 G119	R109-E121 IonicContact CZ-OE1 3.29Å; R109-E121 VanDerWaalsContact CZ-OE1 3.29Å; R109-E121 IonicContact NH1-OE1 2.97Å; R109-E121 PolarHBondContact NH1-OE1 2.72Å; R109-E121 IonicContact NH2-OE1 2.95Å; R109-E121 PolarHBondContact NH2-OE1 3.46Å; R109-E121 IonicContact NH2-OE2 2.71Å; G119-E121 PolarHBondContact O-N 3.29Å
122	V	65.6	Low	57.3	Low	49 Å²	49	93.6 Å²	93.6	30%	0.297	56%	0.555	S	S	.	*	H	α-helix	trans	-88.9	-19.5	179.7	-170	0	0	0	0	111.8	L118 G119 D120 G124 L125 R126	L118-V122 HydrophobicContact CB-CB 4.39Å; L118-V122 HydrophobicContact CB-CG2 4Å; G119-V122 PolarHBondContact O-N 2.96Å; D120-V122 VanDerWaalsContact C-N 3.3Å; D120-V122 PolarHBondContact O-N 3.07Å; V122-G124 VanDerWaalsContact C-N 3.27Å; V122-G124 PolarHBondContact O-N 3.43Å; V122-L125 PolarHBondContact O-N 2.92Å; V122-L125 VanDerWaalsContact O-N 3.08Å; V122-R126 PolarHBondContact O-N 2.68Å
123	D	60.8	Low	56.8	Low	63 Å²	63	92 Å²	92	34%	0.337	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-28.8	-178.8	-85.7	0.2	0	0	0	112.2	D120 L125 R126 R132	D120-D123 PolarHBondContact O-N 2.8Å; D123-L125 PolarHBondContact O-N 3.37Å; D123-R126 PolarHBondContact O-N 3.48Å; D123-R126 WeakPolarHBondContact OD1-CD 3.29Å; D123-R126 IonicContact OD1-CZ 3.6Å; D123-R126 IonicContact OD1-NE 3.79Å; D123-R126 IonicContact OD1-NH1 2.72Å; D123-R126 PolarHBondContact OD1-NH1 2.87Å; D123-R132 IonicContact OD1-NE 3.88Å
124	G	62.7	Low	56.3	Low	72 Å²	72	92.8 Å²	92.8	74%	0.742	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-20.6	171.7	0	0	0	0	0	114.8	V122	V122-G124 VanDerWaalsContact C-N 3.27Å; V122-G124 PolarHBondContact O-N 3.43Å
125	L	65.5	Low	55.9	Low	147 Å²	147	92.3 Å²	92.3	77%	0.77	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-1.7	177.3	-63.9	176.9	0	0	0	112.8	V122 D123	V122-L125 PolarHBondContact O-N 2.92Å; V122-L125 VanDerWaalsContact O-N 3.08Å; D123-L125 PolarHBondContact O-N 3.37Å
126	R	57.7	Low	55.9	Low	87 Å²	87	93.1 Å²	93.1	33%	0.328	58%	0.578	S	S	.	*			trans	-82.2	134.4	179.4	-78.1	176.7	154	176.9	-17.1	111.1	V122 D123 T128 R132	V122-R126 PolarHBondContact O-N 2.68Å; D123-R126 PolarHBondContact O-N 3.48Å; D123-R126 WeakPolarHBondContact OD1-CD 3.29Å; D123-R126 IonicContact OD1-CZ 3.6Å; D123-R126 IonicContact OD1-NE 3.79Å; D123-R126 IonicContact OD1-NH1 2.72Å; D123-R126 PolarHBondContact OD1-NH1 2.87Å; R126-T128 PolarHBondContact O-N 3.24Å; R126-R132 VanDerWaalsContact CZ-CZ 3.41Å; R126-R132 VanDerWaalsContact NH2-NE 3.15Å
127	T	59.8	Low	55.4	Low	140 Å²	140	100.9 Å²	100.9	86%	0.859	59%	0.591	S	S	*	*	S	Bend	trans	-77.9	-4.5	174	54.6	0	0	0	0	113.2
128	T	54.5	Low	55.2	Low	93 Å²	93	103.4 Å²	103.4	57%	0.571	60%	0.6	S	S	*	*	S	Bend	trans	-123.1	114.4	-176.3	63.6	0	0	0	0	110.7	R126 G130	R126-T128 PolarHBondContact O-N 3.24Å; T128-G130 PolarHBondContact O-N 3.03Å
129	N	52.6	Low	54.9	Low	175 Å²	175	106.1 Å²	106.1	94%	0.936	62%	0.619	S	S	*	*			trans	-72.2	28.6	-179.4	-67	-14.9	0	0	0	114.7
130	G	49.8	Very low	54.5	Low	47 Å²	47	113 Å²	113	49%	0.485	65%	0.646	S	S	.	*			trans	-91.7	127.5	-179.8	0	0	0	0	0	111.7	T128	T128-G130 PolarHBondContact O-N 3.03Å
131	S	52	Low	54	Low	110 Å²	110	110.6 Å²	110.6	77%	0.769	63%	0.626	S	S	*	*			trans	-57.9	134.9	174	43.9	0	0	0	0	112	S133	S131-S133 PolarHBondContact O-N 2.64Å
132	R	53.4	Low	53.8	Low	84 Å²	84	109.9 Å²	109.9	32%	0.317	63%	0.626	S	S	.	*	S	Bend	trans	-71.5	24.7	-173.6	-147.7	-170.2	-109.1	-115.9	-2.7	114.5	G116 D123 R126 G134	G116-R132 PolarHBondContact O-NH1 3.15Å; D123-R132 IonicContact OD1-NE 3.88Å; R126-R132 VanDerWaalsContact CZ-CZ 3.41Å; R126-R132 VanDerWaalsContact NH2-NE 3.15Å; R132-G134 PolarHBondContact O-N 2.95Å
133	S	46	Very low	53.5	Low	117 Å²	117	113.6 Å²	113.6	82%	0.818	65%	0.651	S	S	*	*			trans	-96.3	74.6	174.9	174.8	0	0	0	0	110.5	S131	S131-S133 PolarHBondContact O-N 2.64Å
134	G	43.6	Very low	53.4	Low	60 Å²	60	119 Å²	119	62%	0.619	68%	0.678	S	S	*	*			trans	-145.9	93.8	164.5	0	0	0	0	0	107.8	R132	R132-G134 PolarHBondContact O-N 2.95Å
135	T	45.9	Very low	53.3	Low	116 Å²	116	118.6 Å²	118.6	71%	0.712	66%	0.664	S	S	*	*			trans	-47.2	125.6	164.3	44.8	0	0	0	0	107.8	R137	T135-R137 VanDerWaalsContact C-N 3.35Å; T135-R137 PolarHBondContact O-N 2.88Å
136	P	47.1	Very low	52.9	Low	115 Å²	115	113.5 Å²	113.5	75%	0.747	65%	0.647	S	S	*	*			trans	-61.8	101.5	176.1	-8.2	20.2	0	0	0	106.8	E138	P136-E138 PolarHBondContact O-N 2.81Å
137	R	45.2	Very low	52.6	Low	215 Å²	215	119.2 Å²	119.2	81%	0.811	67%	0.668	S	S	*	*			trans	-74.7	91.2	170.6	-88.1	-178.1	164	155.4	-2.9	105.9	T135	T135-R137 VanDerWaalsContact C-N 3.35Å; T135-R137 PolarHBondContact O-N 2.88Å
138	E	52	Low	52.6	Low	167 Å²	167	114.6 Å²	114.6	78%	0.78	65%	0.648	S	S	*	*			trans	-51	142.1	164.8	-70	-175.7	164.3	0	0	109	P136 Q140	P136-E138 PolarHBondContact O-N 2.81Å; E138-Q140 PolarHBondContact O-N 2.71Å
139	P	53.4	Low	52.8	Low	81 Å²	81	115.5 Å²	115.5	53%	0.526	65%	0.65	S	S	.	*			trans	-58.8	102.7	179.8	-21.2	31.8	0	0	0	110.7	R141 F150	P139-R141 PolarHBondContact O-N 2.75Å; P139-F150 HydrophobicContact CB-CD1 4.31Å
140	Q	51.3	Low	52.8	Low	167 Å²	167	110.9 Å²	110.9	78%	0.78	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.5	64.3	178.8	-154.9	169.3	15.3	0	0	109.2	E138 G148 N149	E138-Q140 PolarHBondContact O-N 2.71Å; Q140-G148 WeakPolarHBondContact O-CA 3.32Å; Q140-N149 PolarHBondContact O-N 3.44Å
141	R	52.5	Low	53.1	Low	91 Å²	91	109.4 Å²	109.4	34%	0.343	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.9	127.3	172.3	-101.3	-166.7	172.7	-143.6	-7.7	111	P139 G146 R147 G148 F150	P139-R141 PolarHBondContact O-N 2.75Å; R141-G146 PolarHBondContact NH1-O 2.97Å; R141-G146 PolarHBondContact NH2-O 3.24Å; R141-R147 WeakPolarHBondContact CG-O 3.38Å; R141-G148 PolarHBondContact NE-O 3.02Å; R141-G148 PolarHBondContact NH2-O 3.48Å; R141-F150 HydrophobicContact CB-CD1 3.95Å; R141-F150 HydrophobicContact CB-CE1 3.45Å; R141-F150 VanDerWaalsContact CB-CE1 3.45Å; R141-F150 HydrophobicContact CB-CE2 4.38Å; R141-F150 HydrophobicContact CB-CZ 3.69Å; R141-F150 VanDerWaalsContact CD-CD2 3.45Å; R141-F150 HydrophobicContact CG-CD1 4.4Å; R141-F150 HydrophobicContact CG-CE1 4.16Å; R141-F150 HydrophobicContact CG-CE2 4.3Å; R141-F150 HydrophobicContact CG-CZ 4.09Å
142	D	58	Low	53.3	Low	111 Å²	111	110.6 Å²	110.6	59%	0.594	60%	0.604	S	S	*	*			trans	-67.7	128	167	-87	-25.9	0	0	0	110.3	I144 S145 G146	D142-I144 PolarHBondContact O-N 3.34Å; D142-S145 WeakPolarHBondContact CB-OG 3.39Å; D142-G146 PolarHBondContact O-N 3.43Å
143	P	60.1	Low	53.3	Low	128 Å²	128	112.2 Å²	112.2	83%	0.831	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-26.5	177.6	-22.3	31.7	0	0	0	113.8
144	I	57.6	Low	53.6	Low	175 Å²	175	111 Å²	111	90%	0.897	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-40.8	-171.5	-59.1	170.9	0	0	0	111.5	D142	D142-I144 PolarHBondContact O-N 3.34Å
145	S	61.1	Low	53.8	Low	65 Å²	65	116.5 Å²	116.5	46%	0.455	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.2	-14.6	-176	71.7	0	0	0	0	113.3	D142 R147	D142-S145 WeakPolarHBondContact CB-OG 3.39Å; S145-R147 PolarHBondContact O-N 3.22Å
146	G	58.3	Low	54.3	Low	39 Å²	39	113.6 Å²	113.6	40%	0.402	57%	0.574	S	S	.	*			trans	58.9	18.5	-178.9	0	0	0	0	0	113.6	R141 D142	R141-G146 PolarHBondContact NH1-O 2.97Å; R141-G146 PolarHBondContact NH2-O 3.24Å; D142-G146 PolarHBondContact O-N 3.43Å
147	R	49.4	Very low	54.5	Low	207 Å²	207	112.6 Å²	112.6	78%	0.781	57%	0.567	S	S	*	*			trans	-110.2	133.9	179.3	-73.5	-166.8	178.6	-159.9	2.3	111.2	R141 S145	R141-R147 WeakPolarHBondContact CG-O 3.38Å; S145-R147 PolarHBondContact O-N 3.22Å
148	G	60.3	Low	55.1	Low	43 Å²	43	109.9 Å²	109.9	44%	0.443	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	139.8	-161.5	-179.2	0	0	0	0	0	111.9	Q140 R141	Q140-G148 WeakPolarHBondContact O-CA 3.32Å; R141-G148 PolarHBondContact NE-O 3.02Å; R141-G148 PolarHBondContact NH2-O 3.48Å
149	N	58.7	Low	54.8	Low	113 Å²	113	103.5 Å²	103.5	60%	0.604	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	122	175.9	-171.3	12.8	0	0	0	109.6	Q140 G151	Q140-N149 PolarHBondContact O-N 3.44Å; N149-G151 PolarHBondContact O-N 3.01Å; N149-G151 VanDerWaalsContact O-N 3.09Å; N149-G151 PolarHBondContact OD1-N 3.16Å
150	F	54.1	Low	54.7	Low	78 Å²	78	110.2 Å²	110.2	34%	0.342	56%	0.561	S	S	.	*			trans	-74.1	9.9	175.7	-71.2	-63.2	0	0	0	113.1	P139 R141 R153 E154	P139-F150 HydrophobicContact CB-CD1 4.31Å; R141-F150 HydrophobicContact CB-CD1 3.95Å; R141-F150 HydrophobicContact CB-CE1 3.45Å; R141-F150 VanDerWaalsContact CB-CE1 3.45Å; R141-F150 HydrophobicContact CB-CE2 4.38Å; R141-F150 HydrophobicContact CB-CZ 3.69Å; R141-F150 VanDerWaalsContact CD-CD2 3.45Å; R141-F150 HydrophobicContact CG-CD1 4.4Å; R141-F150 HydrophobicContact CG-CE1 4.16Å; R141-F150 HydrophobicContact CG-CE2 4.3Å; R141-F150 HydrophobicContact CG-CZ 4.09Å; F150-R153 VanDerWaalsContact O-O 3.09Å; F150-E154 HydrophobicContact CB-CG 4.26Å
151	G	54.8	Low	54.2	Low	15 Å²	15	112 Å²	112	16%	0.155	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	59.4	-165.8	-168.7	0	0	0	0	0	111.5	N149 R153	N149-G151 PolarHBondContact O-N 3.01Å; N149-G151 VanDerWaalsContact O-N 3.09Å; N149-G151 PolarHBondContact OD1-N 3.16Å; G151-R153 PolarHBondContact O-N 3.05Å
152	D	55.6	Low	54	Low	135 Å²	135	114 Å²	114	72%	0.722	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	10.4	-179.6	-57.3	-42.6	0	0	0	113	R166	D152-R166 WeakPolarHBondContact O-CB 3.43Å; D152-R166 WeakPolarHBondContact O-CD 3.14Å; D152-R166 WeakPolarHBondContact O-CG 3.29Å; D152-R166 PolarHBondContact O-N 3.33Å
153	R	53.5	Low	53.5	Low	118 Å²	118	109.4 Å²	109.4	45%	0.445	56%	0.558	S	S	.	*			trans	-141.7	92.4	-170.2	-154.2	166.8	-167	158.2	9.1	110.1	F150 G151 W155 N162 G163	F150-R153 VanDerWaalsContact O-O 3.09Å; G151-R153 PolarHBondContact O-N 3.05Å; R153-W155 PolarHBondContact O-N 2.96Å; R153-N162 PolarHBondContact NH2-O 3.25Å; R153-G163 WeakPolarHBondContact CG-O 3.06Å; R153-G163 PolarHBondContact NE-O 3.48Å; R153-G163 PolarHBondContact NH2-O 3.14Å
154	E	53.9	Low	53.2	Low	91 Å²	91	111.4 Å²	111.4	43%	0.425	55%	0.554	S	S	.	*			trans	-65.8	132.5	172.5	-80.2	168.4	158.7	0	0	109.5	F150 D156 R166	F150-E154 HydrophobicContact CB-CG 4.26Å; E154-D156 PolarHBondContact O-N 3.25Å; E154-R166 IonicContact OE1-CZ 3.21Å; E154-R166 IonicContact OE1-NE 3.88Å; E154-R166 IonicContact OE1-NH1 3.99Å; E154-R166 IonicContact OE1-NH2 2.62Å; E154-R166 PolarHBondContact OE1-NH2 2.82Å; E154-R166 IonicContact OE2-CZ 3.37Å; E154-R166 IonicContact OE2-NE 3.58Å; E154-R166 PolarHBondContact OE2-NE 3.16Å; E154-R166 IonicContact OE2-NH2 3.11Å; E154-R166 PolarHBondContact OE2-NH2 3.23Å; E154-R166 VanDerWaalsContact OE2-NH2 3.11Å
155	W	46.4	Very low	52.8	Low	177 Å²	177	108.3 Å²	108.3	67%	0.67	54%	0.543	S	S	*	.			trans	-77	112.6	175.9	-160.8	91.2	0	0	0	108.3	R153 P157	R153-W155 PolarHBondContact O-N 2.96Å; W155-P157 HydrophobicContact CE3-CG 4.22Å; W155-P157 HydrophobicContact CZ3-CB 3.93Å; W155-P157 HydrophobicContact CZ3-CG 4Å
156	D	56.1	Low	52	Low	54 Å²	54	109.5 Å²	109.5	29%	0.289	54%	0.537	S	S	.	.			trans	-94.1	117.1	177.3	-176.5	-10.2	0	0	0	109.2	E154 I158 G159	E154-D156 PolarHBondContact O-N 3.25Å; D156-I158 PolarHBondContact O-N 2.81Å; D156-I158 PolarHBondContact OD1-N 3.22Å; D156-G159 PolarHBondContact O-N 3.43Å
157	P	51.1	Low	51.5	Low	95 Å²	95	118.6 Å²	118.6	62%	0.617	56%	0.56	S	S	*	*	S	Bend	trans	-61.6	-24.5	180	-21	31.5	0	0	0	114.6	W155	W155-P157 HydrophobicContact CE3-CG 4.22Å; W155-P157 HydrophobicContact CZ3-CB 3.93Å; W155-P157 HydrophobicContact CZ3-CG 4Å
158	I	59.9	Low	51.1	Low	158 Å²	158	112.4 Å²	112.4	81%	0.81	55%	0.553	S	S	*	*	S	Bend	trans	-78.7	-33.3	-178.3	-58.7	173.6	0	0	0	110.1	D156 R160	D156-I158 PolarHBondContact O-N 2.81Å; D156-I158 PolarHBondContact OD1-N 3.22Å; I158-R160 PolarHBondContact O-N 2.79Å
159	G	43.9	Very low	50.2	Low	32 Å²	32	119.3 Å²	119.3	33%	0.33	57%	0.57	S	S	.	*			trans	-95.3	86.5	178.1	0	0	0	0	0	111.6	D156 Y161	D156-G159 PolarHBondContact O-N 3.43Å; G159-Y161 PolarHBondContact O-N 3.12Å
160	R	52.2	Low	49.4	Very low	222 Å²	222	116.7 Å²	116.7	84%	0.838	56%	0.561	S	S	*	*			trans	-59.6	8.3	174	-70.9	-156.2	-170.1	-105.3	5.7	115.7	I158	I158-R160 PolarHBondContact O-N 2.79Å
161	Y	40.2	Very low	49.2	Very low	204 Å²	204	119.1 Å²	119.1	80%	0.8	59%	0.588	S	S	*	*	S	Bend	trans	-138.4	117.6	179.8	-72.1	-83.2	0	0	0	110	G159 G163	G159-Y161 PolarHBondContact O-N 3.12Å; Y161-G163 PolarHBondContact O-N 2.78Å
162	N	48.5	Very low	48.5	Very low	135 Å²	135	123.3 Å²	123.3	72%	0.722	61%	0.61	S	S	*	*	S	Bend	trans	43.4	73.2	163.6	-81.1	0.9	0	0	0	113.1	R153	R153-N162 PolarHBondContact NH2-O 3.25Å
163	G	47.5	Very low	48	Very low	13 Å²	13	119.7 Å²	119.7	13%	0.134	61%	0.605	C	S	.	*			trans	-32.5	139.6	-176.6	0	0	0	0	0	113.5	R153 Y161 T165	R153-G163 WeakPolarHBondContact CG-O 3.06Å; R153-G163 PolarHBondContact NE-O 3.48Å; R153-G163 PolarHBondContact NH2-O 3.14Å; Y161-G163 PolarHBondContact O-N 2.78Å; G163-T165 PolarHBondContact O-N 3.02Å
164	K	53.5	Low	47.6	Very low	171 Å²	171	118.9 Å²	118.9	74%	0.743	61%	0.609	S	S	*	*			trans	-44.3	122.2	-178.1	-78.2	173.8	178.3	166.6	0	109.3	R166	K164-R166 PolarHBondContact O-N 2.69Å
165	T	48.9	Very low	47.5	Very low	110 Å²	110	123.6 Å²	123.6	68%	0.675	62%	0.623	S	S	*	*			trans	-50.9	119.4	171.2	-51.2	0	0	0	0	106.5	G163 R167	G163-T165 PolarHBondContact O-N 3.02Å; T165-R167 PolarHBondContact O-N 3.38Å
166	R	44.6	Very low	48.2	Very low	89 Å²	89	118.4 Å²	118.4	34%	0.336	61%	0.611	S	S	.	*			trans	-56.5	134.5	172.2	-65.9	179.8	111.1	-166.9	-0.8	105.5	D152 E154 K164 A168	D152-R166 WeakPolarHBondContact O-CB 3.43Å; D152-R166 WeakPolarHBondContact O-CD 3.14Å; D152-R166 WeakPolarHBondContact O-CG 3.29Å; D152-R166 PolarHBondContact O-N 3.33Å; E154-R166 IonicContact OE1-CZ 3.21Å; E154-R166 IonicContact OE1-NE 3.88Å; E154-R166 IonicContact OE1-NH1 3.99Å; E154-R166 IonicContact OE1-NH2 2.62Å; E154-R166 PolarHBondContact OE1-NH2 2.82Å; E154-R166 IonicContact OE2-CZ 3.37Å; E154-R166 IonicContact OE2-NE 3.58Å; E154-R166 PolarHBondContact OE2-NE 3.16Å; E154-R166 IonicContact OE2-NH2 3.11Å; E154-R166 PolarHBondContact OE2-NH2 3.23Å; E154-R166 VanDerWaalsContact OE2-NH2 3.11Å; K164-R166 PolarHBondContact O-N 2.69Å; R166-A168 PolarHBondContact O-N 3.14Å
167	R	48.4	Very low	48	Very low	230 Å²	230	117.4 Å²	117.4	87%	0.868	61%	0.605	S	S	*	*			trans	-49.2	113.7	169	176.4	-177.5	-88.6	-146.5	-3.1	104.9	T165 K169	T165-R167 PolarHBondContact O-N 3.38Å; R167-K169 PolarHBondContact O-N 3.33Å
168	A	41.3	Very low	48.4	Very low	77 Å²	77	118.9 Å²	118.9	64%	0.636	62%	0.615	S	S	*	*			trans	-49.4	121.5	-178.2	0	0	0	0	0	105.6	R166 S170	R166-A168 PolarHBondContact O-N 3.14Å; A168-S170 PolarHBondContact O-N 3.25Å
169	K	41.5	Very low	48.4	Very low	188 Å²	188	119 Å²	119	82%	0.817	62%	0.616	S	S	*	*			trans	-62.1	90.7	160.8	-67.3	175.7	-178.8	177.4	0	102.1	R167 S171	R167-K169 PolarHBondContact O-N 3.33Å; K169-S171 VanDerWaalsContact C-N 3.32Å; K169-S171 PolarHBondContact O-N 3.05Å
170	S	41.4	Very low	49.3	Very low	58 Å²	58	121.7 Å²	121.7	41%	0.406	63%	0.626	S	S	.	*			trans	-58.7	108.1	-179	50.9	0	0	0	0	104.4	A168 T172 G173	A168-S170 PolarHBondContact O-N 3.25Å; S170-T172 WeakPolarHBondContact CB-O 3.06Å; S170-T172 CarbonylContact O-C 3.36Å; S170-T172 PolarHBondContact O-N 3.15Å; S170-T172 PolarHBondContact OG-O 3.27Å; S170-G173 PolarHBondContact O-N 2.72Å
171	S	49.2	Very low	49.4	Very low	129 Å²	129	113.7 Å²	113.7	90%	0.902	61%	0.613	S	S	*	*	S	Bend	trans	-55.4	-23.4	174.1	-178.1	0	0	0	0	109.7	K169	K169-S171 VanDerWaalsContact C-N 3.32Å; K169-S171 PolarHBondContact O-N 3.05Å
172	T	40.2	Very low	50.6	Low	103 Å²	103	110 Å²	110	63%	0.632	60%	0.603	S	S	*	*	S	Bend	trans	-100.1	90.4	163.5	50.9	0	0	0	0	108.6	S170 I174	S170-T172 WeakPolarHBondContact CB-O 3.06Å; S170-T172 CarbonylContact O-C 3.36Å; S170-T172 PolarHBondContact O-N 3.15Å; S170-T172 PolarHBondContact OG-O 3.27Å; T172-I174 PolarHBondContact O-N 3.08Å
173	G	45.6	Very low	50.7	Low	60 Å²	60	108.7 Å²	108.7	62%	0.619	60%	0.596	S	S	*	*			trans	-62.7	60	-173.7	0	0	0	0	0	116	S170 R175	S170-G173 PolarHBondContact O-N 2.72Å; G173-R175 VanDerWaalsContact C-N 3.34Å; G173-R175 PolarHBondContact O-N 3.03Å
174	I	45.2	Very low	50.9	Low	100 Å²	100	110.7 Å²	110.7	51%	0.513	60%	0.602	S	S	.	*			trans	-75	90.2	170.3	-54.1	170.6	0	0	0	106.4	T172 T176 N183	T172-I174 PolarHBondContact O-N 3.08Å; I174-T176 PolarHBondContact O-N 3.37Å; I174-N183 HydrophobicContact CG2-CB 3.97Å; I174-N183 VanDerWaalsContact CG2-CG 3.45Å; I174-N183 WeakPolarHBondContact CG2-OD1 3.34Å
175	R	52.1	Low	50.7	Low	191 Å²	191	112.2 Å²	112.2	72%	0.721	61%	0.609	S	S	*	*			trans	-82.2	110	174.7	-63.6	177	94.1	-164.7	4.8	107.4	G173	G173-R175 VanDerWaalsContact C-N 3.34Å; G173-R175 PolarHBondContact O-N 3.03Å
176	T	61.2	Low	50.5	Low	68 Å²	68	113 Å²	113	42%	0.417	61%	0.614	S	S	.	*	B	Isolated β-bridge	trans	-80	143	172.8	39.9	0	0	0	0	110.8	I174 E182 N183	I174-T176 PolarHBondContact O-N 3.37Å; T176-E182 WeakPolarHBondContact CA-O 3.46Å; T176-N183 WeakPolarHBondContact CG2-OD1 3.28Å
177	N	52	Low	50.4	Low	33 Å²	33	114 Å²	114	18%	0.176	62%	0.621	C	S	.	*			trans	-66.3	125.8	171.7	179.9	-13.4	0	0	0	109.4	L179 T180 G181 E182 M184	N177-L179 PolarHBondContact O-N 3.48Å; N177-L179 PolarHBondContact OD1-N 3.13Å; N177-T180 WeakPolarHBondContact CB-OG1 3.04Å; N177-T180 PolarHBondContact ND2-OG1 3.22Å; N177-G181 WeakPolarHBondContact O-CA 3.32Å; N177-G181 PolarHBondContact O-N 3.07Å; N177-E182 PolarHBondContact N-O 2.78Å; N177-E182 VanDerWaalsContact N-O 3.09Å; N177-M184 HydrophobicContact CB-CE 3.66Å; N177-M184 HydrophobicContact CB-CG 4.25Å; N177-M184 HydrophobicContact CB-SD 3.76Å; N177-M184 WeakPolarHBondContact ND2-CE 3.33Å
178	P	60	Low	50.3	Low	126 Å²	126	109.1 Å²	109.1	82%	0.818	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-20	-179.5	26.9	-35.9	0	0	0	114.3
179	L	59.8	Low	50.4	Low	161 Å²	161	110.4 Å²	110.4	84%	0.843	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-32.5	-178	-67.2	169.3	0	0	0	113.3	N177	N177-L179 PolarHBondContact O-N 3.48Å; N177-L179 PolarHBondContact OD1-N 3.13Å
180	T	62.1	Low	50.2	Low	87 Å²	87	109.5 Å²	109.5	53%	0.534	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.9	-12.1	-176.8	64.7	0	0	0	0	113.9	N177 E182	N177-T180 WeakPolarHBondContact CB-OG1 3.04Å; N177-T180 PolarHBondContact ND2-OG1 3.22Å; T180-E182 PolarHBondContact O-N 3.02Å; T180-E182 VanDerWaalsContact O-N 3.09Å
181	G	55	Low	50.4	Low	54 Å²	54	110.3 Å²	110.3	56%	0.557	63%	0.627	S	S	*	*			trans	69	-1.7	-176.4	0	0	0	0	0	114.7	N177	N177-G181 WeakPolarHBondContact O-CA 3.32Å; N177-G181 PolarHBondContact O-N 3.07Å
182	E	63.7	Low	50	Low	128 Å²	128	113 Å²	113	60%	0.598	63%	0.626	S	S	*	*			trans	-75.5	141.1	-176.1	-160.7	178.8	175.7	0	0	111.7	T176 N177 T180 M184	T176-E182 WeakPolarHBondContact CA-O 3.46Å; N177-E182 PolarHBondContact N-O 2.78Å; N177-E182 VanDerWaalsContact N-O 3.09Å; T180-E182 PolarHBondContact O-N 3.02Å; T180-E182 VanDerWaalsContact O-N 3.09Å; E182-M184 PolarHBondContact O-N 3.1Å
183	N	52.1	Low	50	Low	107 Å²	107	116.9 Å²	116.9	57%	0.572	64%	0.637	S	S	*	*	B	Isolated β-bridge	trans	-69.3	88.7	176	-77.1	-26	0	0	0	110.1	I174 T176 K185	I174-N183 HydrophobicContact CG2-CB 3.97Å; I174-N183 VanDerWaalsContact CG2-CG 3.45Å; I174-N183 WeakPolarHBondContact CG2-OD1 3.34Å; T176-N183 WeakPolarHBondContact CG2-OD1 3.28Å; N183-K185 PolarHBondContact O-N 3.27Å; N183-K185 VanDerWaalsContact O-N 3.16Å
184	M	51.1	Low	49.8	Very low	54 Å²	54	124.5 Å²	124.5	27%	0.266	65%	0.647	S	S	.	*			trans	-83	97.8	177.4	-65.8	-171	-178.5	0	0	109.8	N177 E182 T186 F187	N177-M184 HydrophobicContact CB-CE 3.66Å; N177-M184 HydrophobicContact CB-CG 4.25Å; N177-M184 HydrophobicContact CB-SD 3.76Å; N177-M184 WeakPolarHBondContact ND2-CE 3.33Å; E182-M184 PolarHBondContact O-N 3.1Å; M184-T186 PolarHBondContact O-N 3.03Å; M184-F187 HydrophobicContact CB-CD1 3.95Å; M184-F187 HydrophobicContact SD-CB 4.42Å; M184-F187 HydrophobicContact SD-CD1 4.17Å; M184-F187 HydrophobicContact SD-CG 4.48Å
185	K	50.2	Low	49.4	Very low	203 Å²	203	123 Å²	123	88%	0.883	64%	0.644	S	S	*	*	S	Bend	trans	-59	-28.8	178	-162.2	171.9	-177	-178.9	0	112.1	N183	N183-K185 PolarHBondContact O-N 3.27Å; N183-K185 VanDerWaalsContact O-N 3.16Å
186	T	43.5	Very low	49.1	Very low	126 Å²	126	120.6 Å²	120.6	77%	0.773	65%	0.646	S	S	*	*			trans	-156.9	125.9	174.8	49.7	0	0	0	0	109	M184	M184-T186 PolarHBondContact O-N 3.03Å
187	F	43.3	Very low	48.1	Very low	111 Å²	111	124.6 Å²	124.6	49%	0.487	67%	0.665	S	S	.	*			trans	-130.8	130	158	68	-86.5	0	0	0	109.3	M184 V189	M184-F187 HydrophobicContact CB-CD1 3.95Å; M184-F187 HydrophobicContact SD-CB 4.42Å; M184-F187 HydrophobicContact SD-CD1 4.17Å; M184-F187 HydrophobicContact SD-CG 4.48Å; F187-V189 HydrophobicContact CD2-CG2 4.01Å; F187-V189 HydrophobicContact CE2-CG2 3.63Å; F187-V189 PolarHBondContact O-N 3.45Å
188	T	46.2	Very low	47.5	Very low	127 Å²	127	132.4 Å²	132.4	78%	0.779	69%	0.692	S	S	*	*			trans	-72.9	111.2	172	-37.8	0	0	0	0	106.6	M190	T188-M190 VanDerWaalsContact C-N 3.33Å; T188-M190 PolarHBondContact O-N 2.85Å
189	V	44	Very low	46.3	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.636	69%	0.691	S	S	*	*			trans	-68	99.7	170.7	-178.3	0	0	0	0	105.8	F187 A191	F187-V189 HydrophobicContact CD2-CG2 4.01Å; F187-V189 HydrophobicContact CE2-CG2 3.63Å; F187-V189 PolarHBondContact O-N 3.45Å; V189-A191 HydrophobicContact CG1-CB 4.33Å; V189-A191 PolarHBondContact O-N 3.32Å
190	M	37.3	Very low	45.6	Very low	168 Å²	168	134.1 Å²	134.1	83%	0.828	69%	0.69	S	S	*	*			trans	-66.5	82.6	160.3	-64.1	-66.8	-82.1	0	0	105.2	T188 E192	T188-M190 VanDerWaalsContact C-N 3.33Å; T188-M190 PolarHBondContact O-N 2.85Å; M190-E192 PolarHBondContact O-N 3.42Å
191	A	44.8	Very low	44.8	Very low	75 Å²	75	133.4 Å²	133.4	62%	0.62	70%	0.699	S	S	*	*			trans	-62.6	110.2	169.8	0	0	0	0	0	104.6	V189 E193	V189-A191 HydrophobicContact CG1-CB 4.33Å; V189-A191 PolarHBondContact O-N 3.32Å; A191-E193 PolarHBondContact O-N 3.02Å
192	E	40.7	Very low	44.2	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	71%	0.705	S	S	*	*			trans	-41.3	112.5	174.9	-64.8	176.8	-177.9	0	0	108.1	M190 R194	M190-E192 PolarHBondContact O-N 3.42Å; E192-R194 PolarHBondContact O-N 2.88Å
193	E	39.7	Very low	42.9	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	69%	0.694	S	S	*	*			trans	-56.8	116.5	-177.7	-74.3	-173.7	150.2	0	0	107	A191 C195	A191-E193 PolarHBondContact O-N 3.02Å; E193-C195 PolarHBondContact O-N 3.06Å
194	R	41.2	Very low	42.3	Very low	219 Å²	219	136.3 Å²	136.3	83%	0.826	71%	0.705	S	S	*	*			trans	-50.3	117.2	170.7	-71.7	175.1	173	163.9	-2.7	106.9	E192 N196	E192-R194 PolarHBondContact O-N 2.88Å; R194-N196 VanDerWaalsContact C-N 3.33Å; R194-N196 PolarHBondContact O-N 3.3Å; R194-N196 PolarHBondContact O-OD1 3.27Å
195	C	37.6	Very low	42.1	Very low	68 Å²	68	142.6 Å²	142.6	46%	0.459	73%	0.725	S	S	.	*			trans	-55	98	172.3	-72.9	0	0	0	0	109	E193 N197	E193-C195 PolarHBondContact O-N 3.06Å; C195-N197 VanDerWaalsContact C-N 3.3Å
196	N	45.6	Very low	41.8	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	73%	0.725	S	S	*	*			trans	-82.1	-12.6	179.4	-70.3	-30.8	0	0	0	112.1	R194 R198	R194-N196 VanDerWaalsContact C-N 3.33Å; R194-N196 PolarHBondContact O-N 3.3Å; R194-N196 PolarHBondContact O-OD1 3.27Å; N196-R198 PolarHBondContact O-N 3.2Å
197	N	39.3	Very low	42	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	71%	0.712	S	S	*	*			trans	-93.4	84.1	177.2	-70.1	-5.9	0	0	0	110.1	C195	C195-N197 VanDerWaalsContact C-N 3.3Å
198	R	39.6	Very low	42.5	Very low	196 Å²	196	137.3 Å²	137.3	74%	0.74	72%	0.716	S	S	*	*			trans	-90.7	90.4	164.8	-67.9	-179	178.6	-172.8	-1.5	108.4	N196	N196-R198 PolarHBondContact O-N 3.2Å
199	E	35.4	Very low	42.5	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	69%	0.694	S	S	*	*	S	Bend	trans	-97.5	118.1	161.3	-159.3	172.2	-171.4	0	0	107.7	G201	E199-G201 PolarHBondContact O-N 3.43Å
200	N	45.5	Very low	42.6	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.5	44.4	-179.6	-63.1	-18.2	0	0	0	116.9	V202	N200-V202 PolarHBondContact O-N 2.92Å
201	G	45.8	Very low	43.2	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.9	-3.3	155.5	0	0	0	0	0	117.1	E199	E199-G201 PolarHBondContact O-N 3.43Å
202	V	42.3	Very low	44.1	Very low	111 Å²	111	132.7 Å²	132.7	67%	0.673	67%	0.671	S	S	*	*			trans	-116.4	109.5	176.4	-174.6	0	0	0	0	108.9	N200 K204	N200-V202 PolarHBondContact O-N 2.92Å; V202-K204 PolarHBondContact O-N 3.16Å
203	C	36.9	Very low	44.4	Very low	53 Å²	53	133 Å²	133	36%	0.358	67%	0.67	S	S	.	*			trans	-58.5	113.4	168.7	-78.7	0	0	0	0	107.9	R205	C203-R205 PolarHBondContact O-N 3.21Å
204	K	38.7	Very low	45.1	Very low	186 Å²	186	128.3 Å²	128.3	81%	0.809	65%	0.654	S	S	*	*			trans	-65.3	82.8	158.6	-68.2	-172.2	-179.1	-179.6	0	106.2	V202 N206	V202-K204 PolarHBondContact O-N 3.16Å; K204-N206 PolarHBondContact O-N 2.89Å
205	R	47.4	Very low	45.6	Very low	185 Å²	185	120.1 Å²	120.1	70%	0.698	64%	0.637	S	S	*	*			trans	-55.4	124.4	162.4	-82.3	-176.6	-79.2	135.1	-3.6	104.1	C203 V207	C203-R205 PolarHBondContact O-N 3.21Å; R205-V207 HydrophobicContact CB-CG2 3.53Å; R205-V207 PolarHBondContact O-N 2.96Å
206	N	42.7	Very low	46.3	Very low	163 Å²	163	123.5 Å²	123.5	87%	0.872	65%	0.647	S	S	*	*			trans	-65.6	76.5	155.7	-67.9	-21.7	0	0	0	104.8	K204 S208	K204-N206 PolarHBondContact O-N 2.89Å; N206-S208 VanDerWaalsContact C-N 3.29Å; N206-S208 PolarHBondContact O-N 3.22Å
207	V	49.2	Very low	46.3	Very low	84 Å²	84	121.7 Å²	121.7	51%	0.509	64%	0.637	S	S	.	*			trans	-63.5	103.2	177	178.9	0	0	0	0	103.2	R205 T209	R205-V207 HydrophobicContact CB-CG2 3.53Å; R205-V207 PolarHBondContact O-N 2.96Å; V207-T209 PolarHBondContact O-N 3.32Å
208	S	52	Low	46.8	Very low	82 Å²	82	116.2 Å²	116.2	57%	0.573	61%	0.61	S	S	*	*			trans	-47.6	109.7	166	166.8	0	0	0	0	106.2	N206 K210	N206-S208 VanDerWaalsContact C-N 3.29Å; N206-S208 PolarHBondContact O-N 3.22Å; S208-K210 PolarHBondContact O-N 2.78Å; S208-K210 WeakPolarHBondContact OG-CB 3.46Å; S208-K210 PolarHBondContact OG-N 3.16Å
209	T	47.8	Very low	47.6	Very low	50 Å²	50	114.4 Å²	114.4	31%	0.307	61%	0.61	S	S	.	*			trans	-66.2	7.5	176.5	32.7	0	0	0	0	111.6	V207 N217 C218	V207-T209 PolarHBondContact O-N 3.32Å; T209-N217 VanDerWaalsContact CB-OD1 3.3Å; T209-N217 WeakPolarHBondContact CB-OD1 3.44Å; T209-N217 CarbonylContact O-C 3.55Å; T209-N217 PolarHBondContact OG1-OD1 2.94Å; T209-C218 VanDerWaalsContact CB-O 3.29Å; T209-C218 WeakPolarHBondContact CB-O 3.44Å; T209-C218 CarbonylContact O-C 3.6Å; T209-C218 WeakPolarHBondContact O-CA 3.48Å; T209-C218 PolarHBondContact O-N 3.33Å
210	K	45.1	Very low	48	Very low	119 Å²	119	113 Å²	113	52%	0.517	61%	0.608	S	S	.	*	B	Isolated β-bridge	trans	-78.6	129.7	179.3	-61.3	-176.4	178.4	-173.7	0	111.9	S208 I212 E216	S208-K210 PolarHBondContact O-N 2.78Å; S208-K210 WeakPolarHBondContact OG-CB 3.46Å; S208-K210 PolarHBondContact OG-N 3.16Å; K210-I212 PolarHBondContact O-N 3.02Å; K210-E216 CarbonylContact C-O 3.55Å; K210-E216 VanDerWaalsContact CA-O 3.27Å; K210-E216 WeakPolarHBondContact CA-O 3.27Å
211	N	49.6	Very low	48.2	Very low	48 Å²	48	111.3 Å²	111.3	26%	0.257	59%	0.591	S	S	.	*			trans	-64.8	127	172.8	-160.4	-10.2	0	0	0	110.5	F213 T214 G215 E216 Y221	N211-F213 PolarHBondContact O-N 2.99Å; N211-T214 WeakPolarHBondContact CB-OG1 3.47Å; N211-T214 PolarHBondContact O-N 3.01Å; N211-G215 VanDerWaalsContact O-CA 3.31Å; N211-G215 WeakPolarHBondContact O-CA 3.31Å; N211-G215 PolarHBondContact O-N 3.01Å; N211-E216 PolarHBondContact N-O 3.47Å; N211-Y221 WeakPolarHBondContact CA-OH 3.29Å; N211-Y221 WeakPolarHBondContact CB-OH 3.3Å; N211-Y221 PolarHBondContact N-OH 2.91Å
212	I	64.4	Low	48	Very low	162 Å²	162	114.5 Å²	114.5	83%	0.831	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-26.3	-173.5	-45.9	173.2	0	0	0	111	K210	K210-I212 PolarHBondContact O-N 3.02Å
213	F	46.8	Very low	48	Very low	193 Å²	193	114.1 Å²	114.1	85%	0.846	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-33.2	-177.7	-62.5	-73.4	0	0	0	114.2	N211	N211-F213 PolarHBondContact O-N 2.99Å
214	T	54.8	Low	47.9	Very low	85 Å²	85	115.6 Å²	115.6	52%	0.521	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	-13.4	-176.6	62.5	0	0	0	0	113.9	N211 E216	N211-T214 WeakPolarHBondContact CB-OG1 3.47Å; N211-T214 PolarHBondContact O-N 3.01Å; T214-E216 PolarHBondContact O-N 3.43Å; T214-E216 VanDerWaalsContact O-N 3.17Å
215	G	52.1	Low	48.3	Very low	47 Å²	47	111.6 Å²	111.6	49%	0.485	60%	0.598	S	S	.	*			trans	71.9	-4.5	-176.2	0	0	0	0	0	114.9	N211	N211-G215 VanDerWaalsContact O-CA 3.31Å; N211-G215 WeakPolarHBondContact O-CA 3.31Å; N211-G215 PolarHBondContact O-N 3.01Å
216	E	50.8	Low	47.9	Very low	140 Å²	140	111 Å²	111	65%	0.654	60%	0.603	S	S	*	*			trans	-81.4	148.6	-178	-67.5	-174.9	154.9	0	0	112.5	K210 N211 T214 C218	K210-E216 CarbonylContact C-O 3.55Å; K210-E216 VanDerWaalsContact CA-O 3.27Å; K210-E216 WeakPolarHBondContact CA-O 3.27Å; N211-E216 PolarHBondContact N-O 3.47Å; T214-E216 PolarHBondContact O-N 3.43Å; T214-E216 VanDerWaalsContact O-N 3.17Å; E216-C218 PolarHBondContact O-N 2.87Å
217	N	46.1	Very low	48.3	Very low	102 Å²	102	110.6 Å²	110.6	55%	0.545	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-77.2	103	-175.5	-151.8	36.5	0	0	0	110.5	T209	T209-N217 VanDerWaalsContact CB-OD1 3.3Å; T209-N217 WeakPolarHBondContact CB-OD1 3.44Å; T209-N217 CarbonylContact O-C 3.55Å; T209-N217 PolarHBondContact OG1-OD1 2.94Å
218	C	49.7	Very low	47.7	Very low	39 Å²	39	114.5 Å²	114.5	26%	0.264	61%	0.611	S	S	.	*			trans	-94.2	106.8	174.2	-63.3	0	0	0	0	110.1	T209 E216 N220 Y221	T209-C218 VanDerWaalsContact CB-O 3.29Å; T209-C218 WeakPolarHBondContact CB-O 3.44Å; T209-C218 CarbonylContact O-C 3.6Å; T209-C218 WeakPolarHBondContact O-CA 3.48Å; T209-C218 PolarHBondContact O-N 3.33Å; E216-C218 PolarHBondContact O-N 2.87Å; C218-N220 PolarHBondContact O-N 3.24Å; C218-Y221 HydrophobicContact CB-CD2 4.38Å; C218-Y221 HydrophobicContact CB-CE1 4.49Å; C218-Y221 HydrophobicContact CB-CE2 3.57Å; C218-Y221 WeakPolarHBondContact CB-OH 3.42Å; C218-Y221 WeakPolarHBondContact O-CE2 3.41Å
219	E	56.9	Low	46.8	Very low	158 Å²	158	114.3 Å²	114.3	74%	0.738	61%	0.609	S	S	*	*	S	Bend	trans	-66.8	-22.8	-180	-70.4	176.7	164.1	0	0	113
220	N	43.8	Very low	46.5	Very low	142 Å²	142	117.6 Å²	117.6	76%	0.759	63%	0.631	S	S	*	*			trans	-128.4	103.9	-171.5	-60.5	-30.6	0	0	0	111.6	C218	C218-N220 PolarHBondContact O-N 3.24Å
221	Y	48.6	Very low	46.4	Very low	117 Å²	117	118.8 Å²	118.8	46%	0.459	64%	0.642	S	S	.	*			trans	-104.1	107.2	164.1	-72.3	-86.7	0	0	0	109.5	N211 C218 V223	N211-Y221 WeakPolarHBondContact CA-OH 3.29Å; N211-Y221 WeakPolarHBondContact CB-OH 3.3Å; N211-Y221 PolarHBondContact N-OH 2.91Å; C218-Y221 HydrophobicContact CB-CD2 4.38Å; C218-Y221 HydrophobicContact CB-CE1 4.49Å; C218-Y221 HydrophobicContact CB-CE2 3.57Å; C218-Y221 WeakPolarHBondContact CB-OH 3.42Å; C218-Y221 WeakPolarHBondContact O-CE2 3.41Å; Y221-V223 PolarHBondContact O-N 3.36Å
222	T	41.6	Very low	45.8	Very low	138 Å²	138	125.3 Å²	125.3	85%	0.847	67%	0.668	S	S	*	*			trans	-78.9	102.8	163.9	42.6	0	0	0	0	108.4	S224	T222-S224 PolarHBondContact O-N 2.79Å; T222-S224 VanDerWaalsContact O-N 3.15Å
223	V	43.6	Very low	44.5	Very low	104 Å²	104	129 Å²	129	63%	0.63	67%	0.671	S	S	*	*			trans	-68.9	109.5	171.1	178.5	0	0	0	0	107.6	Y221	Y221-V223 PolarHBondContact O-N 3.36Å
224	S	34.4	Very low	44.2	Very low	83 Å²	83	125.6 Å²	125.6	58%	0.58	67%	0.666	S	S	*	*			trans	-50.6	126.1	175.6	-70.7	0	0	0	0	110.5	T222 E226	T222-S224 PolarHBondContact O-N 2.79Å; T222-S224 VanDerWaalsContact O-N 3.15Å; S224-E226 PolarHBondContact O-N 2.62Å; S224-E226 VanDerWaalsContact O-N 3.09Å
225	P	47	Very low	43.1	Very low	103 Å²	103	130 Å²	130	67%	0.669	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-70	-5.2	-172.6	24.9	-31.6	0	0	0	114.3	L227 K228	P225-L227 PolarHBondContact O-N 3.19Å; P225-K228 PolarHBondContact O-N 2.92Å
226	E	39.3	Very low	42.7	Very low	171 Å²	171	139 Å²	139	80%	0.799	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-63.7	-26.3	179.3	-65.1	-175.4	173.6	0	0	113.3	S224 K228 S229	S224-E226 PolarHBondContact O-N 2.62Å; S224-E226 VanDerWaalsContact O-N 3.09Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-S229 PolarHBondContact O-OG 3.37Å
227	L	50.3	Low	42.1	Very low	156 Å²	156	139.3 Å²	139.3	82%	0.817	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-85.6	-0.3	175.5	-77.7	160.8	0	0	0	113.8	P225	P225-L227 PolarHBondContact O-N 3.19Å
228	K	36.7	Very low	42.3	Very low	166 Å²	166	136.9 Å²	136.9	72%	0.722	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-94.2	7.2	173.5	-74.5	-175.2	179.4	177.8	0	113.6	P225 E226 P230	P225-K228 PolarHBondContact O-N 2.92Å; E226-K228 VanDerWaalsContact C-N 3.32Å; K228-P230 WeakPolarHBondContact O-CD 3.41Å
229	S	34.4	Very low	42.3	Very low	78 Å²	78	138.3 Å²	138.3	55%	0.545	70%	0.702	S	S	.	*	S	Bend	trans	-69.5	124.4	164.2	59.1	0	0	0	0	108.1	E226 I231	E226-S229 PolarHBondContact O-OG 3.37Å; S229-I231 VanDerWaalsContact C-N 3.32Å; S229-I231 PolarHBondContact O-N 3.41Å
230	P	41.1	Very low	41.6	Very low	118 Å²	118	137.9 Å²	137.9	77%	0.766	69%	0.693	S	S	*	*			trans	-63.6	102.4	174.2	25.9	-31	0	0	0	105.7	K228 K232	K228-P230 WeakPolarHBondContact O-CD 3.41Å; P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 3.13Å
231	I	42.8	Very low	41.8	Very low	144 Å²	144	133.2 Å²	133.2	74%	0.738	67%	0.668	S	S	*	*			trans	-49.4	107.1	167.4	-67.6	168.4	0	0	0	104.1	S229 R233	S229-I231 VanDerWaalsContact C-N 3.32Å; S229-I231 PolarHBondContact O-N 3.41Å; I231-R233 PolarHBondContact O-N 3.18Å
232	K	36.6	Very low	42.4	Very low	185 Å²	185	133 Å²	133	80%	0.804	69%	0.69	S	S	*	*			trans	-43.5	123.7	171.3	-71.6	179.6	178.1	178.8	0	104.1	P230 V234	P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 3.13Å; K232-V234 PolarHBondContact O-N 3.06Å
233	R	36.9	Very low	43	Very low	240 Å²	240	134.3 Å²	134.3	91%	0.906	69%	0.691	S	S	*	*			trans	-51.6	92.7	174.3	-72.5	-179.6	-178.8	172.4	0.5	106.1	I231 Q235	I231-R233 PolarHBondContact O-N 3.18Å; R233-Q235 PolarHBondContact O-N 3.07Å
234	V	40.5	Very low	43.5	Very low	121 Å²	121	133.3 Å²	133.3	73%	0.733	69%	0.685	S	S	*	*			trans	-60.4	106.1	161.3	176.5	0	0	0	0	100.3	K232 R236	K232-V234 PolarHBondContact O-N 3.06Å; V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 2.92Å
235	Q	31.8	Very low	44.1	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	68%	0.676	S	S	*	*			trans	-52.5	106.7	170.6	-73.8	-159.8	11.8	0	0	104.3	R233 E237	R233-Q235 PolarHBondContact O-N 3.07Å; Q235-E237 VanDerWaalsContact C-N 3.3Å; Q235-E237 PolarHBondContact O-N 3.08Å
236	R	42.9	Very low	44.7	Very low	236 Å²	236	132.8 Å²	132.8	89%	0.891	67%	0.674	S	S	*	*			trans	-60.7	106.7	168.2	-94.3	-177	172.3	166.5	-2.4	103.6	V234	V234-R236 VanDerWaalsContact C-N 3.26Å; V234-R236 PolarHBondContact O-N 2.92Å
237	E	40	Very low	44.7	Very low	146 Å²	146	129.1 Å²	129.1	68%	0.682	66%	0.661	S	S	*	*			trans	-50.2	134.5	164.1	-88	-144.3	148.7	0	0	107.4	Q235 S239	Q235-E237 VanDerWaalsContact C-N 3.3Å; Q235-E237 PolarHBondContact O-N 3.08Å; E237-S239 PolarHBondContact O-N 3.12Å; E237-S239 VanDerWaalsContact O-N 3.1Å
238	P	49.1	Very low	44.7	Very low	52 Å²	52	123.6 Å²	123.6	34%	0.338	63%	0.634	S	S	.	*			trans	-54.3	122.8	-179.9	21.8	-31.8	0	0	0	108.5	R240 N247	P238-R240 PolarHBondContact O-N 3.13Å; P238-N247 HydrophobicContact CB-CB 4.19Å; P238-N247 HydrophobicContact CG-CB 3.88Å
239	S	50.8	Low	45.3	Very low	68 Å²	68	121.8 Å²	121.8	48%	0.476	64%	0.637	S	S	.	*			trans	-51.6	104.9	174.8	39.3	0	0	0	0	109.3	E237 Y251	E237-S239 PolarHBondContact O-N 3.12Å; E237-S239 VanDerWaalsContact O-N 3.1Å; S239-Y251 VanDerWaalsContact OG-CE2 3.29Å; S239-Y251 WeakPolarHBondContact OG-CE2 3.37Å
240	R	41.8	Very low	46.1	Very low	149 Å²	149	123.1 Å²	123.1	56%	0.562	64%	0.642	S	S	*	*	B	Isolated β-bridge	trans	-62.9	144.1	177.1	-68	179.7	-176.7	-169.6	4.5	109.9	P238 A242 G245 E246	P238-R240 PolarHBondContact O-N 3.13Å; R240-A242 PolarHBondContact O-N 2.95Å; R240-G245 VanDerWaalsContact CD-O 3.32Å; R240-G245 WeakPolarHBondContact CD-O 3.19Å; R240-G245 WeakPolarHBondContact CG-O 3.06Å; R240-E246 WeakPolarHBondContact CA-O 3.37Å
241	N	48.5	Very low	46	Very low	45 Å²	45	124.3 Å²	124.3	24%	0.241	63%	0.632	C	S	.	*			trans	-60.8	126.1	169.1	-73.9	-30.9	0	0	0	109.4	I243 T244 G245 E246	N241-I243 PolarHBondContact O-N 3.38Å; N241-T244 WeakPolarHBondContact CB-OG1 3.16Å; N241-T244 PolarHBondContact O-N 2.97Å; N241-G245 WeakPolarHBondContact O-CA 3.14Å; N241-G245 PolarHBondContact O-N 2.55Å; N241-E246 PolarHBondContact N-O 3.21Å
242	A	59.9	Low	46.1	Very low	111 Å²	111	124.4 Å²	124.4	92%	0.917	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	-177.8	0	0	0	0	0	114	R240	R240-A242 PolarHBondContact O-N 2.95Å
243	I	53.9	Low	46.2	Very low	167 Å²	167	124.6 Å²	124.6	86%	0.856	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-40.1	-176.2	-60.5	172.5	0	0	0	111.8	N241	N241-I243 PolarHBondContact O-N 3.38Å
244	T	54.6	Low	46.3	Very low	83 Å²	83	120.2 Å²	120.2	51%	0.509	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.9	-9	-175.3	61.3	0	0	0	0	114.2	N241 E246	N241-T244 WeakPolarHBondContact CB-OG1 3.16Å; N241-T244 PolarHBondContact O-N 2.97Å; T244-E246 PolarHBondContact O-N 2.76Å
245	G	47.5	Very low	46.3	Very low	38 Å²	38	117.1 Å²	117.1	39%	0.392	61%	0.61	S	S	.	*			trans	67.7	-0.7	-177.6	0	0	0	0	0	114.8	R240 N241	R240-G245 VanDerWaalsContact CD-O 3.32Å; R240-G245 WeakPolarHBondContact CD-O 3.19Å; R240-G245 WeakPolarHBondContact CG-O 3.06Å; N241-G245 WeakPolarHBondContact O-CA 3.14Å; N241-G245 PolarHBondContact O-N 2.55Å
246	E	58.5	Low	46.5	Very low	136 Å²	136	118.1 Å²	118.1	64%	0.636	62%	0.615	S	S	*	*			trans	-78.7	144.1	-178.2	-67.2	-177.7	160.1	0	0	111.9	R240 N241 T244 C248	R240-E246 WeakPolarHBondContact CA-O 3.37Å; N241-E246 PolarHBondContact N-O 3.21Å; T244-E246 PolarHBondContact O-N 2.76Å; E246-C248 PolarHBondContact O-N 3.04Å; E246-C248 VanDerWaalsContact O-N 3.16Å
247	N	40.8	Very low	46.4	Very low	95 Å²	95	111.4 Å²	111.4	51%	0.508	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-67.6	106.9	-179.8	-71.7	-22.3	0	0	0	110.3	P238 T249	P238-N247 HydrophobicContact CB-CB 4.19Å; P238-N247 HydrophobicContact CG-CB 3.88Å; N247-T249 PolarHBondContact O-N 3.09Å
248	C	50.3	Low	46.3	Very low	40 Å²	40	114.4 Å²	114.4	27%	0.27	61%	0.61	S	S	.	*			trans	-90.7	105.6	176.1	-134.7	0	0	0	0	109.2	E246 T250 Y251	E246-C248 PolarHBondContact O-N 3.04Å; E246-C248 VanDerWaalsContact O-N 3.16Å; C248-T250 PolarHBondContact O-N 3.09Å; C248-Y251 HydrophobicContact CB-CE2 4.28Å
249	T	48.2	Very low	45.8	Very low	127 Å²	127	118.8 Å²	118.8	78%	0.779	63%	0.63	S	S	*	*	S	Bend	trans	-76.5	-10.9	-180	51.9	0	0	0	0	113.3	N247	N247-T249 PolarHBondContact O-N 3.09Å
250	T	50.6	Low	45.1	Very low	106 Å²	106	120.3 Å²	120.3	65%	0.65	64%	0.64	S	S	*	*			trans	-141.2	118.4	177.3	51.7	0	0	0	0	109.4	C248	C248-T250 PolarHBondContact O-N 3.09Å
251	Y	40.5	Very low	44.7	Very low	143 Å²	143	123.1 Å²	123.1	56%	0.561	66%	0.656	S	S	*	*			trans	-90.3	111.2	156	-83.4	-92.5	0	0	0	105.5	S239 C248 Y253	S239-Y251 VanDerWaalsContact OG-CE2 3.29Å; S239-Y251 WeakPolarHBondContact OG-CE2 3.37Å; C248-Y251 HydrophobicContact CB-CE2 4.28Å; Y251-Y253 PolarHBondContact O-N 2.86Å
252	D	44.3	Very low	44.1	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	69%	0.685	S	S	*	*			trans	-69.8	82.3	166.3	-150	3.4	0	0	0	106.4	N254	D252-N254 VanDerWaalsContact C-N 3.26Å; D252-N254 PolarHBondContact O-N 3.22Å
253	Y	39.2	Very low	43	Very low	189 Å²	189	136.2 Å²	136.2	74%	0.741	68%	0.684	S	S	*	*			trans	-66	98.4	173.1	-172.7	-109.4	0	0	0	105.1	Y251 S255	Y251-Y253 PolarHBondContact O-N 2.86Å; Y253-S255 VanDerWaalsContact CD1-CB 3.48Å; Y253-S255 WeakPolarHBondContact CD1-OG 3.18Å; Y253-S255 PolarHBondContact O-N 2.92Å; Y253-S255 PolarHBondContact O-OG 3.32Å
254	N	37.9	Very low	42.5	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	68%	0.678	S	S	*	*			trans	-58.9	62.3	166.1	-79.8	-31.8	0	0	0	109.6	D252	D252-N254 VanDerWaalsContact C-N 3.26Å; D252-N254 PolarHBondContact O-N 3.22Å
255	S	40.5	Very low	41.9	Very low	57 Å²	57	134.6 Å²	134.6	40%	0.399	68%	0.684	S	S	.	*			trans	-84.4	116.9	153.4	55.8	0	0	0	0	105.2	Y253 V257	Y253-S255 VanDerWaalsContact CD1-CB 3.48Å; Y253-S255 WeakPolarHBondContact CD1-OG 3.18Å; Y253-S255 PolarHBondContact O-N 2.92Å; Y253-S255 PolarHBondContact O-OG 3.32Å; S255-V257 PolarHBondContact O-N 3.08Å; S255-V257 WeakPolarHBondContact OG-CG2 3.32Å
256	E	36.9	Very low	42.3	Very low	199 Å²	199	140.4 Å²	140.4	93%	0.93	70%	0.704	S	S	*	*			trans	-59.8	63.6	165.7	-59.1	173.3	172.6	0	0	109.4	K258	E256-K258 PolarHBondContact O-N 3.29Å
257	V	40.8	Very low	41.5	Very low	95 Å²	95	141.1 Å²	141.1	58%	0.576	71%	0.705	S	S	*	*			trans	-88.5	107.9	172.1	179.5	0	0	0	0	105.6	S255 I259	S255-V257 PolarHBondContact O-N 3.08Å; S255-V257 WeakPolarHBondContact OG-CG2 3.32Å; V257-I259 HydrophobicContact CG1-CG1 4.02Å; V257-I259 PolarHBondContact O-N 2.6Å
258	K	36.9	Very low	42.2	Very low	208 Å²	208	138.7 Å²	138.7	90%	0.904	70%	0.696	S	S	*	*			trans	-53.5	87.7	166.1	-64.1	-179.1	177.8	-176.8	0	109.4	E256 S260	E256-K258 PolarHBondContact O-N 3.29Å; K258-S260 PolarHBondContact O-N 2.89Å
259	I	39.7	Very low	42.4	Very low	145 Å²	145	139.9 Å²	139.9	74%	0.744	70%	0.704	S	S	*	*			trans	-86	110.4	170.6	-55.8	163.5	0	0	0	106.5	V257 K261	V257-I259 HydrophobicContact CG1-CG1 4.02Å; V257-I259 PolarHBondContact O-N 2.6Å; I259-K261 PolarHBondContact O-N 3.04Å
260	S	35.6	Very low	42.4	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	68%	0.676	S	S	*	*			trans	-46.4	130.4	171.9	61.2	0	0	0	0	110.5	K258 K262	K258-S260 PolarHBondContact O-N 2.89Å; S260-K262 PolarHBondContact O-N 2.89Å
261	K	34.6	Very low	43.1	Very low	207 Å²	207	135.2 Å²	135.2	90%	0.9	68%	0.676	S	S	*	*			trans	-38.5	100.1	172	-59.9	172	-179.1	177.7	0	112.1	I259	I259-K261 PolarHBondContact O-N 3.04Å
262	K	35.7	Very low	44.1	Very low	193 Å²	193	136.3 Å²	136.3	84%	0.839	69%	0.691	S	S	*	*			trans	-118	93.9	138.9	-77.3	-164.5	176.7	-174.2	0	105.8	S260 T264	S260-K262 PolarHBondContact O-N 2.89Å; K262-T264 PolarHBondContact O-N 3.14Å
263	R	36.6	Very low	44.9	Very low	238 Å²	238	134.1 Å²	134.1	90%	0.898	68%	0.679	S	S	*	*			trans	-61.2	93.1	179.4	-177	-175.9	-177.1	-170.9	0.4	108.2
264	T	43.2	Very low	45.8	Very low	119 Å²	119	127.6 Å²	127.6	73%	0.73	67%	0.669	S	S	*	*			trans	-76.3	129.6	155.6	43.1	0	0	0	0	106.8	K262 I266	K262-T264 PolarHBondContact O-N 3.14Å; T264-I266 PolarHBondContact O-N 3.38Å
265	P	42.3	Very low	47.3	Very low	97 Å²	97	126.5 Å²	126.5	63%	0.63	66%	0.659	S	S	*	*			trans	-60.6	129.4	-178.7	22.8	-30.5	0	0	0	109.4	K267	P265-K267 PolarHBondContact O-N 3.08Å
266	I	54.2	Low	48.3	Very low	160 Å²	160	129.2 Å²	129.2	82%	0.821	67%	0.669	S	S	*	*			trans	-57.8	108.6	173.6	-63.6	160.6	0	0	0	106.1	T264 S268	T264-I266 PolarHBondContact O-N 3.38Å; I266-S268 PolarHBondContact O-N 3.3Å
267	K	41.9	Very low	49.4	Very low	152 Å²	152	122 Å²	122	66%	0.661	64%	0.639	S	S	*	*			trans	-66.1	102.2	169.7	-65.9	-177.2	179.2	-176.4	0	106.3	P265 S269	P265-K267 PolarHBondContact O-N 3.08Å; K267-S269 PolarHBondContact O-N 3.11Å
268	S	55.8	Low	50.2	Low	44 Å²	44	124.1 Å²	124.1	31%	0.308	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-69	123.6	170.2	47.1	0	0	0	0	108.5	I266 V277	I266-S268 PolarHBondContact O-N 3.3Å; S268-V277 PolarHBondContact O-N 3.32Å; S268-V277 PolarHBondContact OG-O 2.71Å; S268-V277 VanDerWaalsContact OG-O 3.07Å
269	S	54.7	Low	50.9	Low	64 Å²	64	118.2 Å²	118.2	45%	0.448	64%	0.637	S	S	.	*	B	Isolated β-bridge	trans	-81.8	145.7	170	51.7	0	0	0	0	110	K267 E275 F280	K267-S269 PolarHBondContact O-N 3.11Å; S269-E275 WeakPolarHBondContact CA-O 3.39Å; S269-F280 WeakPolarHBondContact O-CE1 2.91Å
270	N	49.5	Very low	51.9	Low	36 Å²	36	115.3 Å²	115.3	19%	0.193	62%	0.619	C	S	.	*	P	Polyproline II helix	trans	-67.4	123.1	173.8	177.1	-10.1	0	0	0	109.4	L272 N273 G274 E275 V277	N270-L272 PolarHBondContact O-N 3.45Å; N270-L272 VanDerWaalsContact O-N 3.14Å; N270-L272 PolarHBondContact OD1-N 2.78Å; N270-L272 VanDerWaalsContact OD1-N 3.11Å; N270-N273 WeakPolarHBondContact CB-OD1 3.4Å; N270-N273 PolarHBondContact ND2-OD1 3.26Å; N270-N273 PolarHBondContact O-N 3.08Å; N270-G274 WeakPolarHBondContact O-CA 3.39Å; N270-G274 PolarHBondContact O-N 3.42Å; N270-E275 PolarHBondContact N-O 3.45Å; N270-V277 HydrophobicContact CB-CG2 3.71Å
271	P	63.6	Low	52.8	Low	99 Å²	99	119.3 Å²	119.3	64%	0.643	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-12.8	-173.6	26.7	-35.5	0	0	0	114.3	F280	P271-F280 HydrophobicContact CG-CE2 4Å; P271-F280 HydrophobicContact CG-CZ 3.95Å
272	L	61.3	Low	53.9	Low	166 Å²	166	114.8 Å²	114.8	87%	0.869	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-28.9	-178.4	-66.9	172.6	0	0	0	113.6	N270	N270-L272 PolarHBondContact O-N 3.45Å; N270-L272 VanDerWaalsContact O-N 3.14Å; N270-L272 PolarHBondContact OD1-N 2.78Å; N270-L272 VanDerWaalsContact OD1-N 3.11Å
273	N	61.8	Low	54.6	Low	100 Å²	100	110 Å²	110	54%	0.535	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.8	0.9	-174.4	58.9	6.6	0	0	0	114.3	N270 E275	N270-N273 WeakPolarHBondContact CB-OD1 3.4Å; N270-N273 PolarHBondContact ND2-OD1 3.26Å; N270-N273 PolarHBondContact O-N 3.08Å; N273-E275 PolarHBondContact O-N 2.76Å; N273-E275 VanDerWaalsContact O-N 3.12Å
274	G	59	Low	54.9	Low	52 Å²	52	107.6 Å²	107.6	54%	0.536	61%	0.608	S	S	.	*			trans	69.9	3.9	175.6	0	0	0	0	0	114.8	N270	N270-G274 WeakPolarHBondContact O-CA 3.39Å; N270-G274 PolarHBondContact O-N 3.42Å
275	E	69.2	Low	54.9	Low	125 Å²	125	108.6 Å²	108.6	58%	0.584	60%	0.604	S	S	*	*			trans	-74	137.1	-179.4	-166.3	176	176.8	0	0	110.8	S269 N270 N273 V277	S269-E275 WeakPolarHBondContact CA-O 3.39Å; N270-E275 PolarHBondContact N-O 3.45Å; N273-E275 PolarHBondContact O-N 2.76Å; N273-E275 VanDerWaalsContact O-N 3.12Å; E275-V277 PolarHBondContact O-N 2.88Å
276	N	60.1	Low	54.9	Low	114 Å²	114	112.7 Å²	112.7	61%	0.61	62%	0.615	S	S	*	*	B	Isolated β-bridge	trans	-74.5	103.8	-178.7	-72.1	-49.1	0	0	0	110.3
277	V	60.9	Low	54.8	Low	47 Å²	47	114 Å²	114	29%	0.285	61%	0.61	S	S	.	*			trans	-119.3	136	176.4	-86.6	0	0	0	0	111.5	S268 N270 E275 A279 F280	S268-V277 PolarHBondContact O-N 3.32Å; S268-V277 PolarHBondContact OG-O 2.71Å; S268-V277 VanDerWaalsContact OG-O 3.07Å; N270-V277 HydrophobicContact CB-CG2 3.71Å; E275-V277 PolarHBondContact O-N 2.88Å; V277-A279 PolarHBondContact O-N 3.1Å; V277-F280 HydrophobicContact CG2-CB 4.36Å; V277-F280 HydrophobicContact CG2-CD1 4.21Å
278	N	58.1	Low	54.9	Low	141 Å²	141	112.2 Å²	112.2	75%	0.754	61%	0.614	S	S	*	*	S	Bend	trans	-65.2	-24.3	-173.2	-129	6.4	0	0	0	113.1
279	A	51.3	Low	54.6	Low	84 Å²	84	121.7 Å²	121.7	69%	0.694	64%	0.643	S	S	*	*			trans	-161.9	142.7	170.3	0	0	0	0	0	108.6	V277	V277-A279 PolarHBondContact O-N 3.1Å
280	F	59.8	Low	54.2	Low	83 Å²	83	124.2 Å²	124.2	36%	0.364	66%	0.656	S	S	.	*			trans	-129.2	130.7	166.5	63.1	-88.7	0	0	0	109.2	S269 P271 V277 V282	S269-F280 WeakPolarHBondContact O-CE1 2.91Å; P271-F280 HydrophobicContact CG-CE2 4Å; P271-F280 HydrophobicContact CG-CZ 3.95Å; V277-F280 HydrophobicContact CG2-CB 4.36Å; V277-F280 HydrophobicContact CG2-CD1 4.21Å; F280-V282 HydrophobicContact CD2-CG2 3.72Å; F280-V282 HydrophobicContact CE2-CG2 3.54Å
281	M	55.4	Low	54.2	Low	184 Å²	184	127.2 Å²	127.2	91%	0.906	69%	0.685	S	S	*	*			trans	-85.4	117.5	174.4	-95.6	172.7	53.1	0	0	109	S283	M281-S283 PolarHBondContact O-N 2.81Å
282	V	57.2	Low	53.3	Low	112 Å²	112	131 Å²	131	68%	0.679	69%	0.692	S	S	*	*			trans	-86.3	91.5	168.2	-175.8	0	0	0	0	107.1	F280 Q284	F280-V282 HydrophobicContact CD2-CG2 3.72Å; F280-V282 HydrophobicContact CE2-CG2 3.54Å; V282-Q284 PolarHBondContact O-N 3.37Å
283	S	49.9	Very low	52.7	Low	92 Å²	92	128.2 Å²	128.2	64%	0.643	68%	0.684	S	S	*	*			trans	-65.6	122	166.5	51.8	0	0	0	0	108	M281 E285	M281-S283 PolarHBondContact O-N 2.81Å; S283-E285 PolarHBondContact O-N 2.76Å
284	Q	42.9	Very low	52.5	Low	189 Å²	189	132 Å²	132	88%	0.883	69%	0.692	S	S	*	*			trans	-70.5	81.4	169.6	-65.1	-149	20.4	0	0	108.7	V282 E286	V282-Q284 PolarHBondContact O-N 3.37Å; Q284-E286 VanDerWaalsContact C-N 3.34Å; Q284-E286 PolarHBondContact O-N 3.26Å; Q284-E286 VanDerWaalsContact O-N 3.14Å
285	E	45	Very low	52.1	Low	139 Å²	139	132.8 Å²	132.8	65%	0.65	69%	0.686	S	S	*	*			trans	-76.3	97.1	162.1	-160.2	179.9	179.6	0	0	106.2	S283 R287	S283-E285 PolarHBondContact O-N 2.76Å; E285-R287 PolarHBondContact O-N 3.12Å
286	E	41.9	Very low	51.2	Low	183 Å²	183	132.4 Å²	132.4	86%	0.855	68%	0.68	S	S	*	*			trans	-64.9	78	174.3	-171.7	179.3	-179.7	0	0	108.8	Q284 P288	Q284-E286 VanDerWaalsContact C-N 3.34Å; Q284-E286 PolarHBondContact O-N 3.26Å; Q284-E286 VanDerWaalsContact O-N 3.14Å; E286-P288 WeakPolarHBondContact O-CD 3.46Å
287	R	51.8	Low	50.8	Low	189 Å²	189	136 Å²	136	71%	0.713	69%	0.685	S	S	*	*			trans	-70.9	122.3	170.3	-89.9	-174.7	178.3	151.4	5.1	108.2	E285 R289	E285-R287 PolarHBondContact O-N 3.12Å; R287-R289 PolarHBondContact O-N 2.97Å; R287-R289 VanDerWaalsContact O-N 3.13Å
288	P	44.8	Very low	50.2	Low	114 Å²	114	137.3 Å²	137.3	74%	0.74	69%	0.69	S	S	*	*			trans	-58.4	122.2	179.3	21.3	-30.5	0	0	0	109	E286 T290	E286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-T290 PolarHBondContact O-N 3.21Å
289	R	49.6	Very low	50.3	Low	243 Å²	243	137.4 Å²	137.4	92%	0.917	70%	0.696	S	S	*	*			trans	-62.1	112.7	177	-69.6	-177.6	178.1	-155	-0.2	108	R287 A291	R287-R289 PolarHBondContact O-N 2.97Å; R287-R289 VanDerWaalsContact O-N 3.13Å; R289-A291 PolarHBondContact O-N 3.38Å; R289-A291 VanDerWaalsContact O-N 3.12Å
290	T	45.8	Very low	50.5	Low	117 Å²	117	139.7 Å²	139.7	72%	0.718	70%	0.701	S	S	*	*			trans	-65.1	114.5	166.6	47.1	0	0	0	0	107.5	P288 K292	P288-T290 PolarHBondContact O-N 3.21Å; T290-K292 VanDerWaalsContact C-N 3.26Å; T290-K292 PolarHBondContact O-N 2.57Å
291	A	48.6	Very low	50.4	Low	98 Å²	98	139.9 Å²	139.9	81%	0.81	71%	0.709	S	S	*	*			trans	-65.4	86.4	177.2	0	0	0	0	0	108.8	R289 P293	R289-A291 PolarHBondContact O-N 3.38Å; R289-A291 VanDerWaalsContact O-N 3.12Å; A291-P293 WeakPolarHBondContact O-CD 3.39Å
292	K	44.4	Very low	50.3	Low	179 Å²	179	133.8 Å²	133.8	78%	0.778	69%	0.694	S	S	*	*			trans	-65	122.4	170.1	-69.8	-174.3	179.4	-178.3	0	107.1	T290 Y294	T290-K292 VanDerWaalsContact C-N 3.26Å; T290-K292 PolarHBondContact O-N 2.57Å; K292-Y294 PolarHBondContact O-N 3.43Å
293	P	48.7	Very low	50.4	Low	108 Å²	108	134.8 Å²	134.8	70%	0.701	69%	0.691	S	S	*	*			trans	-60.2	133.9	-178.6	23.8	-31.8	0	0	0	109	A291 V295	A291-P293 WeakPolarHBondContact O-CD 3.39Å; P293-V295 WeakPolarHBondContact O-CG2 3.4Å; P293-V295 PolarHBondContact O-N 3.48Å
294	Y	57.4	Low	50.4	Low	180 Å²	180	134.8 Å²	134.8	71%	0.706	68%	0.684	S	S	*	*			trans	-65.9	108.4	179.3	-170.8	-87.2	0	0	0	108.9	K292 Y296	K292-Y294 PolarHBondContact O-N 3.43Å; Y294-Y296 AromaticContact CD1-CD1 3.81Å; Y294-Y296 HydrophobicContact CD1-CD1 3.81Å; Y294-Y296 AromaticContact CD1-CD2 3.71Å; Y294-Y296 HydrophobicContact CD1-CD2 3.71Å; Y294-Y296 AromaticContact CD1-CE1 3.56Å; Y294-Y296 HydrophobicContact CD1-CE1 3.56Å; Y294-Y296 AromaticContact CD1-CE2 3.46Å; Y294-Y296 HydrophobicContact CD1-CE2 3.46Å; Y294-Y296 VanDerWaalsContact CD1-CE2 3.46Å; Y294-Y296 AromaticContact CD1-CG 3.85Å; Y294-Y296 HydrophobicContact CD1-CG 3.85Å; Y294-Y296 AromaticContact CD1-CZ 3.36Å; Y294-Y296 AromaticContact CE1-CD1 3.43Å; Y294-Y296 HydrophobicContact CE1-CD1 3.43Å; Y294-Y296 VanDerWaalsContact CE1-CD1 3.43Å; Y294-Y296 HydrophobicContact CE1-CD2 4.21Å; Y294-Y296 AromaticContact CE1-CE1 3.25Å; Y294-Y296 HydrophobicContact CE1-CE1 3.25Å; Y294-Y296 HydrophobicContact CE1-CE2 4.08Å; Y294-Y296 AromaticContact CE1-CG 3.89Å; Y294-Y296 HydrophobicContact CE1-CG 3.89Å; Y294-Y296 AromaticContact CE1-CZ 3.59Å; Y294-Y296 HydrophobicContact CG-CE2 4.46Å; Y294-Y296 PolarHBondContact O-N 2.95Å
295	V	50.5	Low	50.8	Low	68 Å²	68	129.5 Å²	129.5	41%	0.412	66%	0.661	S	S	.	*			trans	-87.7	101.2	-178.1	-179.4	0	0	0	0	108.2	P293 R297 N304	P293-V295 WeakPolarHBondContact O-CG2 3.4Å; P293-V295 PolarHBondContact O-N 3.48Å; V295-R297 HydrophobicContact CG1-CG 4.39Å; V295-R297 PolarHBondContact O-N 2.88Å; V295-N304 WeakPolarHBondContact CG1-ND2 3.38Å; V295-N304 WeakPolarHBondContact CG1-OD1 3.13Å
296	Y	50.8	Low	51.4	Low	117 Å²	117	131.4 Å²	131.4	46%	0.459	67%	0.67	S	S	.	*			trans	-71	110.2	177.5	-67.5	-91.1	0	0	0	109.6	Y294 L305	Y294-Y296 AromaticContact CD1-CD1 3.81Å; Y294-Y296 HydrophobicContact CD1-CD1 3.81Å; Y294-Y296 AromaticContact CD1-CD2 3.71Å; Y294-Y296 HydrophobicContact CD1-CD2 3.71Å; Y294-Y296 AromaticContact CD1-CE1 3.56Å; Y294-Y296 HydrophobicContact CD1-CE1 3.56Å; Y294-Y296 AromaticContact CD1-CE2 3.46Å; Y294-Y296 HydrophobicContact CD1-CE2 3.46Å; Y294-Y296 VanDerWaalsContact CD1-CE2 3.46Å; Y294-Y296 AromaticContact CD1-CG 3.85Å; Y294-Y296 HydrophobicContact CD1-CG 3.85Å; Y294-Y296 AromaticContact CD1-CZ 3.36Å; Y294-Y296 AromaticContact CE1-CD1 3.43Å; Y294-Y296 HydrophobicContact CE1-CD1 3.43Å; Y294-Y296 VanDerWaalsContact CE1-CD1 3.43Å; Y294-Y296 HydrophobicContact CE1-CD2 4.21Å; Y294-Y296 AromaticContact CE1-CE1 3.25Å; Y294-Y296 HydrophobicContact CE1-CE1 3.25Å; Y294-Y296 HydrophobicContact CE1-CE2 4.08Å; Y294-Y296 AromaticContact CE1-CG 3.89Å; Y294-Y296 HydrophobicContact CE1-CG 3.89Å; Y294-Y296 AromaticContact CE1-CZ 3.59Å; Y294-Y296 HydrophobicContact CG-CE2 4.46Å; Y294-Y296 PolarHBondContact O-N 2.95Å; Y296-L305 PolarHBondContact O-N 3.01Å
297	R	51.3	Low	51.8	Low	190 Å²	190	126.8 Å²	126.8	72%	0.717	66%	0.658	S	S	*	*	B	Isolated β-bridge	trans	-98.9	133.2	174.1	-54.2	-172.9	-171.3	-170.7	1	109.2	V295 T299	V295-R297 HydrophobicContact CG1-CG 4.39Å; V295-R297 PolarHBondContact O-N 2.88Å; R297-T299 PolarHBondContact O-N 3.24Å
298	N	49.3	Very low	51.7	Low	73 Å²	73	126 Å²	126	39%	0.39	66%	0.656	S	S	.	*			trans	-67.1	122.4	170	-123.4	-9.6	0	0	0	108.8	V300 G302 E303 L305	N298-V300 PolarHBondContact O-N 3.26Å; N298-G302 WeakPolarHBondContact O-CA 3.44Å; N298-G302 PolarHBondContact O-N 3.1Å; N298-E303 PolarHBondContact N-O 3.38Å; N298-L305 HydrophobicContact CB-CD1 4.43Å; N298-L305 WeakPolarHBondContact ND2-CD1 3.24Å
299	T	60.6	Low	51.7	Low	143 Å²	143	129 Å²	129	88%	0.877	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-18.9	-175.7	51.3	0	0	0	0	113.7	R297	R297-T299 PolarHBondContact O-N 3.24Å
300	V	54.4	Low	51.9	Low	133 Å²	133	123.7 Å²	123.7	81%	0.806	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-38.2	-176.7	-176.1	0	0	0	0	112.2	N298	N298-V300 PolarHBondContact O-N 3.26Å
301	T	58.7	Low	51.9	Low	87 Å²	87	122.8 Å²	122.8	53%	0.534	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.6	-7.8	-176.3	60.4	0	0	0	0	114.4	E303	T301-E303 PolarHBondContact O-N 2.85Å
302	G	53.7	Low	51.7	Low	56 Å²	56	123 Å²	123	58%	0.577	63%	0.634	S	S	*	*			trans	69.5	-6	-179.9	0	0	0	0	0	115.2	N298	N298-G302 WeakPolarHBondContact O-CA 3.44Å; N298-G302 PolarHBondContact O-N 3.1Å
303	E	58.8	Low	52.3	Low	132 Å²	132	120.9 Å²	120.9	62%	0.617	63%	0.629	S	S	*	*			trans	-70.9	143.4	178.5	-73.5	-174.4	154	0	0	111.9	N298 T301	N298-E303 PolarHBondContact N-O 3.38Å; T301-E303 PolarHBondContact O-N 2.85Å
304	N	49	Very low	51.9	Low	93 Å²	93	123.5 Å²	123.5	50%	0.497	63%	0.632	S	S	.	*	B	Isolated β-bridge	trans	-87	108.2	-175.8	-166.6	-2.8	0	0	0	109	V295	V295-N304 WeakPolarHBondContact CG1-ND2 3.38Å; V295-N304 WeakPolarHBondContact CG1-OD1 3.13Å
305	L	52.4	Low	51.6	Low	78 Å²	78	124.3 Å²	124.3	41%	0.408	63%	0.634	S	S	.	*			trans	-102.5	121.6	-177.4	-70.9	175.4	0	0	0	110	Y296 N298 S307	Y296-L305 PolarHBondContact O-N 3.01Å; N298-L305 HydrophobicContact CB-CD1 4.43Å; N298-L305 WeakPolarHBondContact ND2-CD1 3.24Å; L305-S307 PolarHBondContact O-N 3.29Å; L305-S307 VanDerWaalsContact O-N 3.13Å
306	Q	56.8	Low	51.2	Low	179 Å²	179	127.9 Å²	127.9	84%	0.836	65%	0.651	S	S	*	*	S	Bend	trans	-61.1	-23.6	-176.9	-132.1	81.7	6	0	0	113.4
307	S	50.6	Low	51.2	Low	86 Å²	86	127.8 Å²	127.8	60%	0.601	66%	0.662	S	S	*	*			trans	-171.7	149.9	173.1	50.7	0	0	0	0	110.8	L305 K309	L305-S307 PolarHBondContact O-N 3.29Å; L305-S307 VanDerWaalsContact O-N 3.13Å; S307-K309 PolarHBondContact O-N 3.22Å
308	Y	49.1	Very low	50.7	Low	171 Å²	171	124 Å²	124	67%	0.671	66%	0.66	S	S	*	*			trans	-79.7	95.7	172.2	59	-83.7	0	0	0	109.1	I310	Y308-I310 HydrophobicContact CD2-CD1 3.79Å; Y308-I310 HydrophobicContact CD2-CG1 3.98Å; Y308-I310 HydrophobicContact CE2-CD1 4.22Å; Y308-I310 PolarHBondContact O-N 3.44Å
309	K	45.4	Very low	50.4	Low	178 Å²	178	125.8 Å²	125.8	77%	0.774	68%	0.676	S	S	*	*			trans	-81.8	95.4	160.2	-168.2	176.7	-178.2	-179.6	0	106.8	S307 T311	S307-K309 PolarHBondContact O-N 3.22Å; K309-T311 VanDerWaalsContact C-N 3.28Å; K309-T311 HydrophobicContact CG-CG2 4.43Å; K309-T311 PolarHBondContact O-N 2.83Å
310	I	53.1	Low	49.5	Very low	132 Å²	132	129.7 Å²	129.7	68%	0.677	67%	0.674	S	S	*	*			trans	-69	93.4	170	-62.6	160.4	0	0	0	105.9	Y308 P312	Y308-I310 HydrophobicContact CD2-CD1 3.79Å; Y308-I310 HydrophobicContact CD2-CG1 3.98Å; Y308-I310 HydrophobicContact CE2-CD1 4.22Å; Y308-I310 PolarHBondContact O-N 3.44Å; I310-P312 WeakPolarHBondContact O-CD 3.37Å
311	T	46.9	Very low	49	Very low	98 Å²	98	129.3 Å²	129.3	60%	0.601	67%	0.672	S	S	*	*			trans	-75.7	108	163	37.5	0	0	0	0	106.9	K309 I313	K309-T311 VanDerWaalsContact C-N 3.28Å; K309-T311 HydrophobicContact CG-CG2 4.43Å; K309-T311 PolarHBondContact O-N 2.83Å; T311-I313 PolarHBondContact O-N 3.01Å
312	P	43.1	Very low	48.4	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	68%	0.676	S	S	*	*			trans	-59.8	117.5	172.8	25.7	-31.7	0	0	0	107.1	I310 E314	I310-P312 WeakPolarHBondContact O-CD 3.37Å; P312-E314 VanDerWaalsContact C-N 3.27Å; P312-E314 PolarHBondContact O-N 3.08Å
313	I	57.3	Low	48.1	Very low	134 Å²	134	136.1 Å²	136.1	69%	0.687	69%	0.687	S	S	*	*			trans	-69.6	99.5	166.9	-59.9	172.5	0	0	0	104.1	T311 R315	T311-I313 PolarHBondContact O-N 3.01Å; I313-R315 HydrophobicContact CG2-CG 3.85Å; I313-R315 PolarHBondContact O-N 3.28Å
314	E	41.7	Very low	47.5	Very low	164 Å²	164	135 Å²	135	77%	0.766	69%	0.685	S	S	*	*			trans	-60.4	83.4	162.5	-68.8	-174.7	180	0	0	106.7	P312 N316	P312-E314 VanDerWaalsContact C-N 3.27Å; P312-E314 PolarHBondContact O-N 3.08Å; E314-N316 VanDerWaalsContact C-N 3.25Å; E314-N316 PolarHBondContact O-N 2.79Å
315	R	49.9	Very low	47.4	Very low	197 Å²	197	142.1 Å²	142.1	74%	0.743	71%	0.705	S	S	*	*			trans	-64.3	102.4	164.3	-70.8	-172.2	158.5	126.7	-1.7	103.8	I313 V317	I313-R315 HydrophobicContact CG2-CG 3.85Å; I313-R315 PolarHBondContact O-N 3.28Å; R315-V317 HydrophobicContact CB-CG2 3.79Å; R315-V317 PolarHBondContact O-N 3.17Å
316	N	42.4	Very low	46.9	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	71%	0.706	S	S	*	*			trans	-57.9	74.9	158.8	-72.6	-34.1	0	0	0	107.2	E314 T318	E314-N316 VanDerWaalsContact C-N 3.25Å; E314-N316 PolarHBondContact O-N 2.79Å; N316-T318 PolarHBondContact O-N 2.85Å
317	V	51.7	Low	46.4	Very low	114 Å²	114	138.1 Å²	138.1	69%	0.691	69%	0.686	S	S	*	*			trans	-77.4	77.9	166.7	-174.4	0	0	0	0	103.8	R315 P319	R315-V317 HydrophobicContact CB-CG2 3.79Å; R315-V317 PolarHBondContact O-N 3.17Å; V317-P319 VanDerWaalsContact O-CD 3.23Å; V317-P319 WeakPolarHBondContact O-CD 3.49Å; V317-P319 VanDerWaalsContact O-N 3.13Å
318	T	39.3	Very low	46.4	Very low	111 Å²	111	139.9 Å²	139.9	68%	0.681	70%	0.696	S	S	*	*			trans	-56.5	115.9	154.9	37.8	0	0	0	0	105.2	N316 R320	N316-T318 PolarHBondContact O-N 2.85Å; T318-R320 PolarHBondContact O-N 3.25Å
319	P	43.9	Very low	46.7	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	71%	0.706	S	S	*	*			trans	-62.9	104	-179.9	24.7	-31.4	0	0	0	106.6	V317 V321	V317-P319 VanDerWaalsContact O-CD 3.23Å; V317-P319 WeakPolarHBondContact O-CD 3.49Å; V317-P319 VanDerWaalsContact O-N 3.13Å; P319-V321 PolarHBondContact O-N 3.31Å; P319-V321 VanDerWaalsContact O-N 3.15Å
320	R	41.5	Very low	47	Very low	224 Å²	224	134.6 Å²	134.6	85%	0.845	69%	0.692	S	S	*	*			trans	-61.1	121.8	164	-72	-171.2	179	-165.3	-0	105	T318 V322	T318-R320 PolarHBondContact O-N 3.25Å; R320-V322 WeakPolarHBondContact O-CG2 3.32Å; R320-V322 PolarHBondContact O-N 3.19Å
321	V	42.8	Very low	46.8	Very low	125 Å²	125	130.7 Å²	130.7	76%	0.758	69%	0.685	S	S	*	*			trans	-62.7	92.5	174.6	-179.4	0	0	0	0	106.8	P319 K323	P319-V321 PolarHBondContact O-N 3.31Å; P319-V321 VanDerWaalsContact O-N 3.15Å; V321-K323 HydrophobicContact CG1-CG 4.15Å; V321-K323 PolarHBondContact O-N 3.41Å; V321-K323 VanDerWaalsContact O-N 3.15Å
322	V	47.1	Very low	47	Very low	100 Å²	100	133 Å²	133	61%	0.606	69%	0.689	S	S	*	*			trans	-73.3	103.7	172.8	-177.1	0	0	0	0	105.5	R320 D324	R320-V322 WeakPolarHBondContact O-CG2 3.32Å; R320-V322 PolarHBondContact O-N 3.19Å; V322-D324 WeakPolarHBondContact CG1-O 3.44Å; V322-D324 PolarHBondContact O-N 2.67Å
323	K	47.6	Very low	46.9	Very low	186 Å²	186	132.4 Å²	132.4	81%	0.809	68%	0.68	S	S	*	*			trans	-74.9	-6.8	-178.1	-84.1	-173.4	174.9	-179.3	0	113.7	V321	V321-K323 HydrophobicContact CG1-CG 4.15Å; V321-K323 PolarHBondContact O-N 3.41Å; V321-K323 VanDerWaalsContact O-N 3.15Å
324	D	45.7	Very low	46.5	Very low	109 Å²	109	131.1 Å²	131.1	58%	0.583	68%	0.678	S	S	*	*	S	Bend	trans	-119.7	130.6	-174.4	-56.6	-43.1	0	0	0	111.4	V322 Q326	V322-D324 WeakPolarHBondContact CG1-O 3.44Å; V322-D324 PolarHBondContact O-N 2.67Å; D324-Q326 PolarHBondContact O-N 3.17Å
325	R	46.2	Very low	46.7	Very low	242 Å²	242	129.3 Å²	129.3	91%	0.913	67%	0.67	S	S	*	*			trans	-69.6	94.3	-178.1	-73.4	179.4	126.9	176.4	-1.2	110.1
326	Q	41.9	Very low	46.1	Very low	94 Å²	94	125.2 Å²	125.2	44%	0.439	67%	0.672	S	S	.	*			trans	-76.4	130.5	173.4	-140.5	105.2	19.4	0	0	110.9	D324 G331 N333	D324-Q326 PolarHBondContact O-N 3.17Å; Q326-G331 PolarHBondContact NE2-O 3.3Å; Q326-G331 VanDerWaalsContact NE2-O 3.12Å; Q326-N333 VanDerWaalsContact CD-OD1 3.23Å; Q326-N333 PolarHBondContact NE2-OD1 2.85Å; Q326-N333 PolarHBondContact OE1-OD1 3.3Å
327	N	47.5	Very low	45.6	Very low	79 Å²	79	125.8 Å²	125.8	42%	0.422	66%	0.664	S	S	.	*			trans	-77.9	121.2	172.2	-177.1	0.5	0	0	0	110.2	L329 G331	N327-L329 PolarHBondContact O-N 3.36Å; N327-L329 VanDerWaalsContact O-N 3.14Å; N327-L329 PolarHBondContact OD1-N 3.09Å; N327-G331 PolarHBondContact O-N 3.15Å
328	P	51	Low	44.8	Very low	123 Å²	123	127 Å²	127	80%	0.799	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-9.4	-172.6	26.5	-35.4	0	0	0	115.4
329	L	54.3	Low	44.3	Very low	167 Å²	167	131.3 Å²	131.3	87%	0.874	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-26.6	-179.7	-120.1	83.6	0	0	0	114.7	N327	N327-L329 PolarHBondContact O-N 3.36Å; N327-L329 VanDerWaalsContact O-N 3.14Å; N327-L329 PolarHBondContact OD1-N 3.09Å
330	S	52.6	Low	43.8	Very low	71 Å²	71	137.2 Å²	137.2	50%	0.497	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.7	-13.8	-175.3	58.5	0	0	0	0	114.1	E332	S330-E332 PolarHBondContact O-N 3.15Å
331	G	48.6	Very low	43.6	Very low	51 Å²	51	135.5 Å²	135.5	53%	0.526	69%	0.692	S	S	.	*			trans	64.4	-4	-177.6	0	0	0	0	0	114.8	Q326 N327	Q326-G331 PolarHBondContact NE2-O 3.3Å; Q326-G331 VanDerWaalsContact NE2-O 3.12Å; N327-G331 PolarHBondContact O-N 3.15Å
332	E	51.2	Low	43.5	Very low	146 Å²	146	133.2 Å²	133.2	68%	0.682	69%	0.693	S	S	*	*			trans	-81.4	128.9	-173.5	-156.9	172.8	-171.4	0	0	110.5	S330 V334	S330-E332 PolarHBondContact O-N 3.15Å; E332-V334 PolarHBondContact O-N 2.84Å
333	N	40.5	Very low	42.8	Very low	90 Å²	90	137.8 Å²	137.8	48%	0.481	71%	0.708	S	S	.	*			trans	-61.8	119.5	175.9	-97.1	-15.2	0	0	0	108.9	Q326 E335	Q326-N333 VanDerWaalsContact CD-OD1 3.23Å; Q326-N333 PolarHBondContact NE2-OD1 2.85Å; Q326-N333 PolarHBondContact OE1-OD1 3.3Å; N333-E335 VanDerWaalsContact C-N 3.3Å; N333-E335 PolarHBondContact O-N 2.89Å
334	V	49.7	Very low	42.3	Very low	106 Å²	106	134.2 Å²	134.2	64%	0.642	71%	0.706	S	S	*	*			trans	-76.5	87.3	173.2	-175.9	0	0	0	0	107.6	E332 S336	E332-V334 PolarHBondContact O-N 2.84Å; V334-S336 PolarHBondContact O-N 3.11Å
335	E	45.5	Very low	41.6	Very low	127 Å²	127	139 Å²	139	59%	0.593	72%	0.722	S	S	*	*			trans	-68.4	112.9	171.7	-72.4	-179.5	169	0	0	109.3	N333 Y337	N333-E335 VanDerWaalsContact C-N 3.3Å; N333-E335 PolarHBondContact O-N 2.89Å; E335-Y337 HydrophobicContact CB-CD2 4.28Å; E335-Y337 HydrophobicContact CB-CE2 3.56Å; E335-Y337 VanDerWaalsContact O-CD2 3.29Å; E335-Y337 WeakPolarHBondContact O-CD2 3.5Å; E335-Y337 PolarHBondContact O-N 3.14Å; E335-Y337 PolarHBondContact OE2-OH 3.31Å
336	S	37.6	Very low	41.3	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	72%	0.722	S	S	*	*			trans	-80.4	108	176.9	52.5	0	0	0	0	110.3	V334	V334-S336 PolarHBondContact O-N 3.11Å
337	Y	31.9	Very low	41.1	Very low	155 Å²	155	141.2 Å²	141.2	61%	0.608	74%	0.742	S	S	*	*			trans	-92.4	128.2	174.8	-67.7	-86.2	0	0	0	111.3	E335	E335-Y337 HydrophobicContact CB-CD2 4.28Å; E335-Y337 HydrophobicContact CB-CE2 3.56Å; E335-Y337 VanDerWaalsContact O-CD2 3.29Å; E335-Y337 WeakPolarHBondContact O-CD2 3.5Å; E335-Y337 PolarHBondContact O-N 3.14Å; E335-Y337 PolarHBondContact OE2-OH 3.31Å
338	T	35.1	Very low	40.8	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	76%	0.76	S	S	*	*			trans	-95.1	103.9	174.8	-44	0	0	0	0	108.7
339	Y	28.1	Very low	40.3	Very low	203 Å²	203	147.3 Å²	147.3	80%	0.796	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-80	131.5	178	-67.5	-88.1	0	0	0	110.7
340	R	32.5	Very low	39.6	Very low	235 Å²	235	148.4 Å²	148.4	89%	0.887	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-97.3	133.1	165.3	-64.4	-166.8	-179.5	-176.8	1.7	108.8	G342	R340-G342 PolarHBondContact O-N 3.27Å
341	L	38.5	Very low	38.9	Very low	188 Å²	188	155.9 Å²	155.9	98%	0.984	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	122.3	179.3	-86.9	102.9	0	0	0	110.3
342	G	40.8	Very low	38.2	Very low	77 Å²	77	160.3 Å²	160.3	79%	0.794	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	149.3	-21.2	163.7	0	0	0	0	0	118.1	R340	R340-G342 PolarHBondContact O-N 3.27Å
343	E	31.9	Very low	37.8	Very low	195 Å²	195	161.2 Å²	161.2	91%	0.911	80%	0.798	S	S	*	*			trans	-102.5	122.9	-176.4	-71.4	-171	168.4	0	0	113.8
344	S	37.3	Very low	37.5	Very low	111 Å²	111	161.8 Å²	161.8	78%	0.776	81%	0.809	S	S	*	*			trans	-91.6	104.2	-177.3	54.2	0	0	0	0	112
345	K	30.9	Very low	36.7	Very low	210 Å²	210	161.5 Å²	161.5	91%	0.913	81%	0.812	S	S	*	*			trans	172.2	133.8	157.3	-95.9	156.8	-171.9	-177.4	0	106.8
346	R	41.1	Very low	36.4	Very low	240 Å²	240	161 Å²	161	91%	0.906	82%	0.82	S	S	*	*			cis	-133.8	124.6	4.6	-143.4	-179.1	-171.5	-151.1	3	105.1	V348	R346-V348 PolarHBondContact O-N 2.91Å; R346-V348 VanDerWaalsContact O-N 3.08Å
347	T	37.6	Very low	36.5	Very low	142 Å²	142	163.8 Å²	163.8	87%	0.871	83%	0.825	S	S	*	*			trans	-70.3	101.9	-177	27.3	0	0	0	0	110.8	K349	T347-K349 PolarHBondContact O-N 3.29Å
348	V	40.7	Very low	37	Very low	130 Å²	130	161.7 Å²	161.7	79%	0.788	83%	0.829	S	S	*	*			trans	-66.9	100.7	162.7	178.6	0	0	0	0	106.6	R346 K350	R346-V348 PolarHBondContact O-N 2.91Å; R346-V348 VanDerWaalsContact O-N 3.08Å; V348-K350 VanDerWaalsContact C-N 3.31Å; V348-K350 PolarHBondContact O-N 3.32Å
349	K	39.2	Very low	36.8	Very low	200 Å²	200	157.8 Å²	157.8	87%	0.87	82%	0.816	S	S	*	*			trans	-58.1	94.8	170.2	-110.9	-178.5	176.7	177.8	0	107.9	T347 R351	T347-K349 PolarHBondContact O-N 3.29Å; K349-R351 PolarHBondContact O-N 2.86Å
350	K	39.4	Very low	37.4	Very low	191 Å²	191	157 Å²	157	83%	0.83	83%	0.826	S	S	*	*			trans	-64.8	116	164.7	-71.6	-169.4	176.2	-177.4	0	106.3	V348 D352	V348-K350 VanDerWaalsContact C-N 3.31Å; V348-K350 PolarHBondContact O-N 3.32Å; K350-D352 PolarHBondContact O-N 3.18Å
351	R	37.9	Very low	37.8	Very low	227 Å²	227	149.3 Å²	149.3	86%	0.857	82%	0.82	S	S	*	*			trans	-67.7	126.5	169	-63.8	-175.3	-158.2	105	2.3	106.8	K349 L353	K349-R351 PolarHBondContact O-N 2.86Å; R351-L353 PolarHBondContact O-N 2.98Å; R351-L353 VanDerWaalsContact O-N 3.1Å
352	D	35.5	Very low	37.6	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	80%	0.796	S	S	*	*			trans	-60.1	111.1	167	-82.1	-33.6	0	0	0	108.6	K350 S354	K350-D352 PolarHBondContact O-N 3.18Å; D352-S354 PolarHBondContact O-N 3.32Å
353	L	42.2	Very low	37.5	Very low	164 Å²	164	152 Å²	152	86%	0.859	80%	0.804	S	S	*	*			trans	-82.3	21.5	176.5	-68.3	174	0	0	0	112.2	R351 S355	R351-L353 PolarHBondContact O-N 2.98Å; R351-L353 VanDerWaalsContact O-N 3.1Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.42Å
354	S	34.3	Very low	37.6	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	79%	0.789	S	S	*	*			trans	-83.4	8	179.5	58.6	0	0	0	0	114.3	D352	D352-S354 PolarHBondContact O-N 3.32Å
355	S	32.1	Very low	37.4	Very low	101 Å²	101	150.4 Å²	150.4	71%	0.706	79%	0.79	S	S	*	*	S	Bend	trans	-106.7	116.1	167.2	-65.9	0	0	0	0	110.6	L353 L357	L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.42Å; S355-L357 PolarHBondContact O-N 2.89Å
356	P	39.3	Very low	37.6	Very low	117 Å²	117	146 Å²	146	76%	0.76	79%	0.786	S	S	*	*			trans	-90	94.6	-164.3	34.7	-32.9	0	0	0	112
357	L	40.7	Very low	37.1	Very low	169 Å²	169	143.4 Å²	143.4	89%	0.885	78%	0.778	S	S	*	*	S	Bend	trans	-145.6	62.1	155.7	-97.7	106.6	0	0	0	107.1	S355	S355-L357 PolarHBondContact O-N 2.89Å
358	T	41	Very low	37.1	Very low	110 Å²	110	144.2 Å²	144.2	68%	0.675	78%	0.775	S	S	*	*	S	Bend		-170.1	119.3	91.6	2.6	0	0	0	0	107.2	S362	T358-S362 WeakPolarHBondContact CB-OG 3.38Å; T358-S362 VanDerWaalsContact CG2-CB 3.48Å; T358-S362 WeakPolarHBondContact CG2-OG 3.44Å
359	G	32.8	Very low	36.6	Very low	57 Å²	57	143.7 Å²	143.7	59%	0.588	77%	0.772	S	S	*	*			trans	-62.8	165.2	177.2	0	0	0	0	0	113.1	G361 S362	G359-G361 PolarHBondContact O-N 2.99Å; G359-S362 PolarHBondContact O-N 3.13Å; G359-S362 PolarHBondContact O-OG 2.99Å; G359-S362 VanDerWaalsContact O-OG 3.11Å
360	D	40.7	Very low	36.2	Very low	185 Å²	185	139 Å²	139	99%	0.989	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.3	111.4	175.5	-77.3	-30.9	0	0	0	110.7
361	G	39.4	Very low	36.3	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.7	-9	177.7	0	0	0	0	0	115.3	G359 R363	G359-G361 PolarHBondContact O-N 2.99Å; G361-R363 VanDerWaalsContact C-N 3.31Å; G361-R363 PolarHBondContact O-N 2.92Å
362	S	35.5	Very low	36	Very low	71 Å²	71	134.1 Å²	134.1	50%	0.497	76%	0.757	S	S	.	*			trans	-80.1	75.8	-179.5	-45.5	0	0	0	0	111	T358 G359 G364	T358-S362 WeakPolarHBondContact CB-OG 3.38Å; T358-S362 VanDerWaalsContact CG2-CB 3.48Å; T358-S362 WeakPolarHBondContact CG2-OG 3.44Å; G359-S362 PolarHBondContact O-N 3.13Å; G359-S362 PolarHBondContact O-OG 2.99Å; G359-S362 VanDerWaalsContact O-OG 3.11Å; S362-G364 PolarHBondContact O-N 3.01Å
363	R	37.5	Very low	35.7	Very low	251 Å²	251	134.6 Å²	134.6	95%	0.947	76%	0.755	S	S	*	*			trans	-68.7	61	166.6	-77.4	176.3	143.1	147.6	-5.3	110.2	G361	G361-R363 VanDerWaalsContact C-N 3.31Å; G361-R363 PolarHBondContact O-N 2.92Å
364	G	35.1	Very low	35.1	Very low	58 Å²	58	135.2 Å²	135.2	60%	0.598	75%	0.751	S	S	*	*			trans	-73	129.7	167.2	0	0	0	0	0	108.5	S362 S366	S362-G364 PolarHBondContact O-N 3.01Å; G364-S366 PolarHBondContact O-N 3.31Å; G364-S366 VanDerWaalsContact O-N 3.08Å
365	R	33.4	Very low	34.9	Very low	214 Å²	214	138.4 Å²	138.4	81%	0.808	75%	0.754	S	S	*	*			trans	-55.6	116	173	-75.3	177.3	168.4	-169	-5	108.4	Y367	R365-Y367 HydrophobicContact CB-CE2 4.19Å; R365-Y367 VanDerWaalsContact O-CD2 3.28Å; R365-Y367 WeakPolarHBondContact O-CD2 3.5Å; R365-Y367 PolarHBondContact O-N 2.95Å
366	S	34.7	Very low	35.1	Very low	117 Å²	117	141 Å²	141	82%	0.818	76%	0.759	S	S	*	*			trans	-64.9	117.3	172.1	-35.1	0	0	0	0	108.2	G364	G364-S366 PolarHBondContact O-N 3.31Å; G364-S366 VanDerWaalsContact O-N 3.08Å
367	Y	29.5	Very low	34.6	Very low	187 Å²	187	140.7 Å²	140.7	73%	0.733	76%	0.759	S	S	*	*			trans	-93.7	127	165.7	-64.1	-87.6	0	0	0	107.7	R365	R365-Y367 HydrophobicContact CB-CE2 4.19Å; R365-Y367 VanDerWaalsContact O-CD2 3.28Å; R365-Y367 WeakPolarHBondContact O-CD2 3.5Å; R365-Y367 PolarHBondContact O-N 2.95Å
368	I	37.8	Very low	34.1	Very low	158 Å²	158	141 Å²	141	81%	0.81	76%	0.757	S	S	*	*			trans	-87.9	115.8	169	-60.2	171.8	0	0	0	105.8
369	V	30.8	Very low	33.6	Very low	119 Å²	119	141.2 Å²	141.2	72%	0.721	76%	0.759	S	S	*	*			trans	-102.4	111.4	173.3	-177.3	0	0	0	0	107.1	I371	V369-I371 HydrophobicContact CG1-CG1 4.41Å
370	S	30.7	Very low	33.3	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	77%	0.77	S	S	*	*			trans	-87.7	121	173	-45.5	0	0	0	0	108.3
371	I	41.1	Very low	32.7	Very low	142 Å²	142	143.8 Å²	143.8	73%	0.728	76%	0.759	S	S	*	*			trans	-102.4	109.9	171.7	-58.5	171.1	0	0	0	106.1	V369 E373	V369-I371 HydrophobicContact CG1-CG1 4.41Å; I371-E373 HydrophobicContact CG2-CG 4.49Å
372	E	31.1	Very low	32	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	76%	0.762	S	S	*	*			trans	-84.9	108.8	168.3	-74.8	-171.3	173.1	0	0	109.1	K374	E372-K374 PolarHBondContact O-N 3.03Å; E372-K374 VanDerWaalsContact O-N 3.15Å
373	E	29.2	Very low	31.8	Very low	156 Å²	156	151.6 Å²	151.6	73%	0.729	78%	0.776	S	S	*	*			trans	-75	95.9	172.1	-69.7	-176.1	162.2	0	0	109.5	I371 H375	I371-E373 HydrophobicContact CG2-CG 4.49Å; E373-H375 PolarHBondContact O-N 3.18Å
374	K	31.4	Very low	31.3	Very low	177 Å²	177	146.2 Å²	146.2	77%	0.77	77%	0.766	S	S	*	*			trans	-80.2	104.2	163.3	-85.7	-175.5	178.2	174.9	0	109.3	E372 L376	E372-K374 PolarHBondContact O-N 3.03Å; E372-K374 VanDerWaalsContact O-N 3.15Å; K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.16Å
375	H	29.8	Very low	30.9	Very low	168 Å²	168	151.4 Å²	151.4	78%	0.778	78%	0.775	S	S	*	*			trans	-64.2	91.6	165.8	-68.6	-84.1	0	0	0	109.6	E373 S377	E373-H375 PolarHBondContact O-N 3.18Å; H375-S377 PolarHBondContact O-N 2.83Å
376	L	35.3	Very low	30.7	Very low	157 Å²	157	148.1 Å²	148.1	82%	0.822	77%	0.773	S	S	*	*			trans	-74.4	106.2	163.4	-117.6	72.4	0	0	0	107.7	K374 Q378	K374-L376 VanDerWaalsContact C-N 3.35Å; K374-L376 PolarHBondContact O-N 3.16Å; L376-Q378 PolarHBondContact O-N 3.01Å
377	S	29.6	Very low	30.5	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	77%	0.773	S	S	*	*			trans	-48	125.6	166.3	49.6	0	0	0	0	109.8	H375	H375-S377 PolarHBondContact O-N 2.83Å
378	Q	29.6	Very low	30.5	Very low	177 Å²	177	145.5 Å²	145.5	83%	0.827	77%	0.77	S	S	*	*			trans	-45.9	125.7	-178.5	-64.7	177.9	-34.2	0	0	112.7	L376	L376-Q378 PolarHBondContact O-N 3.01Å
379	P	30.6	Very low	30.1	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	77%	0.767	S	S	*	*			trans	-83.2	113.9	156.3	30.4	-23.2	0	0	0	108	L381	P379-L381 PolarHBondContact O-N 2.85Å; P379-L381 VanDerWaalsContact O-N 3.13Å
380	N	25.7	Very low	30.1	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	77%	0.769	S	S	*	*			trans	-53.1	109.9	161.6	-78.1	-49.2	0	0	0	109.4
381	L	29	Very low	29.8	Very low	143 Å²	143	151.9 Å²	151.9	75%	0.749	78%	0.78	S	S	*	*			trans	-137.4	90	159.7	-83.1	170.6	0	0	0	109.5	P379 I383	P379-L381 PolarHBondContact O-N 2.85Å; P379-L381 VanDerWaalsContact O-N 3.13Å; L381-I383 HydrophobicContact CD2-CD1 4.1Å
382	N	24.9	Very low	29.3	Very low	155 Å²	155	152.4 Å²	152.4	83%	0.829	78%	0.783	S	S	*	*			trans	-44.3	131.4	133.7	-87.4	-26.4	0	0	0	108.5
383	I	30.9	Very low	29.4	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	78%	0.777	S	S	*	*			trans	-157.3	127.5	137.7	-90.6	139.7	0	0	0	107.8	L381	L381-I383 HydrophobicContact CD2-CD1 4.1Å
384	N	27.3	Very low	29.5	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	78%	0.777	S	S	*	*			trans	-65.7	160.1	173.6	-67.7	-39.8	0	0	0	112.7
385	E	26.8	Very low	29.7	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	78%	0.775	S	S	*	*			trans	12	112.2	143.6	-71.9	-179.8	138.4	0	0	117.2
386	N	29	Very low	30.1	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	77%	0.773	S	S	*	*				171	159.3	107.3	-83.5	-37.5	0	0	0	110
387	D	30.2	Very low	30.2	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	77%	0.765	S	S	*	*			trans	85	82.5	173	-64.5	-18.8	0	0	0	118.4
388	S	30.3	Very low	30.9	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	76%	0.764	S	S	*	*				-8.5	140.9	129.3	52.2	0	0	0	0	118.1
389	T	29.7	Very low	31.2	Very low	122 Å²	122	143.4 Å²	143.4	75%	0.748	76%	0.758	S	S	*	*			trans	87.8	70.6	166.3	72.2	0	0	0	0	117
390	N	29.4	Very low	31.9	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	73%	0.73	S	S	*	*	S	Bend		-177.2	108.4	117.4	-94	-41.9	0	0	0	112	I392	N390-I392 PolarHBondContact O-N 3.16Å
391	R	25.9	Very low	33.2	Very low	251 Å²	251	140 Å²	140	95%	0.947	73%	0.732	S	S	*	*			trans	28.6	77	148.8	-70.4	-178.2	-178.2	179.6	1.8	116.5
392	I	29.9	Very low	34	Very low	154 Å²	154	140.9 Å²	140.9	79%	0.79	74%	0.737	S	S	*	*			trans	-104.6	110.9	166.3	-70.3	172.9	0	0	0	108.9	N390	N390-I392 PolarHBondContact O-N 3.16Å
393	V	32.9	Very low	35.3	Very low	114 Å²	114	137.3 Å²	137.3	69%	0.691	72%	0.721	S	S	*	*			trans	53.1	86.8	136	-167.5	0	0	0	0	115.9	S395	V393-S395 VanDerWaalsContact C-N 3.29Å; V393-S395 PolarHBondContact O-N 2.83Å
394	S	31.8	Very low	35.9	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	70%	0.703	S	S	*	*			trans	-64.2	98.9	149.5	178.1	0	0	0	0	107.5	K396	S394-K396 PolarHBondContact O-N 2.76Å
395	S	36	Very low	36.8	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	70%	0.698	S	S	*	*			trans	-60.8	68.3	169.8	35.5	0	0	0	0	110.8	V393 T397	V393-S395 VanDerWaalsContact C-N 3.29Å; V393-S395 PolarHBondContact O-N 2.83Å; S395-T397 PolarHBondContact O-N 2.78Å
396	K	38.2	Very low	37.6	Very low	168 Å²	168	129 Å²	129	73%	0.73	69%	0.688	S	S	*	*			trans	-64.7	119.1	156.6	-73.6	-179.2	180	176.6	0	106.1	S394 L398	S394-K396 PolarHBondContact O-N 2.76Å; K396-L398 PolarHBondContact O-N 3.39Å
397	T	37.9	Very low	38.1	Very low	106 Å²	106	124.3 Å²	124.3	65%	0.65	67%	0.666	S	S	*	*			trans	-54.7	96.9	-179.5	-26.9	0	0	0	0	109.6	S395 R399 N406	S395-T397 PolarHBondContact O-N 2.78Å; T397-R399 PolarHBondContact O-N 3.17Å; T397-N406 HydrophobicContact CG2-CB 4.42Å; T397-N406 WeakPolarHBondContact CG2-OD1 3.37Å
398	L	43.2	Very low	38.9	Very low	143 Å²	143	125 Å²	125	75%	0.749	67%	0.668	S	S	*	*			trans	-84.3	103.5	177.5	-69.8	176.1	0	0	0	107.7	K396	K396-L398 PolarHBondContact O-N 3.39Å
399	R	36	Very low	39.3	Very low	187 Å²	187	126.2 Å²	126.2	71%	0.706	67%	0.672	S	S	*	*	B	Isolated β-bridge	trans	-62.7	142.4	173.2	-75.4	-173.8	-148	161.2	7.3	110.2	T397 I401	T397-R399 PolarHBondContact O-N 3.17Å; R399-I401 PolarHBondContact O-N 3.06Å
400	N	44.9	Very low	39.6	Very low	25 Å²	25	126.6 Å²	126.6	13%	0.134	66%	0.661	C	S	.	*			trans	-54.1	124.5	160	-168.3	-29.8	0	0	0	109.8	L402 T403 G404 E405 Y410	N400-L402 PolarHBondContact O-N 3.2Å; N400-L402 PolarHBondContact OD1-N 2.84Å; N400-T403 VanDerWaalsContact CB-OG1 3.32Å; N400-T403 WeakPolarHBondContact CB-OG1 3.2Å; N400-T403 PolarHBondContact ND2-OG1 3.23Å; N400-T403 PolarHBondContact OD1-N 2.93Å; N400-G404 WeakPolarHBondContact O-CA 3.36Å; N400-G404 PolarHBondContact O-N 2.97Å; N400-E405 WeakPolarHBondContact CB-O 3.46Å; N400-E405 PolarHBondContact N-O 3.29Å; N400-Y410 WeakPolarHBondContact CB-OH 3.09Å; N400-Y410 PolarHBondContact ND2-OH 3.33Å; N400-Y410 PolarHBondContact OD1-OH 3.21Å; N400-Y410 VanDerWaalsContact OD1-OH 3.13Å
401	I	54	Low	39.8	Very low	170 Å²	170	127.4 Å²	127.4	87%	0.872	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-28.5	178.9	-60.2	173.3	0	0	0	110.9	R399	R399-I401 PolarHBondContact O-N 3.06Å
402	L	44.7	Very low	40.3	Very low	162 Å²	162	121.4 Å²	121.4	85%	0.848	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-38.7	-174.5	-62.1	175	0	0	0	113.4	N400	N400-L402 PolarHBondContact O-N 3.2Å; N400-L402 PolarHBondContact OD1-N 2.84Å
403	T	53.6	Low	40.3	Very low	80 Å²	80	118.8 Å²	118.8	49%	0.491	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	-13.3	-178.4	70.5	0	0	0	0	113.9	N400 E405	N400-T403 VanDerWaalsContact CB-OG1 3.32Å; N400-T403 WeakPolarHBondContact CB-OG1 3.2Å; N400-T403 PolarHBondContact ND2-OG1 3.23Å; N400-T403 PolarHBondContact OD1-N 2.93Å; T403-E405 PolarHBondContact O-N 3.19Å; T403-E405 PolarHBondContact OG1-N 3.19Å
404	G	42.9	Very low	40.5	Very low	40 Å²	40	120.9 Å²	120.9	41%	0.412	65%	0.652	S	S	.	*			trans	69.7	0.5	-174.4	0	0	0	0	0	114.7	N400	N400-G404 WeakPolarHBondContact O-CA 3.36Å; N400-G404 PolarHBondContact O-N 2.97Å
405	E	46.8	Very low	40.6	Very low	134 Å²	134	124 Å²	124	63%	0.626	66%	0.655	S	S	*	*			trans	-81.7	150.5	-177.7	-64.1	177.7	160	0	0	111.9	N400 T403 C407	N400-E405 WeakPolarHBondContact CB-O 3.46Å; N400-E405 PolarHBondContact N-O 3.29Å; T403-E405 PolarHBondContact O-N 3.19Å; T403-E405 PolarHBondContact OG1-N 3.19Å; E405-C407 PolarHBondContact O-N 3.02Å
406	N	41.9	Very low	40.3	Very low	111 Å²	111	127.6 Å²	127.6	59%	0.594	66%	0.663	S	S	*	*	B	Isolated β-bridge	trans	-75.4	101.8	176.7	-69.5	-18.5	0	0	0	108.9	T397	T397-N406 HydrophobicContact CG2-CB 4.42Å; T397-N406 WeakPolarHBondContact CG2-OD1 3.37Å
407	C	40.2	Very low	39.9	Very low	46 Å²	46	128.1 Å²	128.1	31%	0.311	66%	0.66	S	S	.	*			trans	-92.8	127.6	176.5	-53	0	0	0	0	109.5	E405 T409 Y410	E405-C407 PolarHBondContact O-N 3.02Å; C407-T409 VanDerWaalsContact C-N 3.35Å; C407-Y410 HydrophobicContact CB-CD2 4.05Å; C407-Y410 HydrophobicContact CB-CE2 3.55Å
408	I	46.9	Very low	39.6	Very low	167 Å²	167	128.8 Å²	128.8	86%	0.856	67%	0.669	S	S	*	*	S	Bend	trans	-81.6	-18.1	-178.3	-58.4	172.2	0	0	0	111.4
409	T	38	Very low	38.9	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	67%	0.669	S	S	*	*			trans	-146.1	120.1	-177.6	33.9	0	0	0	0	111.2	C407	C407-T409 VanDerWaalsContact C-N 3.35Å
410	Y	36.3	Very low	38.7	Very low	131 Å²	131	129.2 Å²	129.2	51%	0.514	67%	0.673	S	S	.	*			trans	-113.2	114	160.2	-87.1	-85.4	0	0	0	107.6	N400 C407 V412	N400-Y410 WeakPolarHBondContact CB-OH 3.09Å; N400-Y410 PolarHBondContact ND2-OH 3.33Å; N400-Y410 PolarHBondContact OD1-OH 3.21Å; N400-Y410 VanDerWaalsContact OD1-OH 3.13Å; C407-Y410 HydrophobicContact CB-CD2 4.05Å; C407-Y410 HydrophobicContact CB-CE2 3.55Å; Y410-V412 PolarHBondContact O-N 2.99Å
411	N	35	Very low	38.3	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	70%	0.7	S	S	*	*			trans	-77	99.6	153.5	-77.1	-14	0	0	0	105.8	C413	N411-C413 PolarHBondContact O-N 2.85Å
412	V	34.8	Very low	37.3	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	69%	0.686	S	S	*	*			trans	-64.1	105	166.5	177.3	0	0	0	0	105.7	Y410 Q414	Y410-V412 PolarHBondContact O-N 2.99Å; V412-Q414 PolarHBondContact O-N 2.78Å
413	C	31	Very low	37.1	Very low	99 Å²	99	131 Å²	131	67%	0.669	68%	0.684	S	S	*	*			trans	-53.6	110.1	169.9	-67.5	0	0	0	0	107.6	N411 E415	N411-C413 PolarHBondContact O-N 2.85Å; C413-E415 PolarHBondContact O-N 3.27Å
414	Q	36.1	Very low	36.4	Very low	158 Å²	158	133.1 Å²	133.1	74%	0.738	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	1.7	-179.3	-173.9	154.8	-12.1	0	0	112.8	V412	V412-Q414 PolarHBondContact O-N 2.78Å
415	E	33.5	Very low	36	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.794	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	18.8	-175.8	-149.3	-179	175.6	0	0	113.8	C413 R417	C413-E415 PolarHBondContact O-N 3.27Å; E415-R417 PolarHBondContact O-N 2.97Å
416	M	30.1	Very low	35.5	Very low	178 Å²	178	135.4 Å²	135.4	88%	0.877	72%	0.722	S	S	*	*			trans	-80.7	11	164.8	-77.1	-80.4	-71.3	0	0	112.5	S418	M416-S418 PolarHBondContact O-N 3.37Å
417	R	31.2	Very low	35.2	Very low	179 Å²	179	137.2 Å²	137.2	68%	0.675	73%	0.73	S	S	*	*	S	Bend	trans	-78.8	106.4	164.2	-75.5	-169.7	157.7	109	-1.4	107.8	E415 E419	E415-R417 PolarHBondContact O-N 2.97Å; R417-E419 HydrophobicContact CB-CG 4.47Å; R417-E419 WeakPolarHBondContact O-CG 3.2Å; R417-E419 PolarHBondContact O-N 2.85Å
418	S	31.2	Very low	34.7	Very low	121 Å²	121	143.2 Å²	143.2	85%	0.846	76%	0.755	S	S	*	*			trans	-61.7	89.9	164.3	55.9	0	0	0	0	108.7	M416 K420	M416-S418 PolarHBondContact O-N 3.37Å; S418-K420 PolarHBondContact O-N 3.34Å
419	E	27.8	Very low	34	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	76%	0.757	S	S	*	*			trans	-74.1	118.4	172.7	-48.8	-163.9	-150.7	0	0	107.9	R417 I421	R417-E419 HydrophobicContact CB-CG 4.47Å; R417-E419 WeakPolarHBondContact O-CG 3.2Å; R417-E419 PolarHBondContact O-N 2.85Å; E419-I421 PolarHBondContact O-N 2.78Å; E419-I421 VanDerWaalsContact O-N 3.12Å
420	K	31.6	Very low	33.5	Very low	180 Å²	180	146.3 Å²	146.3	78%	0.783	76%	0.763	S	S	*	*			trans	-74.3	100.3	173.1	-170	-174.2	178	-158	0	106.5	S418 D422	S418-K420 PolarHBondContact O-N 3.34Å; K420-D422 PolarHBondContact O-N 3.19Å
421	I	37.5	Very low	33.3	Very low	140 Å²	140	147.4 Å²	147.4	72%	0.718	78%	0.778	S	S	*	*			trans	-66	102.3	175.5	-62.2	160	0	0	0	107.4	E419 N423	E419-I421 PolarHBondContact O-N 2.78Å; E419-I421 VanDerWaalsContact O-N 3.12Å; I421-N423 WeakPolarHBondContact CG2-OD1 3.49Å; I421-N423 PolarHBondContact O-N 3.28Å
422	D	32.5	Very low	33.1	Very low	107 Å²	107	144.1 Å²	144.1	57%	0.572	77%	0.767	S	S	*	*			trans	-77.6	109.9	164	-70.2	-31.3	0	0	0	106.7	K420 T424	K420-D422 PolarHBondContact O-N 3.19Å; D422-T424 PolarHBondContact O-N 3.4Å
423	N	39.5	Very low	33.1	Very low	149 Å²	149	148.5 Å²	148.5	80%	0.797	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	38	-171.5	-80.4	-16.7	0	0	0	115.3	I421	I421-N423 WeakPolarHBondContact CG2-OD1 3.49Å; I421-N423 PolarHBondContact O-N 3.28Å
424	T	39.2	Very low	33.2	Very low	123 Å²	123	153.5 Å²	153.5	76%	0.755	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-1.7	178.6	43.8	0	0	0	0	115.1	D422	D422-T424 PolarHBondContact O-N 3.4Å
425	T	35.5	Very low	33.4	Very low	126 Å²	126	154.6 Å²	154.6	77%	0.773	79%	0.787	S	S	*	*	S	Bend	trans	-132.3	34.5	-177.8	49.1	0	0	0	0	114.7
426	A	36.1	Very low	33.6	Very low	97 Å²	97	151.2 Å²	151.2	80%	0.802	78%	0.782	S	S	*	*			trans	-116.8	42.7	166.4	0	0	0	0	0	111.3
427	I	34.5	Very low	34.6	Very low	148 Å²	148	147.9 Å²	147.9	76%	0.759	78%	0.776	S	S	*	*	S	Bend	trans	-112.5	130.2	152.6	-56.4	174.9	0	0	0	103.2
428	M	30.5	Very low	34.9	Very low	173 Å²	173	147 Å²	147	85%	0.852	77%	0.774	S	S	*	*	S	Bend	trans	92.8	66.3	-171.6	-42	-129.9	-176.3	0	0	114.1
429	N	31.3	Very low	35.9	Very low	165 Å²	165	145 Å²	145	88%	0.882	75%	0.754	S	S	*	*				-159.6	96.7	127.4	-94.8	-20	0	0	0	107.9	N431	N429-N431 PolarHBondContact O-N 3.13Å
430	E	27.8	Very low	37	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	76%	0.755	S	S	*	*			trans	-55.4	113.7	159.7	-76.5	179.3	132	0	0	108.5
431	N	33.1	Very low	37.6	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	76%	0.756	S	S	*	*			trans	-161.8	104.9	136.5	-90.3	-28.2	0	0	0	107.8	N429	N429-N431 PolarHBondContact O-N 3.13Å
432	S	30.9	Very low	38.6	Very low	88 Å²	88	141.4 Å²	141.4	62%	0.615	75%	0.75	S	S	*	*			trans	-27.4	136.1	152.6	46.1	0	0	0	0	112.1
433	Y	35.1	Very low	39.1	Very low	217 Å²	217	138.5 Å²	138.5	85%	0.851	75%	0.745	S	S	*	*				-151.8	141.8	63.5	-87.9	-92.4	0	0	0	112.7	H435	Y433-H435 PolarHBondContact O-N 3.04Å
434	K	32	Very low	39.2	Very low	205 Å²	205	136 Å²	136	89%	0.891	74%	0.739	S	S	*	*			trans	-40.6	109.4	179.2	-64.7	168.1	175.8	177	0	114.9
435	H	39.7	Very low	39.2	Very low	181 Å²	181	136.7 Å²	136.7	84%	0.838	74%	0.739	S	S	*	*			trans	-113.7	97.7	143	-128.1	-70.4	0	0	0	106.7	Y433 S437	Y433-H435 PolarHBondContact O-N 3.04Å; H435-S437 PolarHBondContact O-N 3.33Å; H435-S437 PolarHBondContact O-OG 3.33Å
436	S	39.2	Very low	39.4	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	74%	0.737	S	S	*	*			trans	-57.7	109.9	177.9	-160.7	0	0	0	0	108	Y438	S436-Y438 PolarHBondContact O-N 3.05Å; S436-Y438 VanDerWaalsContact O-N 3.13Å
437	S	50.4	Low	39.6	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	73%	0.733	S	S	*	*			trans	-76.4	97.9	177.3	-32.5	0	0	0	0	106.6	H435 N439	H435-S437 PolarHBondContact O-N 3.33Å; H435-S437 PolarHBondContact O-OG 3.33Å; S437-N439 PolarHBondContact O-N 3.24Å; S437-N439 VanDerWaalsContact O-N 3.12Å
438	Y	38	Very low	39.9	Very low	161 Å²	161	138.9 Å²	138.9	63%	0.631	73%	0.732	S	S	*	*			trans	-61.4	113.3	178.5	-175.1	-101	0	0	0	109.6	S436 I440	S436-Y438 PolarHBondContact O-N 3.05Å; S436-Y438 VanDerWaalsContact O-N 3.13Å; Y438-I440 HydrophobicContact CD1-CG1 4.14Å; Y438-I440 HydrophobicContact CE1-CG1 4.37Å; Y438-I440 PolarHBondContact O-N 3.36Å
439	N	51.6	Low	40.5	Very low	78 Å²	78	136.8 Å²	136.8	42%	0.417	72%	0.724	S	S	.	*			trans	-88	107	179.9	-169.1	-14.8	0	0	0	109.8	S437 I441 T442 G443 S444	S437-N439 PolarHBondContact O-N 3.24Å; S437-N439 VanDerWaalsContact O-N 3.12Å; N439-I441 PolarHBondContact O-N 3.46Å; N439-I441 PolarHBondContact OD1-N 2.8Å; N439-T442 PolarHBondContact O-N 3.1Å; N439-G443 PolarHBondContact O-N 2.86Å; N439-S444 PolarHBondContact N-O 3.33Å
440	I	50.3	Low	41.1	Very low	151 Å²	151	134.9 Å²	134.9	77%	0.774	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-20.5	-175	-62.3	169.9	0	0	0	112.6	Y438	Y438-I440 HydrophobicContact CD1-CG1 4.14Å; Y438-I440 HydrophobicContact CE1-CG1 4.37Å; Y438-I440 PolarHBondContact O-N 3.36Å
441	I	45	Very low	42	Very low	156 Å²	156	131.1 Å²	131.1	80%	0.8	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-34.6	-178.4	-55.4	176.8	0	0	0	111.6	N439	N439-I441 PolarHBondContact O-N 3.46Å; N439-I441 PolarHBondContact OD1-N 2.8Å
442	T	59.1	Low	42.7	Very low	95 Å²	95	129.4 Å²	129.4	58%	0.583	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	-8.7	-178.6	56.1	0	0	0	0	113.9	N439 S444	N439-T442 PolarHBondContact O-N 3.1Å; T442-S444 VanDerWaalsContact C-N 3.3Å; T442-S444 PolarHBondContact O-N 2.87Å; T442-S444 PolarHBondContact OG1-OG 2.94Å
443	G	41.5	Very low	43.7	Very low	46 Å²	46	132.8 Å²	132.8	47%	0.474	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.6	21.9	177.3	0	0	0	0	0	114.9	N439	N439-G443 PolarHBondContact O-N 2.86Å
444	S	42.6	Very low	44.5	Very low	97 Å²	97	125.2 Å²	125.2	68%	0.678	69%	0.685	S	S	*	*			trans	-117.5	0	-178.8	62.1	0	0	0	0	112.1	N439 T442	N439-S444 PolarHBondContact N-O 3.33Å; T442-S444 VanDerWaalsContact C-N 3.3Å; T442-S444 PolarHBondContact O-N 2.87Å; T442-S444 PolarHBondContact OG1-OG 2.94Å

Retrieved 444 of 444 residues in 185.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).