G4LX28_SCHMA Loading...

DIX domain-containing protein

AlphaFold DB , UniProt , Accession G4LX28, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 355 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	59	Low	59.5	Low	243 Å²	243	171 Å²	171	100%	1.197	87%	0.87	S	S	*	*				0	133.5	0	-69.5	-178.2	89.3	0	0	108.9
2	S	55.5	Low	59.5	Low	119 Å²	119	169.9 Å²	169.9	83%	0.832	87%	0.865	S	S	*	*			trans	38.3	112.7	152.9	-155.7	0	0	0	0	119.8
3	G	47	Very low	59.9	Low	71 Å²	71	167.6 Å²	167.6	73%	0.732	86%	0.864	S	S	*	*			trans	-68.9	163.4	163	0	0	0	0	0	113.5
4	R	65.5	Low	59.6	Low	252 Å²	252	161.6 Å²	161.6	95%	0.951	84%	0.844	S	S	*	*			trans	-139.6	129.6	163.5	-95.4	-174	-177.6	-177.2	1.4	110.5
5	R	57	Low	59.2	Low	231 Å²	231	159.6 Å²	159.6	87%	0.872	84%	0.835	S	S	*	*			trans	-58.9	149.9	164.8	-80.8	166.6	156.3	162.8	-7.1	111.6
6	T	70.9	Confident	59	Low	148 Å²	148	161.4 Å²	161.4	91%	0.908	83%	0.834	S	S	*	*			trans	-140.7	133.7	140.3	42.4	0	0	0	0	110.1
7	Q	60.5	Low	58.9	Low	179 Å²	179	157.8 Å²	157.8	84%	0.836	83%	0.826	S	S	*	*			trans	-85.7	155.8	178.2	-64.9	168.7	-36.8	0	0	110.7
8	S	63.7	Low	58.4	Low	105 Å²	105	156.6 Å²	156.6	73%	0.734	83%	0.826	S	S	*	*			trans	-175.8	106.2	146.5	50.3	0	0	0	0	108.1
9	E	64.5	Low	58.4	Low	177 Å²	177	153.4 Å²	153.4	83%	0.827	82%	0.818	S	S	*	*				78.7	97.1	101.9	-81.6	-178.1	150.2	0	0	112.5
10	S	53.7	Low	57.9	Low	103 Å²	103	152.2 Å²	152.2	72%	0.72	81%	0.811	S	S	*	*				82.9	112.2	87.6	69.8	0	0	0	0	113.3
11	R	57.3	Low	57.5	Low	253 Å²	253	150.4 Å²	150.4	96%	0.955	81%	0.811	S	S	*	*			trans	-161	120.7	136.4	-111.2	169.6	-171.2	-178	2.8	111.2
12	I	59.9	Low	57	Low	158 Å²	158	150.4 Å²	150.4	81%	0.81	80%	0.798	S	S	*	*			trans	-77.2	129.7	170.5	-66.1	159.1	0	0	0	107.4
13	T	64.6	Low	56.9	Low	140 Å²	140	147 Å²	147	86%	0.859	78%	0.782	S	S	*	*			trans	-144.8	127.3	146.4	49.6	0	0	0	0	109.1
14	S	55.8	Low	56.6	Low	84 Å²	84	151.1 Å²	151.1	59%	0.587	79%	0.787	S	S	*	*			trans	-80.7	170.4	-175.5	51.9	0	0	0	0	112.8
15	D	52.8	Low	55.6	Low	131 Å²	131	144 Å²	144	70%	0.701	78%	0.776	S	S	*	*			trans	71.2	112.9	152.1	-48	-46.1	0	0	0	117.4
16	K	56.5	Low	54.8	Low	189 Å²	189	139.2 Å²	139.2	82%	0.822	77%	0.767	S	S	*	*				169.4	122.2	95.4	-87.7	174.1	-171.9	170.4	0	110.3
17	S	57.9	Low	53.5	Low	99 Å²	99	139.2 Å²	139.2	69%	0.692	76%	0.762	S	S	*	*			trans	34.6	104.1	143.5	59.1	0	0	0	0	117.7	S19	S17-S19 PolarHBondContact O-N 3.11Å; S17-S19 VanDerWaalsContact O-N 3.11Å
18	V	50.1	Low	52.6	Low	136 Å²	136	140.1 Å²	140.1	82%	0.824	76%	0.757	S	S	*	*			trans	-63.4	101	153.2	178.2	0	0	0	0	107.4
19	S	57.8	Low	51.3	Low	97 Å²	97	141.8 Å²	141.8	68%	0.678	76%	0.758	S	S	*	*			trans	-109.3	106.1	162.2	56.1	0	0	0	0	107.3	S17 S21	S17-S19 PolarHBondContact O-N 3.11Å; S17-S19 VanDerWaalsContact O-N 3.11Å; S19-S21 PolarHBondContact O-N 2.96Å
20	D	48.3	Very low	50	Low	129 Å²	129	140.1 Å²	140.1	69%	0.69	75%	0.753	S	S	*	*			trans	-57.3	98.5	172.6	-67.6	-43.8	0	0	0	109.8	W22	D20-W22 PolarHBondContact O-N 3.25Å
21	S	49.2	Very low	49.4	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	75%	0.75	S	S	*	*			trans	-88.1	81.7	171.4	-179.1	0	0	0	0	108.8	S19 G23	S19-S21 PolarHBondContact O-N 2.96Å; S21-G23 PolarHBondContact O-N 2.97Å
22	W	49.3	Very low	48.5	Very low	242 Å²	242	136.7 Å²	136.7	92%	0.917	74%	0.744	S	S	*	*			trans	-68.2	81.7	158.2	-72.3	85.5	0	0	0	108.3	D20	D20-W22 PolarHBondContact O-N 3.25Å
23	G	52.1	Low	47.5	Very low	49 Å²	49	136.6 Å²	136.6	51%	0.505	74%	0.741	S	S	.	*			trans	-110.3	119.1	178.1	0	0	0	0	0	110.7	S21	S21-G23 PolarHBondContact O-N 2.97Å
24	D	42.4	Very low	46.4	Very low	156 Å²	156	136.8 Å²	136.8	83%	0.834	73%	0.731	S	S	*	*			trans	72.5	70.6	153.4	-60.9	-20	0	0	0	118.4
25	S	43.4	Very low	45.7	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	74%	0.74	S	S	*	*			trans	-122.8	91.1	142.1	-160	0	0	0	0	109	D27	S25-D27 PolarHBondContact O-N 2.92Å
26	L	41	Very low	45.3	Very low	130 Å²	130	142.4 Å²	142.4	68%	0.681	74%	0.735	S	S	*	*			trans	-70.1	71	168.9	-80.7	159.5	0	0	0	109.8	R28	L26-R28 HydrophobicContact CD2-CG 4.42Å; L26-R28 PolarHBondContact O-N 3.43Å
27	D	41.9	Very low	45	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	73%	0.729	S	S	*	*			trans	-91.1	85.7	158.1	-87.3	-32.2	0	0	0	107.8	S25	S25-D27 PolarHBondContact O-N 2.92Å
28	R	41.5	Very low	44.8	Very low	198 Å²	198	137.1 Å²	137.1	75%	0.747	72%	0.718	S	S	*	*			trans	-70.6	135.8	171.5	-75	-176.9	175.6	-178.8	-2.4	110.2	L26	L26-R28 HydrophobicContact CD2-CG 4.42Å; L26-R28 PolarHBondContact O-N 3.43Å
29	D	37.2	Very low	44.8	Very low	140 Å²	140	135 Å²	135	75%	0.749	70%	0.701	S	S	*	*			trans	72.3	72.3	155	-52.7	-27.4	0	0	0	117.2	S31	D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 VanDerWaalsContact O-N 3.09Å
30	I	38	Very low	44.6	Very low	142 Å²	142	139.1 Å²	139.1	73%	0.728	71%	0.707	S	S	*	*			trans	-70.8	82.6	145.9	-52.6	175.4	0	0	0	107.7	F32	I30-F32 HydrophobicContact CG2-CD2 3.22Å; I30-F32 HydrophobicContact CG2-CE2 3.37Å; I30-F32 HydrophobicContact CG2-CG 4.3Å; I30-F32 PolarHBondContact O-N 3Å; I30-F32 VanDerWaalsContact O-N 3.15Å
31	S	39.7	Very low	44.9	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	69%	0.688	S	S	*	*			trans	-77.8	92.3	161.1	41.3	0	0	0	0	108.9	D29 E33	D29-S31 PolarHBondContact O-N 2.95Å; D29-S31 VanDerWaalsContact O-N 3.09Å; S31-E33 PolarHBondContact O-N 3.09Å
32	F	40	Very low	45.1	Very low	189 Å²	189	137.5 Å²	137.5	83%	0.829	69%	0.687	S	S	*	*			trans	-69.9	68.2	156.8	-89.3	-84.2	0	0	0	108.9	I30	I30-F32 HydrophobicContact CG2-CD2 3.22Å; I30-F32 HydrophobicContact CG2-CE2 3.37Å; I30-F32 HydrophobicContact CG2-CG 4.3Å; I30-F32 PolarHBondContact O-N 3Å; I30-F32 VanDerWaalsContact O-N 3.15Å
33	E	37.8	Very low	45.7	Very low	156 Å²	156	129.2 Å²	129.2	73%	0.729	68%	0.677	S	S	*	*			trans	-104.9	101.2	169	-79.2	-175.3	160.1	0	0	109.3	S31	S31-E33 PolarHBondContact O-N 3.09Å
34	H	42.1	Very low	46.5	Very low	144 Å²	144	130 Å²	130	67%	0.667	67%	0.669	S	S	*	*			trans	52	75.4	148.5	-55.2	77.9	0	0	0	115.1	H36	H34-H36 PolarHBondContact O-CD2 2.58Å; H34-H36 PolarHBondContact O-N 3.33Å
35	R	40.1	Very low	48.6	Very low	202 Å²	202	125 Å²	125	76%	0.762	64%	0.641	S	S	*	*			trans	-65.4	85.1	153.2	-67.5	-169.1	-161.1	-177.7	7.8	107.7
36	H	45.3	Very low	50.9	Low	132 Å²	132	122.6 Å²	122.6	61%	0.611	62%	0.622	S	S	*	*			trans	-49	138.4	158.8	-70.4	-77.4	0	0	0	107.1	H34	H34-H36 PolarHBondContact O-CD2 2.58Å; H34-H36 PolarHBondContact O-N 3.33Å
37	P	51.2	Low	53.3	Low	105 Å²	105	117.6 Å²	117.6	68%	0.682	60%	0.595	S	S	*	*			trans	-48	142.3	166.8	23.2	-32.3	0	0	0	107.3	I39	P37-I39 PolarHBondContact O-N 3.25Å
38	P	51.8	Low	55.9	Low	71 Å²	71	111.2 Å²	111.2	46%	0.461	56%	0.561	S	S	.	*			trans	-44.7	118.7	177.8	19.3	-31.6	0	0	0	106.1	K40	P38-K40 VanDerWaalsContact C-N 3.3Å; P38-K40 PolarHBondContact O-N 3.06Å
39	I	51.7	Low	58.5	Low	92 Å²	92	106.8 Å²	106.8	47%	0.472	55%	0.549	S	S	.	.			trans	-48.5	111.2	175.4	-65.3	169.6	0	0	0	102.2	P37 D41	P37-I39 PolarHBondContact O-N 3.25Å; I39-D41 PolarHBondContact O-N 2.88Å
40	K	52.8	Low	61.3	Low	184 Å²	184	100.7 Å²	100.7	80%	0.8	52%	0.517	S	S	*	.			trans	-55.7	106.4	173.2	-72.9	-179.1	177.4	-177.8	0	102	P38 I42	P38-K40 VanDerWaalsContact C-N 3.3Å; P38-K40 PolarHBondContact O-N 3.06Å; K40-I42 VanDerWaalsContact C-N 3.28Å; K40-I42 WeakPolarHBondContact O-CA 3.41Å; K40-I42 WeakPolarHBondContact O-CG1 3.3Å; K40-I42 PolarHBondContact O-N 3.05Å
41	D	55.1	Low	64.1	Low	57 Å²	57	95.9 Å²	95.9	31%	0.305	49%	0.493	S	S	.	.			trans	-52	106	178.5	-82.4	-28.2	0	0	0	104.6	I39 G43 N44 R96	I39-D41 PolarHBondContact O-N 2.88Å; D41-G43 PolarHBondContact O-N 3.33Å; D41-N44 HydrophobicContact CB-CB 4.07Å; D41-N44 PolarHBondContact O-N 2.99Å; D41-R96 IonicContact OD2-CZ 3.34Å; D41-R96 IonicContact OD2-NH1 3.94Å; D41-R96 PolarHBondContact OD2-NH1 2.95Å; D41-R96 IonicContact OD2-NH2 2.88Å
42	I	53.7	Low	66.8	Low	153 Å²	153	91.4 Å²	91.4	79%	0.785	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	81	-168	-55.3	177.7	0	0	0	104.4	K40	K40-I42 VanDerWaalsContact C-N 3.28Å; K40-I42 WeakPolarHBondContact O-CA 3.41Å; K40-I42 WeakPolarHBondContact O-CG1 3.3Å; K40-I42 PolarHBondContact O-N 3.05Å
43	G	61.6	Low	69.5	Low	68 Å²	68	84.4 Å²	84.4	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.1	-30.4	-171.8	0	0	0	0	0	114.6	D41	D41-G43 PolarHBondContact O-N 3.33Å
44	N	69.2	Low	72.2	Confident	64 Å²	64	77.2 Å²	77.2	34%	0.342	40%	0.396	S	S	.	.			trans	-96.6	115.1	-173.5	-68.5	-0.1	0	0	0	111.2	D41 V46 F91	D41-N44 HydrophobicContact CB-CB 4.07Å; D41-N44 PolarHBondContact O-N 2.99Å; N44-V46 PolarHBondContact O-N 2.68Å; N44-F91 HydrophobicContact CB-CD1 3.77Å; N44-F91 HydrophobicContact CB-CE1 4.09Å
45	H	84.7	Confident	74.7	Confident	51 Å²	51	70.4 Å²	70.4	24%	0.236	37%	0.365	C	S	.	.			trans	-71.5	116.6	-179.1	-178.7	-78.8	0	0	0	110.7	F47 I179	H45-F47 HydrophobicContact CB-CE2 4.36Å; H45-F47 AromaticContact CE1-CD1 3.93Å; H45-F47 AromaticContact ND1-CD1 3.82Å; H45-F47 AromaticContact ND1-CD2 3.6Å; H45-F47 AromaticContact ND1-CE1 3.82Å; H45-F47 AromaticContact ND1-CE2 3.58Å; H45-F47 AromaticContact ND1-CG 3.72Å; H45-F47 AromaticContact ND1-CZ 3.71Å; H45-F47 VanDerWaalsContact O-CD2 3.29Å; H45-F47 WeakPolarHBondContact O-CD2 3.49Å; H45-F47 PolarHBondContact O-N 3.12Å; H45-I179 VanDerWaalsContact NE2-CD1 3.33Å; H45-I179 WeakPolarHBondContact NE2-CD1 3.34Å; H45-I179 WeakPolarHBondContact NE2-CG1 2.86Å
46	V	91.7	Very high	77.4	Confident	53 Å²	53	63.8 Å²	63.8	32%	0.321	34%	0.341	S	S	.	.			trans	-79.1	114.5	172.4	-178.6	0	0	0	0	109	N44 L48 E49 Y89 F91	N44-V46 PolarHBondContact O-N 2.68Å; V46-L48 WeakPolarHBondContact CG1-O 3.2Å; V46-E49 HydrophobicContact CG1-CB 4.46Å; V46-Y89 HydrophobicContact CG1-CD1 4.33Å; V46-F91 HydrophobicContact CG2-CD1 4.06Å; V46-F91 HydrophobicContact CG2-CE1 3.46Å; V46-F91 VanDerWaalsContact CG2-CE1 3.46Å; V46-F91 HydrophobicContact CG2-CZ 3.95Å
47	F	92.9	Very high	79.8	Confident	26 Å²	26	60.1 Å²	60.1	11%	0.114	32%	0.324	C	S	.	.			trans	-82.4	-32.7	178.2	-71.1	-94.5	0	0	0	112.9	H45 M90 D92 L161 L173 Q175	H45-F47 HydrophobicContact CB-CE2 4.36Å; H45-F47 AromaticContact CE1-CD1 3.93Å; H45-F47 AromaticContact ND1-CD1 3.82Å; H45-F47 AromaticContact ND1-CD2 3.6Å; H45-F47 AromaticContact ND1-CE1 3.82Å; H45-F47 AromaticContact ND1-CE2 3.58Å; H45-F47 AromaticContact ND1-CG 3.72Å; H45-F47 AromaticContact ND1-CZ 3.71Å; H45-F47 VanDerWaalsContact O-CD2 3.29Å; H45-F47 WeakPolarHBondContact O-CD2 3.49Å; H45-F47 PolarHBondContact O-N 3.12Å; F47-M90 PolarHBondContact N-O 2.88Å; F47-D92 HydrophobicContact CE2-CB 4.01Å; F47-L161 HydrophobicContact CB-CD1 4.23Å; F47-L161 HydrophobicContact CB-CD2 4.37Å; F47-L173 HydrophobicContact CB-CD1 3.98Å; F47-L173 HydrophobicContact CD1-CB 4.43Å; F47-L173 HydrophobicContact CD1-CD1 4.21Å; F47-L173 HydrophobicContact CD2-CB 4.15Å; F47-L173 HydrophobicContact CD2-CD1 3.63Å; F47-L173 HydrophobicContact CE1-CB 4.06Å; F47-L173 HydrophobicContact CE2-CB 3.78Å; F47-L173 HydrophobicContact CE2-CD1 4.13Å; F47-L173 HydrophobicContact CG-CB 4.46Å; F47-L173 HydrophobicContact CG-CD1 3.67Å; F47-L173 HydrophobicContact CZ-CB 3.71Å; F47-Q175 HydrophobicContact CZ-CG 4.43Å
48	L	95.2	Very high	82	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138.5	178.4	-179.8	67	0	0	0	110.5	V46 Y89 M90 R157 I158 L161	V46-L48 WeakPolarHBondContact CG1-O 3.2Å; L48-Y89 WeakPolarHBondContact O-CA 3.44Å; L48-M90 HydrophobicContact CB-CB 4.1Å; L48-M90 HydrophobicContact CB-CG 4.21Å; L48-M90 HydrophobicContact CB-SD 4.26Å; L48-M90 HydrophobicContact CD2-SD 3.8Å; L48-M90 PolarHBondContact O-N 2.77Å; L48-R157 HydrophobicContact CD1-CB 4.46Å; L48-R157 HydrophobicContact CD2-CB 3.92Å; L48-I158 HydrophobicContact CD2-CG1 3.69Å; L48-L161 HydrophobicContact CB-CD1 3.59Å; L48-L161 HydrophobicContact CD2-CD1 4.07Å; L48-L161 HydrophobicContact CG-CD1 4.45Å
49	E	96.3	Very high	84.1	Confident	105 Å²	105	59.4 Å²	59.4	49%	0.491	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.6	168.4	-178.1	-176.2	151.5	0	0	108.2	V46 K87 L88 Y89	V46-E49 HydrophobicContact CG1-CB 4.46Å; E49-K87 HydrophobicContact CG-CD 3.87Å; E49-K87 HydrophobicContact CG-CG 4.04Å; E49-K87 VanDerWaalsContact OE1-CD 3.31Å; E49-K87 WeakPolarHBondContact OE1-CD 3.15Å; E49-K87 WeakPolarHBondContact OE1-CE 3.42Å; E49-K87 IonicContact OE1-NZ 3.92Å; E49-K87 PolarHBondContact OE1-NZ 3.43Å; E49-L88 WeakPolarHBondContact CA-O 3.31Å; E49-Y89 HydrophobicContact CB-CD1 4.27Å; E49-Y89 HydrophobicContact CG-CD1 3.89Å; E49-Y89 HydrophobicContact CG-CE1 3.76Å
50	C	97	Very high	86.2	Confident	12 Å²	12	55.6 Å²	55.6	8%	0.081	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.2	176.5	67.3	0	0	0	0	113.4	L88 D154	C50-L88 PolarHBondContact N-O 3.15Å; C50-L88 PolarHBondContact O-N 2.98Å; C50-D154 HydrophobicContact CB-CB 4.33Å
51	D	96.5	Very high	88.2	Confident	41 Å²	41	54.6 Å²	54.6	22%	0.219	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.3	172.2	-80.8	-44.6	0	0	0	111	H85 K150	D51-H85 VanDerWaalsContact CG-NE2 3.31Å; D51-H85 IonicContact OD1-CD2 3.92Å; D51-H85 IonicContact OD1-CE1 3.56Å; D51-H85 IonicContact OD1-NE2 2.82Å; D51-H85 PolarHBondContact OD1-NE2 3.01Å; D51-H85 IonicContact OD2-NE2 3.32Å; D51-K150 HydrophobicContact CB-CD 4.03Å; D51-K150 HydrophobicContact CB-CG 4.29Å; D51-K150 WeakPolarHBondContact OD2-CE 3.41Å; D51-K150 IonicContact OD2-NZ 2.68Å; D51-K150 PolarHBondContact OD2-NZ 2.82Å
52	I	96.7	Very high	89.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.6	177.9	-159.6	160.3	0	0	0	111.7	C86 L88 F97 F147 I158	I52-C86 HydrophobicContact CG2-CB 4.01Å; I52-C86 PolarHBondContact N-O 3.38Å; I52-C86 PolarHBondContact O-N 3.17Å; I52-L88 HydrophobicContact CB-CB 4.21Å; I52-L88 HydrophobicContact CD1-CD2 3.95Å; I52-L88 HydrophobicContact CG2-CB 3.81Å; I52-F97 HydrophobicContact CD1-CE1 4.37Å; I52-F97 HydrophobicContact CG2-CD1 4.1Å; I52-F97 HydrophobicContact CG2-CE1 4.38Å; I52-F147 HydrophobicContact CD1-CB 3.74Å; I52-F147 HydrophobicContact CD1-CD1 3.9Å; I52-F147 HydrophobicContact CD1-CG 3.96Å; I52-F147 HydrophobicContact CG1-CB 3.92Å; I52-F147 HydrophobicContact CG1-CD1 4.16Å; I52-F147 HydrophobicContact CG1-CG 4.4Å; I52-I158 HydrophobicContact CD1-CD1 4.39Å
53	Y	95.9	Very high	91.6	Very high	41 Å²	41	58.2 Å²	58.2	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.1	176.7	-63	-85.9	0	0	0	109.2	N83 T84 H85 F147 R148 K150	Y53-N83 HydrophobicContact CD1-CB 4.41Å; Y53-T84 CarbonylContact C-O 3.55Å; Y53-T84 WeakPolarHBondContact CA-O 3.5Å; Y53-H85 HydrophobicContact CD1-CB 3.91Å; Y53-H85 HydrophobicContact CE1-CB 3.7Å; Y53-H85 AromaticContact CE1-CD2 3.85Å; Y53-H85 AromaticContact CE1-CG 3.63Å; Y53-F147 CarbonylContact O-C 3.44Å; Y53-F147 WeakPolarHBondContact O-CA 3.23Å; Y53-R148 WeakPolarHBondContact CB-O 3.37Å; Y53-R148 WeakPolarHBondContact CD2-O 3.31Å; Y53-R148 PolarHBondContact N-O 2.79Å; Y53-R148 PolarHBondContact O-N 3.18Å; Y53-K150 HydrophobicContact CE2-CG 3.8Å; Y53-K150 WeakPolarHBondContact OH-CE 3.42Å
54	I	95	Very high	93.1	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.2	175.9	-57.6	-177	0	0	0	108.6	N83 T84 C86 A107 F108 F147	I54-N83 VanDerWaalsContact O-CA 3.31Å; I54-N83 WeakPolarHBondContact O-CA 3.35Å; I54-N83 WeakPolarHBondContact O-CB 3.49Å; I54-T84 PolarHBondContact N-O 3.38Å; I54-T84 PolarHBondContact O-N 2.9Å; I54-T84 VanDerWaalsContact O-N 3.1Å; I54-C86 VanDerWaalsContact CD1-SG 3.54Å; I54-A107 HydrophobicContact CD1-CB 3.6Å; I54-F108 HydrophobicContact CG2-CD2 4Å; I54-F108 HydrophobicContact CG2-CE1 3.91Å; I54-F108 HydrophobicContact CG2-CE2 3.21Å; I54-F108 HydrophobicContact CG2-CZ 3.12Å; I54-F147 HydrophobicContact CG1-CD1 4.16Å; I54-F147 HydrophobicContact CG1-CE1 4.11Å
55	L	95.5	Very high	94.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-64.9	-178.2	-54.8	179.1	0	0	0	111.1	L75 Y79 N83 F146 R148	L55-L75 HydrophobicContact CD1-CD1 4.29Å; L55-Y79 HydrophobicContact CD1-CD2 4.15Å; L55-N83 HydrophobicContact CD2-CB 3.99Å; L55-F146 HydrophobicContact CB-CB 3.98Å; L55-F146 WeakPolarHBondContact CB-O 3.41Å; L55-F146 HydrophobicContact CD1-CB 4.23Å; L55-F146 PolarHBondContact N-O 2.77Å; L55-R148 HydrophobicContact CD1-CB 4.18Å; L55-R148 HydrophobicContact CD2-CB 4.18Å; L55-R148 HydrophobicContact CG-CB 4.33Å
56	K	95.9	Very high	94.7	Very high	63 Å²	63	60.8 Å²	60.8	27%	0.274	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.1	-174.2	-170.1	61.4	178.9	169.9	0	111.6	I58 Y78 F146	K56-I58 HydrophobicContact CG-CD1 4.17Å; K56-I58 HydrophobicContact CG-CG1 3.82Å; K56-Y78 HydrophobicContact CB-CD2 4.37Å; K56-Y78 HydrophobicContact CB-CG 4.13Å; K56-Y78 HydrophobicContact CG-CD1 4.29Å; K56-Y78 HydrophobicContact CG-CD2 4.07Å; K56-Y78 HydrophobicContact CG-CE2 4.35Å; K56-Y78 HydrophobicContact CG-CG 4.05Å; K56-F146 HydrophobicContact CB-CD2 4.45Å; K56-F146 WeakPolarHBondContact O-CD2 3.49Å; K56-F146 PolarHBondContact O-N 3.39Å
57	Q	95.8	Very high	94.8	Very high	54 Å²	54	61.1 Å²	61.1	25%	0.252	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.3	164.6	-177.5	177.8	51.8	0	0	108.5	F108 H109 T143 Y144 E145	Q57-F108 HydrophobicContact CB-CD1 3.47Å; Q57-F108 VanDerWaalsContact CB-CD1 3.47Å; Q57-F108 HydrophobicContact CB-CD2 3.78Å; Q57-F108 HydrophobicContact CB-CE1 3.41Å; Q57-F108 VanDerWaalsContact CB-CE1 3.41Å; Q57-F108 HydrophobicContact CB-CE2 3.68Å; Q57-F108 HydrophobicContact CB-CG 3.68Å; Q57-F108 HydrophobicContact CB-CZ 3.53Å; Q57-F108 HydrophobicContact CG-CD1 4.34Å; Q57-F108 HydrophobicContact CG-CD2 4.43Å; Q57-F108 HydrophobicContact CG-CG 4.24Å; Q57-H109 PolarHBondContact NE2-NE2 3.34Å; Q57-T143 HydrophobicContact CG-CG2 4.26Å; Q57-T143 PolarHBondContact NE2-OG1 2.93Å; Q57-Y144 CarbonylContact C-O 3.55Å; Q57-Y144 VanDerWaalsContact CA-O 3.26Å; Q57-Y144 WeakPolarHBondContact CA-O 3.27Å; Q57-E145 HydrophobicContact CB-CG 4.3Å; Q57-E145 HydrophobicContact CG-CG 3.92Å; Q57-E145 PolarHBondContact NE2-OE1 3.14Å
58	I	96.4	Very high	94.8	Very high	33 Å²	33	65.2 Å²	65.2	17%	0.169	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.2	-177.7	-54.1	-177.2	0	0	0	107.5	K56 L74 Y78 T143 Y144 F146	K56-I58 HydrophobicContact CG-CD1 4.17Å; K56-I58 HydrophobicContact CG-CG1 3.82Å; I58-L74 HydrophobicContact CD1-CB 4.13Å; I58-L74 HydrophobicContact CD1-CD1 3.99Å; I58-L74 HydrophobicContact CD1-CD2 3.75Å; I58-L74 HydrophobicContact CD1-CG 4.16Å; I58-Y78 HydrophobicContact CD1-CD2 3.85Å; I58-Y78 HydrophobicContact CD1-CE2 3.46Å; I58-Y78 VanDerWaalsContact CD1-CE2 3.46Å; I58-T143 CarbonylContact O-C 3.57Å; I58-T143 VanDerWaalsContact O-CA 3.24Å; I58-T143 WeakPolarHBondContact O-CA 3.5Å; I58-Y144 PolarHBondContact N-O 3.38Å; I58-Y144 PolarHBondContact O-N 3.26Å; I58-F146 HydrophobicContact CD1-CE2 3.93Å; I58-F146 HydrophobicContact CG1-CE2 4.35Å
59	E	96.3	Very high	94.8	Very high	128 Å²	128	71 Å²	71	60%	0.598	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.5	173.7	-170.5	171.9	-169.5	0	0	110.1	T143	E59-T143 HydrophobicContact CB-CG2 4.49Å
60	L	95.4	Very high	94.8	Very high	12 Å²	12	71.2 Å²	71.2	6%	0.063	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-88.2	154.3	177	-79.5	77.6	0	0	0	110.2	E64 F66 R142 Y144	L60-E64 HydrophobicContact CB-CB 4.24Å; L60-E64 HydrophobicContact CD2-CB 4.26Å; L60-E64 HydrophobicContact CD2-CG 4.08Å; L60-E64 HydrophobicContact CG-CG 4.34Å; L60-F66 HydrophobicContact CD1-CE1 3.98Å; L60-F66 HydrophobicContact CD2-CD1 3.5Å; L60-F66 HydrophobicContact CD2-CE1 3.42Å; L60-F66 VanDerWaalsContact CD2-CE1 3.42Å; L60-F66 HydrophobicContact CD2-CZ 4.43Å; L60-F66 HydrophobicContact CG-CE1 4.36Å; L60-R142 HydrophobicContact CB-CB 4.23Å; L60-R142 PolarHBondContact N-O 3.15Å; L60-Y144 HydrophobicContact CD1-CD1 4.21Å; L60-Y144 HydrophobicContact CD1-CD2 3.36Å; L60-Y144 HydrophobicContact CD1-CE1 4.39Å; L60-Y144 HydrophobicContact CD1-CE2 3.54Å; L60-Y144 HydrophobicContact CD1-CG 3.72Å; L60-Y144 HydrophobicContact CD2-CD2 4.45Å; L60-Y144 HydrophobicContact CD2-CE1 4.36Å; L60-Y144 HydrophobicContact CD2-CE2 3.76Å; L60-Y144 HydrophobicContact CG-CD2 3.99Å; L60-Y144 HydrophobicContact CG-CE2 3.65Å
61	K	94.6	Very high	94.8	Very high	164 Å²	164	70.6 Å²	70.6	71%	0.713	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-67.4	156.6	167.4	-59.3	-179.7	-179	-179.4	0	110.5	D63 E64 R142	K61-D63 PolarHBondContact O-N 3.06Å; K61-E64 HydrophobicContact CB-CB 4.08Å; K61-E64 PolarHBondContact N-OE2 2.69Å; K61-E64 PolarHBondContact O-N 3.18Å; K61-R142 PolarHBondContact O-NH2 3.27Å
62	K	89.8	Confident	94.8	Very high	140 Å²	140	70.9 Å²	70.9	61%	0.609	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.5	-176.2	-169.2	175.3	-177.8	174.2	0	114.4	D140 R142	K62-D140 VanDerWaalsContact CE-OD2 3.27Å; K62-D140 WeakPolarHBondContact CE-OD2 3.25Å; K62-D140 IonicContact NZ-OD2 3.89Å; K62-R142 VanDerWaalsContact C-NH2 3.25Å; K62-R142 PolarHBondContact O-NH2 2.86Å
63	D	91.1	Very high	94.8	Very high	145 Å²	145	73.4 Å²	73.4	78%	0.775	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	8.4	-178.2	-49.9	-54.7	0	0	0	113.2	K61 E65	K61-D63 PolarHBondContact O-N 3.06Å; D63-E65 PolarHBondContact O-N 2.84Å
64	E	93.7	Very high	94.9	Very high	49 Å²	49	72 Å²	72	23%	0.229	34%	0.344	C	S	.	.			trans	-74.9	125	178.9	-177	174.4	177.2	0	0	110.7	L60 K61 R70 R142	L60-E64 HydrophobicContact CB-CB 4.24Å; L60-E64 HydrophobicContact CD2-CB 4.26Å; L60-E64 HydrophobicContact CD2-CG 4.08Å; L60-E64 HydrophobicContact CG-CG 4.34Å; K61-E64 HydrophobicContact CB-CB 4.08Å; K61-E64 PolarHBondContact N-OE2 2.69Å; K61-E64 PolarHBondContact O-N 3.18Å; E64-R70 IonicContact OE1-NE 3.62Å; E64-R142 VanDerWaalsContact N-NH2 3.17Å; E64-R142 PolarHBondContact O-NH1 3.21Å; E64-R142 PolarHBondContact O-NH2 3.44Å
65	E	93.1	Very high	95	Very high	148 Å²	148	71.8 Å²	71.8	69%	0.692	34%	0.343	S	S	*	.			trans	-80.2	153.4	179.3	-67.1	-177.8	173.3	0	0	112.6	D63 T67 Y144	D63-E65 PolarHBondContact O-N 2.84Å; E65-T67 VanDerWaalsContact C-N 3.33Å; E65-T67 HydrophobicContact CB-CG2 4.17Å; E65-T67 PolarHBondContact O-N 3.23Å; E65-Y144 PolarHBondContact O-OH 3.23Å
66	F	93.1	Very high	95	Very high	41 Å²	41	75.5 Å²	75.5	18%	0.18	36%	0.363	C	S	.	.			trans	-74.6	80.8	173.4	-67.5	-49	0	0	0	111.7	L60 K118 R119 C133 R142 Y144	L60-F66 HydrophobicContact CD1-CE1 3.98Å; L60-F66 HydrophobicContact CD2-CD1 3.5Å; L60-F66 HydrophobicContact CD2-CE1 3.42Å; L60-F66 VanDerWaalsContact CD2-CE1 3.42Å; L60-F66 HydrophobicContact CD2-CZ 4.43Å; L60-F66 HydrophobicContact CG-CE1 4.36Å; F66-K118 HydrophobicContact CE2-CB 4.08Å; F66-K118 HydrophobicContact CE2-CG 4.43Å; F66-R119 PolarHBondContact O-NH1 2.87Å; F66-C133 HydrophobicContact CD1-CB 3.67Å; F66-C133 VanDerWaalsContact CD1-SG 3.56Å; F66-C133 HydrophobicContact CD2-CB 3.93Å; F66-C133 HydrophobicContact CE1-CB 3.55Å; F66-C133 HydrophobicContact CE2-CB 3.84Å; F66-C133 HydrophobicContact CG-CB 3.84Å; F66-C133 HydrophobicContact CZ-CB 3.65Å; F66-R142 HydrophobicContact CE1-CB 4.37Å; F66-R142 HydrophobicContact CZ-CB 3.93Å; F66-R142 HydrophobicContact CZ-CG 4.36Å; F66-Y144 WeakPolarHBondContact CA-OH 3.41Å; F66-Y144 HydrophobicContact CD1-CD1 4.1Å; F66-Y144 AromaticContact CD1-CE1 3.36Å; F66-Y144 HydrophobicContact CD1-CE1 3.36Å; F66-Y144 AromaticContact CD1-CZ 3.79Å; F66-Y144 HydrophobicContact CE1-CD1 4.29Å; F66-Y144 AromaticContact CE1-CE1 3.98Å; F66-Y144 HydrophobicContact CE1-CE1 3.98Å; F66-Y144 HydrophobicContact CG-CE1 4.36Å
67	T	94.1	Very high	95.1	Very high	60 Å²	60	79.5 Å²	79.5	37%	0.368	38%	0.381	S	S	.	.			trans	-94.7	139.1	-178.2	59.7	0	0	0	0	112.7	E65 D69 R70 I71 Y144	E65-T67 VanDerWaalsContact C-N 3.33Å; E65-T67 HydrophobicContact CB-CG2 4.17Å; E65-T67 PolarHBondContact O-N 3.23Å; T67-D69 PolarHBondContact O-N 3.13Å; T67-R70 PolarHBondContact O-N 3.29Å; T67-R70 WeakPolarHBondContact OG1-CB 3.27Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.31Å; T67-I71 PolarHBondContact O-N 3.49Å; T67-I71 VanDerWaalsContact O-N 3.17Å; T67-Y144 PolarHBondContact N-OH 3.03Å
68	R	93.2	Very high	95.1	Very high	112 Å²	112	79.7 Å²	79.7	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-42	-177.9	-173.2	178.7	-174.4	171	3	112.3	R70 I71 Q72	R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.03Å; R68-I71 PolarHBondContact O-N 3.37Å; R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 PolarHBondContact O-N 2.89Å
69	D	95.9	Very high	95.1	Very high	135 Å²	135	79.8 Å²	79.8	72%	0.722	38%	0.378	S	S	*	.	H	α-helix	trans	-64.1	-38.6	-178.1	-60.5	-23.1	0	0	0	111.4	T67 Q72 A73	T67-D69 PolarHBondContact O-N 3.13Å; D69-Q72 PolarHBondContact O-N 3.47Å; D69-A73 WeakPolarHBondContact O-CB 3.25Å; D69-A73 PolarHBondContact O-N 2.83Å
70	R	96	Very high	95	Very high	110 Å²	110	79.3 Å²	79.3	42%	0.415	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-47.3	175.3	-176.8	56.6	170.2	169.4	1.9	111.5	E64 T67 R68 Q72 A73 L74 Y144	E64-R70 IonicContact OE1-NE 3.62Å; T67-R70 PolarHBondContact O-N 3.29Å; T67-R70 WeakPolarHBondContact OG1-CB 3.27Å; R68-R70 VanDerWaalsContact C-N 3.3Å; R68-R70 PolarHBondContact O-N 3.03Å; R70-Q72 VanDerWaalsContact C-N 3.32Å; R70-Q72 PolarHBondContact O-N 3.1Å; R70-A73 PolarHBondContact O-N 3.34Å; R70-L74 HydrophobicContact CG-CD1 3.9Å; R70-L74 WeakPolarHBondContact O-CB 3.47Å; R70-L74 VanDerWaalsContact O-CG 3.23Å; R70-L74 WeakPolarHBondContact O-CG 3.21Å; R70-L74 PolarHBondContact O-N 2.63Å; R70-Y144 HydrophobicContact CG-CE2 4.11Å
71	I	96.6	Very high	94.8	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.1	-45.7	177.2	-63.5	167.8	0	0	0	110.2	T67 R68 L74 L75 F123 A131 Y144 F146	T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.31Å; T67-I71 PolarHBondContact O-N 3.49Å; T67-I71 VanDerWaalsContact O-N 3.17Å; R68-I71 PolarHBondContact O-N 3.37Å; I71-L74 PolarHBondContact O-N 2.92Å; I71-L75 WeakPolarHBondContact O-CB 3.33Å; I71-L75 PolarHBondContact O-N 3.06Å; I71-F123 HydrophobicContact CG2-CE1 3.86Å; I71-F123 HydrophobicContact CG2-CZ 3.47Å; I71-F123 VanDerWaalsContact CG2-CZ 3.47Å; I71-A131 HydrophobicContact CG2-CB 3.52Å; I71-Y144 HydrophobicContact CD1-CD1 4.2Å; I71-Y144 HydrophobicContact CD1-CE1 3.65Å; I71-Y144 HydrophobicContact CG1-CD1 3.74Å; I71-Y144 HydrophobicContact CG1-CE1 3.28Å; I71-F146 HydrophobicContact CG2-CE1 3.71Å; I71-F146 HydrophobicContact CG2-CZ 4.2Å; I71-F146 WeakPolarHBondContact O-CE1 3.49Å
72	Q	96.8	Very high	94.4	Very high	46 Å²	46	80.9 Å²	80.9	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-49.1	178.4	-178.6	62.1	59.5	0	0	111.6	R68 D69 R70 L74 L75 D76	R68-Q72 WeakPolarHBondContact O-CB 3.49Å; R68-Q72 PolarHBondContact O-N 2.89Å; D69-Q72 PolarHBondContact O-N 3.47Å; R70-Q72 VanDerWaalsContact C-N 3.32Å; R70-Q72 PolarHBondContact O-N 3.1Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 3.49Å; Q72-L75 WeakPolarHBondContact O-CB 3.44Å; Q72-L75 PolarHBondContact O-N 2.68Å; Q72-D76 VanDerWaalsContact NE2-CG 3.29Å; Q72-D76 PolarHBondContact NE2-OD1 2.95Å; Q72-D76 PolarHBondContact NE2-OD2 3.37Å; Q72-D76 PolarHBondContact O-N 3.22Å
73	A	97	Very high	94.4	Very high	54 Å²	54	76.5 Å²	76.5	45%	0.446	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-39.9	179	0	0	0	0	0	112.6	D69 R70 D76 K77	D69-A73 WeakPolarHBondContact O-CB 3.25Å; D69-A73 PolarHBondContact O-N 2.83Å; R70-A73 PolarHBondContact O-N 3.34Å; A73-D76 PolarHBondContact O-N 2.86Å; A73-K77 PolarHBondContact O-N 3.46Å; A73-K77 VanDerWaalsContact O-N 3.13Å
74	L	97.2	Very high	94.4	Very high	10 Å²	10	70 Å²	70	5%	0.052	35%	0.349	C	S	.	.	H	α-helix	trans	-70.1	-40.7	176.9	-66.3	167.4	0	0	0	111.5	I58 R70 I71 Q72 D76 K77 Y78 Y144 F146	I58-L74 HydrophobicContact CD1-CB 4.13Å; I58-L74 HydrophobicContact CD1-CD1 3.99Å; I58-L74 HydrophobicContact CD1-CD2 3.75Å; I58-L74 HydrophobicContact CD1-CG 4.16Å; R70-L74 HydrophobicContact CG-CD1 3.9Å; R70-L74 WeakPolarHBondContact O-CB 3.47Å; R70-L74 VanDerWaalsContact O-CG 3.23Å; R70-L74 WeakPolarHBondContact O-CG 3.21Å; R70-L74 PolarHBondContact O-N 2.63Å; I71-L74 PolarHBondContact O-N 2.92Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 3.49Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-D76 PolarHBondContact O-N 3.38Å; L74-K77 PolarHBondContact O-N 2.91Å; L74-Y78 HydrophobicContact CD2-CE2 4.15Å; L74-Y78 WeakPolarHBondContact O-CD2 3.41Å; L74-Y78 PolarHBondContact O-N 3.41Å; L74-Y144 HydrophobicContact CD1-CD2 3.82Å; L74-Y144 HydrophobicContact CD1-CE2 4.11Å; L74-F146 HydrophobicContact CB-CE1 4.44Å; L74-F146 HydrophobicContact CB-CE2 4.06Å; L74-F146 HydrophobicContact CB-CZ 3.63Å; L74-F146 HydrophobicContact CD1-CZ 4.38Å
75	L	97.1	Very high	94.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-46.4	173.7	179.2	67.3	0	0	0	110.5	L55 I71 Q72 K77 Y78 Y79 F123 K126 A129 F146	L55-L75 HydrophobicContact CD1-CD1 4.29Å; I71-L75 WeakPolarHBondContact O-CB 3.33Å; I71-L75 PolarHBondContact O-N 3.06Å; Q72-L75 WeakPolarHBondContact O-CB 3.44Å; Q72-L75 PolarHBondContact O-N 2.68Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 2.73Å; L75-Y78 PolarHBondContact O-N 2.91Å; L75-Y79 HydrophobicContact CD1-CD2 3.99Å; L75-Y79 WeakPolarHBondContact O-CB 3.18Å; L75-Y79 PolarHBondContact O-N 2.82Å; L75-F123 HydrophobicContact CD2-CB 4.12Å; L75-F123 HydrophobicContact CD2-CD1 3.78Å; L75-F123 HydrophobicContact CD2-CD2 3.35Å; L75-F123 HydrophobicContact CD2-CE1 3.99Å; L75-F123 HydrophobicContact CD2-CE2 3.62Å; L75-F123 HydrophobicContact CD2-CG 3.44Å; L75-F123 VanDerWaalsContact CD2-CG 3.44Å; L75-F123 HydrophobicContact CD2-CZ 3.92Å; L75-K126 HydrophobicContact CD2-CB 4.45Å; L75-K126 HydrophobicContact CD2-CD 3.95Å; L75-K126 HydrophobicContact CG-CD 4.1Å; L75-A129 HydrophobicContact CD1-CB 3.92Å; L75-A129 HydrophobicContact CD2-CB 3.91Å; L75-F146 HydrophobicContact CB-CD1 4.11Å; L75-F146 HydrophobicContact CB-CE1 3.94Å; L75-F146 HydrophobicContact CD1-CD1 3.92Å
76	D	96.9	Very high	94.5	Very high	80 Å²	80	62.3 Å²	62.3	43%	0.428	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-41	178.6	-68.3	-31.1	0	0	0	112.5	Q72 A73 L74 K126	Q72-D76 VanDerWaalsContact NE2-CG 3.29Å; Q72-D76 PolarHBondContact NE2-OD1 2.95Å; Q72-D76 PolarHBondContact NE2-OD2 3.37Å; Q72-D76 PolarHBondContact O-N 3.22Å; A73-D76 PolarHBondContact O-N 2.86Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-D76 PolarHBondContact O-N 3.38Å; D76-K126 IonicContact OD1-NZ 2.63Å; D76-K126 PolarHBondContact OD1-NZ 2.79Å
77	K	97.1	Very high	94.6	Very high	147 Å²	147	62.9 Å²	62.9	64%	0.639	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-39.3	175.9	-174.8	173.6	179.9	174.8	0	113.7	A73 L74 L75	A73-K77 PolarHBondContact O-N 3.46Å; A73-K77 VanDerWaalsContact O-N 3.13Å; L74-K77 PolarHBondContact O-N 2.91Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 2.73Å
78	Y	96.2	Very high	94.7	Very high	58 Å²	58	60 Å²	60	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-107.8	-4.7	-169.7	-62.4	-63.6	0	0	0	115.3	K56 I58 L74 L75 S80 S81	K56-Y78 HydrophobicContact CB-CD2 4.37Å; K56-Y78 HydrophobicContact CB-CG 4.13Å; K56-Y78 HydrophobicContact CG-CD1 4.29Å; K56-Y78 HydrophobicContact CG-CD2 4.07Å; K56-Y78 HydrophobicContact CG-CE2 4.35Å; K56-Y78 HydrophobicContact CG-CG 4.05Å; I58-Y78 HydrophobicContact CD1-CD2 3.85Å; I58-Y78 HydrophobicContact CD1-CE2 3.46Å; I58-Y78 VanDerWaalsContact CD1-CE2 3.46Å; L74-Y78 HydrophobicContact CD2-CE2 4.15Å; L74-Y78 WeakPolarHBondContact O-CD2 3.41Å; L74-Y78 PolarHBondContact O-N 3.41Å; L75-Y78 PolarHBondContact O-N 2.91Å; Y78-S80 VanDerWaalsContact C-N 3.3Å; Y78-S80 PolarHBondContact O-N 2.86Å; Y78-S81 VanDerWaalsContact O-CB 3.3Å; Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 2.88Å; Y78-S81 PolarHBondContact O-OG 2.83Å
79	Y	96	Very high	94.9	Very high	36 Å²	36	56.3 Å²	56.3	14%	0.141	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.4	-175.9	-171.2	-106.2	0	0	0	113.7	L55 L75 S81 K126 A129 R148	L55-Y79 HydrophobicContact CD1-CD2 4.15Å; L75-Y79 HydrophobicContact CD1-CD2 3.99Å; L75-Y79 WeakPolarHBondContact O-CB 3.18Å; L75-Y79 PolarHBondContact O-N 2.82Å; Y79-S81 VanDerWaalsContact C-N 3.33Å; Y79-K126 HydrophobicContact CD1-CD 4.02Å; Y79-K126 HydrophobicContact CD2-CD 3.63Å; Y79-K126 HydrophobicContact CD2-CG 4.36Å; Y79-K126 HydrophobicContact CE1-CD 4.23Å; Y79-K126 HydrophobicContact CE1-CG 4.3Å; Y79-K126 HydrophobicContact CE2-CB 4.15Å; Y79-K126 HydrophobicContact CE2-CD 3.88Å; Y79-K126 HydrophobicContact CE2-CG 4.1Å; Y79-K126 HydrophobicContact CG-CD 3.69Å; Y79-A129 HydrophobicContact CD2-CB 4.38Å; Y79-A129 HydrophobicContact CE2-CB 3.95Å; Y79-R148 HydrophobicContact CE2-CG 4.26Å
80	S	93.8	Very high	94.9	Very high	117 Å²	117	49.9 Å²	49.9	82%	0.818	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	2.5	-179.6	-53.5	0	0	0	0	113.6	Y78	Y78-S80 VanDerWaalsContact C-N 3.3Å; Y78-S80 PolarHBondContact O-N 2.86Å
81	S	90.5	Very high	94.8	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	23%	0.233	S	C	.	.	S	Bend	trans	-73.2	161.5	-178.3	72.2	0	0	0	0	112.3	Y78 Y79 N83	Y78-S81 VanDerWaalsContact O-CB 3.3Å; Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 2.88Å; Y78-S81 PolarHBondContact O-OG 2.83Å; Y79-S81 VanDerWaalsContact C-N 3.33Å; S81-N83 PolarHBondContact O-N 2.83Å
82	K	86.9	Confident	94.7	Very high	174 Å²	174	47 Å²	47	76%	0.757	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-56.9	123.1	176.4	-177	177.6	-178.8	176	0	109.9
83	N	89.5	Confident	94.5	Very high	48 Å²	48	47 Å²	47	26%	0.257	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-102.9	161.9	-178.8	56.4	44.2	0	0	0	112.1	Y53 I54 L55 S81 R148	Y53-N83 HydrophobicContact CD1-CB 4.41Å; I54-N83 VanDerWaalsContact O-CA 3.31Å; I54-N83 WeakPolarHBondContact O-CA 3.35Å; I54-N83 WeakPolarHBondContact O-CB 3.49Å; L55-N83 HydrophobicContact CD2-CB 3.99Å; S81-N83 PolarHBondContact O-N 2.83Å; N83-R148 PolarHBondContact ND2-NH2 3.3Å
84	T	91.7	Very high	94.4	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.8	169.6	-57.6	0	0	0	0	108.6	Y53 I54 R99 R105	Y53-T84 CarbonylContact C-O 3.55Å; Y53-T84 WeakPolarHBondContact CA-O 3.5Å; I54-T84 PolarHBondContact N-O 3.38Å; I54-T84 PolarHBondContact O-N 2.9Å; I54-T84 VanDerWaalsContact O-N 3.1Å; T84-R99 HydrophobicContact CG2-CG 3.89Å; T84-R105 VanDerWaalsContact CG2-O 3.25Å; T84-R105 WeakPolarHBondContact CG2-O 3.24Å; T84-R105 WeakPolarHBondContact OG1-CB 3.36Å; T84-R105 PolarHBondContact OG1-N 2.87Å
85	H	94.5	Very high	94.4	Very high	35 Å²	35	44 Å²	44	16%	0.162	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	177.8	-173.6	-162	0	0	0	110.1	D51 Y53 L100	D51-H85 VanDerWaalsContact CG-NE2 3.31Å; D51-H85 IonicContact OD1-CD2 3.92Å; D51-H85 IonicContact OD1-CE1 3.56Å; D51-H85 IonicContact OD1-NE2 2.82Å; D51-H85 PolarHBondContact OD1-NE2 3.01Å; D51-H85 IonicContact OD2-NE2 3.32Å; Y53-H85 HydrophobicContact CD1-CB 3.91Å; Y53-H85 HydrophobicContact CE1-CB 3.7Å; Y53-H85 AromaticContact CE1-CD2 3.85Å; Y53-H85 AromaticContact CE1-CG 3.63Å; H85-L100 VanDerWaalsContact CE1-CD1 3.44Å; H85-L100 WeakPolarHBondContact CE1-CD1 3.1Å; H85-L100 WeakPolarHBondContact NE2-CD1 3.33Å; H85-L100 PolarHBondContact O-N 2.83Å
86	C	94.6	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	162.9	178	-60.1	0	0	0	0	109.9	I52 I54 E98	I52-C86 HydrophobicContact CG2-CB 4.01Å; I52-C86 PolarHBondContact N-O 3.38Å; I52-C86 PolarHBondContact O-N 3.17Å; I54-C86 VanDerWaalsContact CD1-SG 3.54Å; C86-E98 CarbonylContact C-O 3.56Å; C86-E98 WeakPolarHBondContact CA-O 3.5Å; C86-E98 WeakPolarHBondContact CB-O 3.47Å
87	K	95.2	Very high	94.2	Very high	53 Å²	53	44.1 Å²	44.1	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.8	162	-173.2	171.8	-91.6	-170.1	0	108.3	E49 Y89 E98 L100	E49-K87 HydrophobicContact CG-CD 3.87Å; E49-K87 HydrophobicContact CG-CG 4.04Å; E49-K87 VanDerWaalsContact OE1-CD 3.31Å; E49-K87 WeakPolarHBondContact OE1-CD 3.15Å; E49-K87 WeakPolarHBondContact OE1-CE 3.42Å; E49-K87 IonicContact OE1-NZ 3.92Å; E49-K87 PolarHBondContact OE1-NZ 3.43Å; K87-Y89 HydrophobicContact CB-CE2 4.27Å; K87-Y89 HydrophobicContact CD-CE1 3.72Å; K87-Y89 HydrophobicContact CD-CE2 4.03Å; K87-Y89 WeakPolarHBondContact CD-OH 3.34Å; K87-Y89 HydrophobicContact CG-CE1 4.13Å; K87-Y89 HydrophobicContact CG-CE2 3.95Å; K87-E98 PolarHBondContact N-O 3.47Å; K87-E98 PolarHBondContact O-N 3.06Å; K87-L100 HydrophobicContact CB-CD2 4.19Å; K87-L100 HydrophobicContact CB-CG 4.36Å
88	L	96.9	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.8	174.2	170.7	64.4	0	0	0	108.7	E49 C50 I52 M90 M95 R96 F97 I158	E49-L88 WeakPolarHBondContact CA-O 3.31Å; C50-L88 PolarHBondContact N-O 3.15Å; C50-L88 PolarHBondContact O-N 2.98Å; I52-L88 HydrophobicContact CB-CB 4.21Å; I52-L88 HydrophobicContact CD1-CD2 3.95Å; I52-L88 HydrophobicContact CG2-CB 3.81Å; L88-M90 HydrophobicContact CD1-CG 4.41Å; L88-M90 HydrophobicContact CD2-CG 4.25Å; L88-M90 HydrophobicContact CD2-SD 4.47Å; L88-M90 HydrophobicContact CG-CG 4.19Å; L88-M95 HydrophobicContact CD1-CB 3.94Å; L88-M95 HydrophobicContact CD1-CE 3.68Å; L88-M95 HydrophobicContact CD1-CG 4.48Å; L88-M95 HydrophobicContact CD2-CE 3.74Å; L88-M95 HydrophobicContact CG-CE 4.37Å; L88-R96 WeakPolarHBondContact CA-O 3.34Å; L88-F97 HydrophobicContact CD1-CD1 4.11Å; L88-F97 HydrophobicContact CD1-CE1 3.81Å; L88-F97 HydrophobicContact CD1-CZ 4.06Å; L88-I158 HydrophobicContact CD2-CD1 3.61Å; L88-I158 HydrophobicContact CD2-CG1 3.85Å
89	Y	96.3	Very high	93.7	Very high	33 Å²	33	41.2 Å²	41.2	13%	0.129	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.9	167.8	-54.1	-86.9	0	0	0	109	V46 L48 E49 K87 F91 M95 R96 E98	V46-Y89 HydrophobicContact CG1-CD1 4.33Å; L48-Y89 WeakPolarHBondContact O-CA 3.44Å; E49-Y89 HydrophobicContact CB-CD1 4.27Å; E49-Y89 HydrophobicContact CG-CD1 3.89Å; E49-Y89 HydrophobicContact CG-CE1 3.76Å; K87-Y89 HydrophobicContact CB-CE2 4.27Å; K87-Y89 HydrophobicContact CD-CE1 3.72Å; K87-Y89 HydrophobicContact CD-CE2 4.03Å; K87-Y89 WeakPolarHBondContact CD-OH 3.34Å; K87-Y89 HydrophobicContact CG-CE1 4.13Å; K87-Y89 HydrophobicContact CG-CE2 3.95Å; Y89-F91 VanDerWaalsContact CB-CE2 3.48Å; Y89-F91 HydrophobicContact CG-CE2 4.41Å; Y89-M95 CarbonylContact O-C 3.52Å; Y89-M95 WeakPolarHBondContact O-CA 3.39Å; Y89-R96 PolarHBondContact N-O 3.04Å; Y89-R96 PolarHBondContact O-N 3.23Å; Y89-E98 HydrophobicContact CE2-CB 3.79Å; Y89-E98 WeakPolarHBondContact CE2-OE2 3.49Å; Y89-E98 PolarHBondContact OH-OE2 3.38Å
90	M	96	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	174.2	-61	-168.7	73.9	0	0	109	F47 L48 L88 M95 Y114 I158 L161 I162	F47-M90 PolarHBondContact N-O 2.88Å; L48-M90 HydrophobicContact CB-CB 4.1Å; L48-M90 HydrophobicContact CB-CG 4.21Å; L48-M90 HydrophobicContact CB-SD 4.26Å; L48-M90 HydrophobicContact CD2-SD 3.8Å; L48-M90 PolarHBondContact O-N 2.77Å; L88-M90 HydrophobicContact CD1-CG 4.41Å; L88-M90 HydrophobicContact CD2-CG 4.25Å; L88-M90 HydrophobicContact CD2-SD 4.47Å; L88-M90 HydrophobicContact CG-CG 4.19Å; M90-M95 HydrophobicContact CE-CE 4.38Å; M90-M95 HydrophobicContact CE-CG 4.01Å; M90-M95 HydrophobicContact CE-SD 4.16Å; M90-M95 HydrophobicContact CG-CG 4.35Å; M90-Y114 HydrophobicContact CE-CE1 3.69Å; M90-I158 HydrophobicContact CE-CG2 4.31Å; M90-I158 HydrophobicContact SD-CB 4.18Å; M90-I158 HydrophobicContact SD-CG1 3.95Å; M90-I158 HydrophobicContact SD-CG2 4.11Å; M90-L161 HydrophobicContact CB-CD1 4.26Å; M90-L161 HydrophobicContact CE-CB 3.56Å; M90-L161 HydrophobicContact CE-CD1 4.18Å; M90-L161 HydrophobicContact SD-CB 4.07Å; M90-L161 HydrophobicContact SD-CD1 3.62Å; M90-L161 HydrophobicContact SD-CG 4.48Å; M90-I162 HydrophobicContact CE-CG1 3.93Å
91	F	94.3	Very high	93.1	Very high	18 Å²	18	44 Å²	44	8%	0.079	20%	0.203	C	C	.	.			trans	-98	-176.9	177.3	-65.1	-83.2	0	0	0	110.4	N44 V46 Y89 S94 R96 Y114 L173	N44-F91 HydrophobicContact CB-CD1 3.77Å; N44-F91 HydrophobicContact CB-CE1 4.09Å; V46-F91 HydrophobicContact CG2-CD1 4.06Å; V46-F91 HydrophobicContact CG2-CE1 3.46Å; V46-F91 VanDerWaalsContact CG2-CE1 3.46Å; V46-F91 HydrophobicContact CG2-CZ 3.95Å; Y89-F91 VanDerWaalsContact CB-CE2 3.48Å; Y89-F91 HydrophobicContact CG-CE2 4.41Å; F91-S94 PolarHBondContact N-O 2.85Å; F91-R96 HydrophobicContact CD2-CB 4.36Å; F91-R96 HydrophobicContact CD2-CG 3.87Å; F91-R96 HydrophobicContact CE2-CB 3.92Å; F91-R96 HydrophobicContact CE2-CG 3.74Å; F91-Y114 VanDerWaalsContact O-CE2 3.32Å; F91-Y114 WeakPolarHBondContact O-CE2 3.04Å; F91-Y114 PolarHBondContact O-OH 2.62Å; F91-L173 VanDerWaalsContact O-CD1 3.31Å; F91-L173 WeakPolarHBondContact O-CD1 3.47Å
92	D	93.3	Very high	92.3	Very high	33 Å²	33	46 Å²	46	18%	0.176	22%	0.217	C	C	.	.	S	Bend	trans	-61.8	-40.1	179.6	63.3	-36.3	0	0	0	113	F47 Y114 R172 L173	F47-D92 HydrophobicContact CE2-CB 4.01Å; D92-Y114 WeakPolarHBondContact O-CE2 3.31Å; D92-R172 CarbonylContact O-C 3.44Å; D92-R172 WeakPolarHBondContact O-CA 3.27Å; D92-R172 IonicContact OD2-CZ 3.69Å; D92-R172 IonicContact OD2-NH1 3.78Å; D92-R172 IonicContact OD2-NH2 3.82Å; D92-L173 PolarHBondContact O-N 3.42Å
93	D	93.7	Very high	91.7	Very high	46 Å²	46	45.3 Å²	45.3	25%	0.246	22%	0.218	C	C	.	.	S	Bend	trans	-113.8	-9.3	-177.1	60.5	12.3	0	0	0	115.4	Y114 R172	D93-Y114 VanDerWaalsContact C-CE2 3.41Å; D93-Y114 VanDerWaalsContact O-CD2 3.27Å; D93-Y114 WeakPolarHBondContact O-CD2 3.42Å; D93-Y114 PolarHBondContact O-N 2.9Å; D93-Y114 VanDerWaalsContact O-N 3.15Å; D93-R172 HydrophobicContact CB-CG 3.87Å; D93-R172 IonicContact OD2-CZ 3.83Å; D93-R172 IonicContact OD2-NH2 2.88Å; D93-R172 PolarHBondContact OD2-NH2 2.82Å
94	S	95.6	Very high	90.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.3	-167.3	57.8	0	0	0	0	114.5	F91 E111 L112 Y114	F91-S94 PolarHBondContact N-O 2.85Å; S94-E111 PolarHBondContact OG-OE1 3.35Å; S94-L112 CarbonylContact C-O 3.03Å; S94-L112 WeakPolarHBondContact CA-O 3.33Å; S94-Y114 VanDerWaalsContact N-CE2 3.29Å; S94-Y114 PolarHBondContact O-OH 2.83Å
95	M	96.3	Very high	89.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.5	169.7	-63.4	176	68.1	0	0	108.8	L88 Y89 M90 F97 E111 L112 Y114 I117 L132 I158 I162	L88-M95 HydrophobicContact CD1-CB 3.94Å; L88-M95 HydrophobicContact CD1-CE 3.68Å; L88-M95 HydrophobicContact CD1-CG 4.48Å; L88-M95 HydrophobicContact CD2-CE 3.74Å; L88-M95 HydrophobicContact CG-CE 4.37Å; Y89-M95 CarbonylContact O-C 3.52Å; Y89-M95 WeakPolarHBondContact O-CA 3.39Å; M90-M95 HydrophobicContact CE-CE 4.38Å; M90-M95 HydrophobicContact CE-CG 4.01Å; M90-M95 HydrophobicContact CE-SD 4.16Å; M90-M95 HydrophobicContact CG-CG 4.35Å; M95-F97 HydrophobicContact CB-CE2 4.24Å; M95-F97 HydrophobicContact CB-CZ 4.46Å; M95-F97 HydrophobicContact CE-CZ 4.15Å; M95-E111 CarbonylContact O-C 3.5Å; M95-E111 VanDerWaalsContact O-CA 3.32Å; M95-E111 WeakPolarHBondContact O-CA 3.34Å; M95-L112 HydrophobicContact CB-CB 4.41Å; M95-L112 PolarHBondContact N-O 2.95Å; M95-L112 PolarHBondContact O-N 2.92Å; M95-Y114 HydrophobicContact CG-CD1 4.3Å; M95-Y114 HydrophobicContact CG-CE1 3.55Å; M95-Y114 HydrophobicContact SD-CE1 4.13Å; M95-I117 HydrophobicContact SD-CD1 3.87Å; M95-L132 HydrophobicContact CE-CD1 4.48Å; M95-L132 HydrophobicContact SD-CD1 4.43Å; M95-I158 HydrophobicContact CE-CG2 4.06Å; M95-I162 HydrophobicContact CE-CD1 4.39Å; M95-I162 HydrophobicContact SD-CD1 3.89Å; M95-I162 HydrophobicContact SD-CG1 4.1Å
96	R	95.6	Very high	89.1	Confident	68 Å²	68	57.8 Å²	57.8	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.3	175.9	-60.8	-171.1	-178.8	168.2	-2.5	112	D41 L88 Y89 F91 S110 E111	D41-R96 IonicContact OD2-CZ 3.34Å; D41-R96 IonicContact OD2-NH1 3.94Å; D41-R96 PolarHBondContact OD2-NH1 2.95Å; D41-R96 IonicContact OD2-NH2 2.88Å; L88-R96 WeakPolarHBondContact CA-O 3.34Å; Y89-R96 PolarHBondContact N-O 3.04Å; Y89-R96 PolarHBondContact O-N 3.23Å; F91-R96 HydrophobicContact CD2-CB 4.36Å; F91-R96 HydrophobicContact CD2-CG 3.87Å; F91-R96 HydrophobicContact CE2-CB 3.92Å; F91-R96 HydrophobicContact CE2-CG 3.74Å; R96-S110 VanDerWaalsContact CA-O 3.29Å; R96-S110 WeakPolarHBondContact CA-O 3.33Å; R96-E111 HydrophobicContact CG-CB 4.23Å; R96-E111 HydrophobicContact CG-CG 4.15Å; R96-E111 IonicContact CZ-OE1 2.93Å; R96-E111 IonicContact NE-OE1 3.01Å; R96-E111 PolarHBondContact NE-OE1 2.87Å; R96-E111 IonicContact NH2-OE1 3.45Å; R96-E111 PolarHBondContact NH2-OE1 3.19Å
97	F	94.9	Very high	88.4	Confident	15 Å²	15	59 Å²	59	7%	0.066	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112	-176.6	-58.7	-91.6	0	0	0	110.3	I52 L88 M95 A107 S110 L112 F147	I52-F97 HydrophobicContact CD1-CE1 4.37Å; I52-F97 HydrophobicContact CG2-CD1 4.1Å; I52-F97 HydrophobicContact CG2-CE1 4.38Å; L88-F97 HydrophobicContact CD1-CD1 4.11Å; L88-F97 HydrophobicContact CD1-CE1 3.81Å; L88-F97 HydrophobicContact CD1-CZ 4.06Å; M95-F97 HydrophobicContact CB-CE2 4.24Å; M95-F97 HydrophobicContact CB-CZ 4.46Å; M95-F97 HydrophobicContact CE-CZ 4.15Å; F97-A107 HydrophobicContact CB-CB 3.91Å; F97-S110 PolarHBondContact N-O 3.04Å; F97-S110 VanDerWaalsContact N-O 3.07Å; F97-L112 HydrophobicContact CE2-CB 4.1Å; F97-F147 HydrophobicContact CD1-CE1 4.32Å; F97-F147 HydrophobicContact CE1-CD1 4.14Å; F97-F147 AromaticContact CE1-CE1 3.56Å; F97-F147 HydrophobicContact CE1-CE1 3.56Å; F97-F147 HydrophobicContact CE1-CZ 4.07Å; F97-F147 AromaticContact CZ-CE1 3.89Å; F97-F147 HydrophobicContact CZ-CE1 3.89Å; F97-F147 AromaticContact CZ-CZ 3.91Å; F97-F147 HydrophobicContact CZ-CZ 3.91Å
98	E	92.5	Very high	87.9	Confident	69 Å²	69	58.7 Å²	58.7	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.3	177.5	-172.3	-175.9	177.3	0	0	110.4	C86 K87 Y89 L100	C86-E98 CarbonylContact C-O 3.56Å; C86-E98 WeakPolarHBondContact CA-O 3.5Å; C86-E98 WeakPolarHBondContact CB-O 3.47Å; K87-E98 PolarHBondContact N-O 3.47Å; K87-E98 PolarHBondContact O-N 3.06Å; Y89-E98 HydrophobicContact CE2-CB 3.79Å; Y89-E98 WeakPolarHBondContact CE2-OE2 3.49Å; Y89-E98 PolarHBondContact OH-OE2 3.38Å; E98-L100 PolarHBondContact O-N 3.22Å
99	R	90.7	Very high	87.4	Confident	75 Å²	75	61.1 Å²	61.1	28%	0.283	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.4	-179.1	-166.5	178.5	67.7	154	6.6	110.8	T84 K101 S102 G104 R105	T84-R99 HydrophobicContact CG2-CG 3.89Å; R99-K101 VanDerWaalsContact CD-O 3.27Å; R99-K101 WeakPolarHBondContact CD-O 3.26Å; R99-K101 VanDerWaalsContact CG-O 3.31Å; R99-K101 WeakPolarHBondContact CG-O 3.15Å; R99-K101 PolarHBondContact NE-O 2.85Å; R99-K101 PolarHBondContact NH2-O 3.06Å; R99-S102 PolarHBondContact NH1-O 3.03Å; R99-S102 VanDerWaalsContact NH1-O 3.12Å; R99-S102 VanDerWaalsContact NH2-CA 3.31Å; R99-S102 PolarHBondContact NH2-O 2.76Å; R99-G104 PolarHBondContact NH1-O 2.78Å; R99-R105 WeakPolarHBondContact CD-O 3.49Å
100	L	89.9	Confident	87.1	Confident	75 Å²	75	64 Å²	64	39%	0.393	32%	0.316	S	S	.	.	S	Bend	trans	-80.6	-26.5	-177.7	-67.7	173.6	0	0	0	113.9	H85 K87 E98	H85-L100 VanDerWaalsContact CE1-CD1 3.44Å; H85-L100 WeakPolarHBondContact CE1-CD1 3.1Å; H85-L100 WeakPolarHBondContact NE2-CD1 3.33Å; H85-L100 PolarHBondContact O-N 2.83Å; K87-L100 HydrophobicContact CB-CD2 4.19Å; K87-L100 HydrophobicContact CB-CG 4.36Å; E98-L100 PolarHBondContact O-N 3.22Å
101	K	85.7	Confident	86.9	Confident	137 Å²	137	66.6 Å²	66.6	60%	0.596	33%	0.328	S	S	*	.	S	Bend	trans	-113.7	142.9	-179.6	-64.4	-173.6	179.4	-176.5	0	111.5	R99 M103	R99-K101 VanDerWaalsContact CD-O 3.27Å; R99-K101 WeakPolarHBondContact CD-O 3.26Å; R99-K101 VanDerWaalsContact CG-O 3.31Å; R99-K101 WeakPolarHBondContact CG-O 3.15Å; R99-K101 PolarHBondContact NE-O 2.85Å; R99-K101 PolarHBondContact NH2-O 3.06Å; K101-M103 PolarHBondContact O-N 3.4Å
102	S	75	Confident	87	Confident	77 Å²	77	66 Å²	66	54%	0.538	33%	0.325	S	S	.	.	S	Bend	trans	-66.8	-21.4	174.3	53.4	0	0	0	0	113.3	R99	R99-S102 PolarHBondContact NH1-O 3.03Å; R99-S102 VanDerWaalsContact NH1-O 3.12Å; R99-S102 VanDerWaalsContact NH2-CA 3.31Å; R99-S102 PolarHBondContact NH2-O 2.76Å
103	M	73	Confident	87.1	Confident	159 Å²	159	69.2 Å²	69.2	78%	0.783	34%	0.335	S	S	*	.	S	Bend	trans	-105.9	126.3	-179.9	-61.1	-61.6	-83.3	0	0	110.1	K101	K101-M103 PolarHBondContact O-N 3.4Å
104	G	72	Confident	87.3	Confident	37 Å²	37	67 Å²	67	38%	0.381	32%	0.323	S	S	.	.	S	Bend	trans	147.2	174.9	-179.1	0	0	0	0	0	112.3	R99	R99-G104 PolarHBondContact NH1-O 2.78Å
105	R	70.9	Confident	87.3	Confident	124 Å²	124	70 Å²	70	47%	0.468	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.5	172	-62.5	-176.1	176.1	170.3	2.6	108.4	T84 R99	T84-R105 VanDerWaalsContact CG2-O 3.25Å; T84-R105 WeakPolarHBondContact CG2-O 3.24Å; T84-R105 WeakPolarHBondContact OG1-CB 3.36Å; T84-R105 PolarHBondContact OG1-N 2.87Å; R99-R105 WeakPolarHBondContact CD-O 3.49Å
106	R	78.5	Confident	87.3	Confident	194 Å²	194	70.6 Å²	70.6	73%	0.732	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-68.4	150	166.9	-67	-177.2	-177	177	0.2	107.8
107	A	80.6	Confident	87.3	Confident	24 Å²	24	67.8 Å²	67.8	20%	0.198	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-56.8	146.7	166.6	0	0	0	0	0	108.5	I54 F97 H109	I54-A107 HydrophobicContact CD1-CB 3.6Å; F97-A107 HydrophobicContact CB-CB 3.91Å; A107-H109 WeakPolarHBondContact CB-O 3.43Å; A107-H109 PolarHBondContact O-N 3.43Å
108	F	84.3	Confident	87.3	Confident	48 Å²	48	71.3 Å²	71.3	21%	0.211	35%	0.346	C	S	.	.	S	Bend	trans	-60.1	-38.5	179	-50.1	-48.1	0	0	0	110.5	I54 Q57 E145	I54-F108 HydrophobicContact CG2-CD2 4Å; I54-F108 HydrophobicContact CG2-CE1 3.91Å; I54-F108 HydrophobicContact CG2-CE2 3.21Å; I54-F108 HydrophobicContact CG2-CZ 3.12Å; Q57-F108 HydrophobicContact CB-CD1 3.47Å; Q57-F108 VanDerWaalsContact CB-CD1 3.47Å; Q57-F108 HydrophobicContact CB-CD2 3.78Å; Q57-F108 HydrophobicContact CB-CE1 3.41Å; Q57-F108 VanDerWaalsContact CB-CE1 3.41Å; Q57-F108 HydrophobicContact CB-CE2 3.68Å; Q57-F108 HydrophobicContact CB-CG 3.68Å; Q57-F108 HydrophobicContact CB-CZ 3.53Å; Q57-F108 HydrophobicContact CG-CD1 4.34Å; Q57-F108 HydrophobicContact CG-CD2 4.43Å; Q57-F108 HydrophobicContact CG-CG 4.24Å; F108-E145 HydrophobicContact CD2-CB 4.32Å; F108-E145 HydrophobicContact CD2-CG 3.88Å; F108-E145 HydrophobicContact CE2-CB 4.41Å; F108-E145 HydrophobicContact CE2-CG 4.33Å
109	H	86.3	Confident	87.5	Confident	50 Å²	50	71.6 Å²	71.6	23%	0.231	34%	0.344	C	S	.	.			trans	-135.9	140.6	178	-50.2	-74.8	0	0	0	108.5	Q57 A107 E111 E145	Q57-H109 PolarHBondContact NE2-NE2 3.34Å; A107-H109 WeakPolarHBondContact CB-O 3.43Å; A107-H109 PolarHBondContact O-N 3.43Å; H109-E111 VanDerWaalsContact C-N 3.28Å; H109-E111 WeakPolarHBondContact CB-O 3.45Å; H109-E145 IonicContact CD2-OE1 3.69Å; H109-E145 PolarHBondContact CD2-OE1 2.82Å; H109-E145 IonicContact CD2-OE2 2.69Å; H109-E145 IonicContact NE2-OE1 2.95Å; H109-E145 PolarHBondContact NE2-OE1 2.84Å
110	S	89	Confident	87.7	Confident	95 Å²	95	69.3 Å²	69.3	66%	0.664	34%	0.339	S	S	*	.	S	Bend	trans	-71.5	-30.7	165.5	49.5	0	0	0	0	111	R96 F97	R96-S110 VanDerWaalsContact CA-O 3.29Å; R96-S110 WeakPolarHBondContact CA-O 3.33Å; F97-S110 PolarHBondContact N-O 3.04Å; F97-S110 VanDerWaalsContact N-O 3.07Å
111	E	93.6	Very high	88	Confident	54 Å²	54	66.5 Å²	66.5	25%	0.252	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.5	-176.6	-177.9	169.9	-128.2	0	0	109.4	S94 M95 R96 H109 R345	S94-E111 PolarHBondContact OG-OE1 3.35Å; M95-E111 CarbonylContact O-C 3.5Å; M95-E111 VanDerWaalsContact O-CA 3.32Å; M95-E111 WeakPolarHBondContact O-CA 3.34Å; R96-E111 HydrophobicContact CG-CB 4.23Å; R96-E111 HydrophobicContact CG-CG 4.15Å; R96-E111 IonicContact CZ-OE1 2.93Å; R96-E111 IonicContact NE-OE1 3.01Å; R96-E111 PolarHBondContact NE-OE1 2.87Å; R96-E111 IonicContact NH2-OE1 3.45Å; R96-E111 PolarHBondContact NH2-OE1 3.19Å; H109-E111 VanDerWaalsContact C-N 3.28Å; H109-E111 WeakPolarHBondContact CB-O 3.45Å; E111-R345 IonicContact OE2-NH1 3.56Å; E111-R345 PolarHBondContact OE2-NH1 3.46Å
112	L	95.5	Very high	88.5	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.6	177.7	173.6	64.2	0	0	0	108.1	S94 M95 F97 D116 I117 L132 V134	S94-L112 CarbonylContact C-O 3.03Å; S94-L112 WeakPolarHBondContact CA-O 3.33Å; M95-L112 HydrophobicContact CB-CB 4.41Å; M95-L112 PolarHBondContact N-O 2.95Å; M95-L112 PolarHBondContact O-N 2.92Å; F97-L112 HydrophobicContact CE2-CB 4.1Å; L112-D116 HydrophobicContact CD1-CB 4.18Å; L112-I117 HydrophobicContact CD1-CG1 4.42Å; L112-I117 HydrophobicContact CD2-CD1 4.04Å; L112-I117 HydrophobicContact CD2-CG1 4.04Å; L112-I117 HydrophobicContact CG-CD1 4.29Å; L112-I117 HydrophobicContact CG-CG1 4.14Å; L112-L132 HydrophobicContact CD2-CD1 3.81Å; L112-V134 HydrophobicContact CD1-CB 4.46Å; L112-V134 HydrophobicContact CD1-CG1 3.62Å; L112-V134 HydrophobicContact CD1-CG2 3.95Å; L112-V134 HydrophobicContact CD2-CG2 4.07Å
113	R	95.9	Very high	89.6	Confident	100 Å²	100	59 Å²	59	38%	0.377	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	148.6	-178.9	-56.5	176.9	-62.4	152.9	11.4	110.2	E115 D116	R113-E115 HydrophobicContact CB-CG 3.89Å; R113-E115 IonicContact CZ-OE1 2.86Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NH1-OE1 2.68Å; R113-E115 PolarHBondContact NH1-OE1 2.85Å; R113-E115 IonicContact NH1-OE2 3.58Å; R113-E115 IonicContact NH2-OE1 2.66Å; R113-E115 PolarHBondContact NH2-OE1 2.91Å; R113-E115 PolarHBondContact O-N 3.45Å; R113-D116 WeakPolarHBondContact CB-OD2 3.3Å; R113-D116 IonicContact CZ-OD1 3.87Å; R113-D116 IonicContact CZ-OD2 3.85Å; R113-D116 IonicContact NE-OD2 3.23Å; R113-D116 PolarHBondContact NE-OD2 2.85Å; R113-D116 IonicContact NH2-OD1 2.89Å; R113-D116 PolarHBondContact NH2-OD1 2.67Å; R113-D116 IonicContact NH2-OD2 3.39Å; R113-D116 PolarHBondContact NH2-OD2 2.91Å; R113-D116 PolarHBondContact O-N 3.42Å; R113-D116 VanDerWaalsContact O-N 3.17Å
114	Y	96.6	Very high	90.6	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.7	-30.7	179.3	-60.3	-58.9	0	0	0	112.6	M90 F91 D92 D93 S94 M95 D116 I117 I162 A165 F171 L173	M90-Y114 HydrophobicContact CE-CE1 3.69Å; F91-Y114 VanDerWaalsContact O-CE2 3.32Å; F91-Y114 WeakPolarHBondContact O-CE2 3.04Å; F91-Y114 PolarHBondContact O-OH 2.62Å; D92-Y114 WeakPolarHBondContact O-CE2 3.31Å; D93-Y114 VanDerWaalsContact C-CE2 3.41Å; D93-Y114 VanDerWaalsContact O-CD2 3.27Å; D93-Y114 WeakPolarHBondContact O-CD2 3.42Å; D93-Y114 PolarHBondContact O-N 2.9Å; D93-Y114 VanDerWaalsContact O-N 3.15Å; S94-Y114 VanDerWaalsContact N-CE2 3.29Å; S94-Y114 PolarHBondContact O-OH 2.83Å; M95-Y114 HydrophobicContact CG-CD1 4.3Å; M95-Y114 HydrophobicContact CG-CE1 3.55Å; M95-Y114 HydrophobicContact SD-CE1 4.13Å; Y114-D116 PolarHBondContact O-N 3.25Å; Y114-I117 HydrophobicContact CD1-CD1 4.2Å; Y114-I117 PolarHBondContact O-N 2.84Å; Y114-I117 VanDerWaalsContact O-N 3.14Å; Y114-I162 HydrophobicContact CD1-CG1 4.33Å; Y114-I162 HydrophobicContact CE1-CG1 4.25Å; Y114-A165 HydrophobicContact CD1-CB 3.98Å; Y114-A165 HydrophobicContact CD2-CB 3.42Å; Y114-A165 VanDerWaalsContact CD2-CB 3.42Å; Y114-A165 HydrophobicContact CE1-CB 4.45Å; Y114-A165 HydrophobicContact CE2-CB 3.95Å; Y114-A165 HydrophobicContact CG-CB 3.44Å; Y114-A165 VanDerWaalsContact CG-CB 3.44Å; Y114-F171 WeakPolarHBondContact CD2-O 3.32Å; Y114-L173 HydrophobicContact CE2-CD1 4.21Å; Y114-L173 HydrophobicContact CE2-CG 4.07Å
115	E	96	Very high	91.7	Very high	64 Å²	64	62 Å²	62	30%	0.299	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62	-28.3	176.5	65	176.9	-122.6	0	0	113.9	R113 I117 K118 F171	R113-E115 HydrophobicContact CB-CG 3.89Å; R113-E115 IonicContact CZ-OE1 2.86Å; R113-E115 IonicContact NE-OE1 3.79Å; R113-E115 IonicContact NH1-OE1 2.68Å; R113-E115 PolarHBondContact NH1-OE1 2.85Å; R113-E115 IonicContact NH1-OE2 3.58Å; R113-E115 IonicContact NH2-OE1 2.66Å; R113-E115 PolarHBondContact NH2-OE1 2.91Å; R113-E115 PolarHBondContact O-N 3.45Å; E115-I117 VanDerWaalsContact C-N 3.3Å; E115-K118 PolarHBondContact O-NZ 3.4Å; E115-F171 HydrophobicContact CB-CB 3.98Å; E115-F171 HydrophobicContact CB-CD1 4.01Å; E115-F171 HydrophobicContact CB-CD2 4.02Å; E115-F171 HydrophobicContact CB-CG 3.72Å
116	D	96.1	Very high	92.9	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.064	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-79.9	-16.5	-179.4	-60.8	-43.5	0	0	0	111.3	L112 R113 Y114 K118 V134 A135 H137	L112-D116 HydrophobicContact CD1-CB 4.18Å; R113-D116 WeakPolarHBondContact CB-OD2 3.3Å; R113-D116 IonicContact CZ-OD1 3.87Å; R113-D116 IonicContact CZ-OD2 3.85Å; R113-D116 IonicContact NE-OD2 3.23Å; R113-D116 PolarHBondContact NE-OD2 2.85Å; R113-D116 IonicContact NH2-OD1 2.89Å; R113-D116 PolarHBondContact NH2-OD1 2.67Å; R113-D116 IonicContact NH2-OD2 3.39Å; R113-D116 PolarHBondContact NH2-OD2 2.91Å; R113-D116 PolarHBondContact O-N 3.42Å; R113-D116 VanDerWaalsContact O-N 3.17Å; Y114-D116 PolarHBondContact O-N 3.25Å; D116-K118 PolarHBondContact O-N 2.84Å; D116-V134 HydrophobicContact CB-CG1 4.13Å; D116-V134 WeakPolarHBondContact O-CA 3.34Å; D116-A135 PolarHBondContact O-N 2.99Å; D116-H137 IonicContact OD1-CD2 3.23Å; D116-H137 PolarHBondContact OD1-CD2 3.31Å
117	I	96.8	Very high	93.8	Very high	9 Å²	9	52 Å²	52	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.6	-179.9	-55.4	175.2	0	0	0	109.4	M95 L112 Y114 E115 L132 I162	M95-I117 HydrophobicContact SD-CD1 3.87Å; L112-I117 HydrophobicContact CD1-CG1 4.42Å; L112-I117 HydrophobicContact CD2-CD1 4.04Å; L112-I117 HydrophobicContact CD2-CG1 4.04Å; L112-I117 HydrophobicContact CG-CD1 4.29Å; L112-I117 HydrophobicContact CG-CG1 4.14Å; Y114-I117 HydrophobicContact CD1-CD1 4.2Å; Y114-I117 PolarHBondContact O-N 2.84Å; Y114-I117 VanDerWaalsContact O-N 3.14Å; E115-I117 VanDerWaalsContact C-N 3.3Å; I117-L132 HydrophobicContact CD1-CD1 4.32Å; I117-L132 HydrophobicContact CG2-CD2 4.33Å; I117-I162 HydrophobicContact CD1-CD1 4.17Å; I117-I162 HydrophobicContact CD1-CG1 4.3Å; I117-I162 HydrophobicContact CD1-CG2 4.32Å; I117-I162 HydrophobicContact CG2-CG2 4.15Å
118	K	95.3	Very high	94.6	Very high	90 Å²	90	54.2 Å²	54.2	39%	0.391	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-28.8	179.3	-55.1	-51.4	175.6	-161.2	0	113.1	F66 E115 D116 C133 A135 H137	F66-K118 HydrophobicContact CE2-CB 4.08Å; F66-K118 HydrophobicContact CE2-CG 4.43Å; E115-K118 PolarHBondContact O-NZ 3.4Å; D116-K118 PolarHBondContact O-N 2.84Å; K118-C133 PolarHBondContact N-O 3.31Å; K118-A135 HydrophobicContact CD-CB 4.3Å; K118-A135 HydrophobicContact CG-CB 3.62Å; K118-H137 PolarHBondContact NZ-CE1 3.14Å; K118-H137 VanDerWaalsContact NZ-CE1 3.31Å; K118-H137 PolarHBondContact NZ-NE2 3.44Å
119	R	94.9	Very high	95.3	Very high	75 Å²	75	51.9 Å²	51.9	28%	0.283	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141.1	178.3	-166.6	-179.7	-175.3	162.8	10	111.1	F66 C133	F66-R119 PolarHBondContact O-NH1 2.87Å; R119-C133 HydrophobicContact CB-CB 3.76Å; R119-C133 PolarHBondContact N-O 2.94Å; R119-C133 PolarHBondContact O-N 2.97Å
120	C	96.5	Very high	95.8	Very high	26 Å²	26	49.5 Å²	49.5	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	172.6	-174.7	0	0	0	0	108.2	L130 L132 I162	C120-L130 VanDerWaalsContact SG-CD1 3.5Å; C120-L132 HydrophobicContact CB-CD2 4.16Å; C120-I162 HydrophobicContact CB-CG2 4.3Å
121	S	96.2	Very high	96.2	Very high	16 Å²	16	45 Å²	45	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.4	-175.7	-69.2	0	0	0	0	112.5	F123 A131	S121-F123 VanDerWaalsContact O-CE2 3.32Å; S121-F123 WeakPolarHBondContact O-CE2 3.1Å; S121-A131 PolarHBondContact N-O 3.04Å; S121-A131 PolarHBondContact O-N 2.89Å
122	T	96.5	Very high	96.4	Very high	51 Å²	51	42.4 Å²	42.4	31%	0.313	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.6	176.1	61.1	0	0	0	0	110.8	L130 I155 C159	T122-L130 HydrophobicContact CG2-CD1 4.3Å; T122-I155 HydrophobicContact CG2-CG2 3.75Å; T122-C159 WeakPolarHBondContact CG2-SG 3.19Å
123	F	96.3	Very high	96.5	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.1	-168.4	-51.4	-85.6	0	0	0	111.6	I71 L75 S121 S125 K126 P127 A129 A131	I71-F123 HydrophobicContact CG2-CE1 3.86Å; I71-F123 HydrophobicContact CG2-CZ 3.47Å; I71-F123 VanDerWaalsContact CG2-CZ 3.47Å; L75-F123 HydrophobicContact CD2-CB 4.12Å; L75-F123 HydrophobicContact CD2-CD1 3.78Å; L75-F123 HydrophobicContact CD2-CD2 3.35Å; L75-F123 HydrophobicContact CD2-CE1 3.99Å; L75-F123 HydrophobicContact CD2-CE2 3.62Å; L75-F123 HydrophobicContact CD2-CG 3.44Å; L75-F123 VanDerWaalsContact CD2-CG 3.44Å; L75-F123 HydrophobicContact CD2-CZ 3.92Å; S121-F123 VanDerWaalsContact O-CE2 3.32Å; S121-F123 WeakPolarHBondContact O-CE2 3.1Å; F123-S125 VanDerWaalsContact C-N 3.34Å; F123-S125 PolarHBondContact O-N 2.94Å; F123-K126 HydrophobicContact CB-CB 4.34Å; F123-K126 CarbonylContact O-C 3.56Å; F123-K126 PolarHBondContact O-N 2.85Å; F123-K126 VanDerWaalsContact O-O 3.13Å; F123-P127 WeakPolarHBondContact O-CA 3.4Å; F123-A129 HydrophobicContact CD2-CB 3.95Å; F123-A131 HydrophobicContact CE2-CB 3.83Å; F123-A131 HydrophobicContact CZ-CB 3.68Å
124	R	94.6	Very high	96.6	Very high	179 Å²	179	37.8 Å²	37.8	68%	0.675	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.4	177.4	-65.2	-167.7	-167.3	149.8	9.9	112.5	K126 D216	R124-K126 PolarHBondContact O-N 3.07Å; R124-D216 IonicContact CZ-OD1 3.71Å; R124-D216 VanDerWaalsContact CZ-OD1 3.23Å; R124-D216 IonicContact CZ-OD2 2.62Å; R124-D216 IonicContact NE-OD1 3.19Å; R124-D216 PolarHBondContact NE-OD1 3.19Å; R124-D216 IonicContact NH2-OD1 2.59Å; R124-D216 PolarHBondContact NH2-OD1 3.29Å; R124-D216 IonicContact NH2-OD2 2.75Å; R124-D216 PolarHBondContact NH2-OD2 3.26Å
125	S	95.6	Very high	96.5	Very high	80 Å²	80	38.5 Å²	38.5	56%	0.559	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.7	177.1	55.2	0	0	0	0	112.6	F123	F123-S125 VanDerWaalsContact C-N 3.34Å; F123-S125 PolarHBondContact O-N 2.94Å
126	K	96.8	Very high	96.1	Very high	32 Å²	32	36.9 Å²	36.9	14%	0.139	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	75.8	-175.1	-72.2	168	176.3	160	0	109.7	L75 D76 Y79 F123 R124 Q128 A129	L75-K126 HydrophobicContact CD2-CB 4.45Å; L75-K126 HydrophobicContact CD2-CD 3.95Å; L75-K126 HydrophobicContact CG-CD 4.1Å; D76-K126 IonicContact OD1-NZ 2.63Å; D76-K126 PolarHBondContact OD1-NZ 2.79Å; Y79-K126 HydrophobicContact CD1-CD 4.02Å; Y79-K126 HydrophobicContact CD2-CD 3.63Å; Y79-K126 HydrophobicContact CD2-CG 4.36Å; Y79-K126 HydrophobicContact CE1-CD 4.23Å; Y79-K126 HydrophobicContact CE1-CG 4.3Å; Y79-K126 HydrophobicContact CE2-CB 4.15Å; Y79-K126 HydrophobicContact CE2-CD 3.88Å; Y79-K126 HydrophobicContact CE2-CG 4.1Å; Y79-K126 HydrophobicContact CG-CD 3.69Å; F123-K126 HydrophobicContact CB-CB 4.34Å; F123-K126 CarbonylContact O-C 3.56Å; F123-K126 PolarHBondContact O-N 2.85Å; F123-K126 VanDerWaalsContact O-O 3.13Å; R124-K126 PolarHBondContact O-N 3.07Å; K126-Q128 PolarHBondContact O-N 3.05Å; K126-A129 HydrophobicContact CB-CB 3.83Å; K126-A129 WeakPolarHBondContact O-CB 3.45Å; K126-A129 PolarHBondContact O-N 2.68Å
127	P	97.1	Very high	95.4	Very high	76 Å²	76	41.9 Å²	41.9	49%	0.494	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-12.7	-172.9	28.1	-36.8	0	0	0	113.8	F123 P152	F123-P127 WeakPolarHBondContact O-CA 3.4Å; P127-P152 HydrophobicContact CB-CB 4.06Å; P127-P152 WeakPolarHBondContact O-CB 3.5Å
128	Q	97.3	Very high	94.8	Very high	69 Å²	69	45.4 Å²	45.4	32%	0.322	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-3.6	173.1	-72.2	172.1	-24.4	0	0	113.4	K126 R148 C149 K150 I155	K126-Q128 PolarHBondContact O-N 3.05Å; Q128-R148 HydrophobicContact CB-CG 4.07Å; Q128-R148 CarbonylContact O-C 3.57Å; Q128-R148 WeakPolarHBondContact O-CA 3.21Å; Q128-R148 WeakPolarHBondContact O-CG 3.35Å; Q128-C149 PolarHBondContact O-N 3.17Å; Q128-K150 PolarHBondContact NE2-O 2.9Å; Q128-I155 WeakPolarHBondContact O-CD1 3.39Å
129	A	98	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.6	-177.5	0	0	0	0	0	112.1	L75 Y79 F123 K126 F147	L75-A129 HydrophobicContact CD1-CB 3.92Å; L75-A129 HydrophobicContact CD2-CB 3.91Å; Y79-A129 HydrophobicContact CD2-CB 4.38Å; Y79-A129 HydrophobicContact CE2-CB 3.95Å; F123-A129 HydrophobicContact CD2-CB 3.95Å; K126-A129 HydrophobicContact CB-CB 3.83Å; K126-A129 WeakPolarHBondContact O-CB 3.45Å; K126-A129 PolarHBondContact O-N 2.68Å; A129-F147 WeakPolarHBondContact CA-O 3.34Å
130	L	97.6	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.6	175.1	177.2	66.1	0	0	0	108.6	C120 T122 L132 F147 I155 I158	C120-L130 VanDerWaalsContact SG-CD1 3.5Å; T122-L130 HydrophobicContact CG2-CD1 4.3Å; L130-L132 HydrophobicContact CD1-CD2 4.26Å; L130-L132 HydrophobicContact CD2-CD2 4.18Å; L130-L132 HydrophobicContact CD2-CG 4.46Å; L130-L132 HydrophobicContact CG-CD2 4.14Å; L130-L132 HydrophobicContact CG-CG 4.45Å; L130-F147 HydrophobicContact CB-CB 4.36Å; L130-F147 PolarHBondContact N-O 3.47Å; L130-F147 PolarHBondContact O-N 2.78Å; L130-I155 HydrophobicContact CB-CD1 3.82Å; L130-I155 HydrophobicContact CB-CG2 4.43Å; L130-I158 HydrophobicContact CD2-CG2 3.75Å
131	A	98	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131	168.2	0	0	0	0	0	109.7	I71 S121 F123 E145 F146	I71-A131 HydrophobicContact CG2-CB 3.52Å; S121-A131 PolarHBondContact N-O 3.04Å; S121-A131 PolarHBondContact O-N 2.89Å; F123-A131 HydrophobicContact CE2-CB 3.83Å; F123-A131 HydrophobicContact CZ-CB 3.68Å; A131-E145 CarbonylContact C-O 3.51Å; A131-E145 VanDerWaalsContact CA-O 3.31Å; A131-E145 WeakPolarHBondContact CA-O 3.29Å; A131-F146 HydrophobicContact CB-CD1 3.84Å; A131-F146 HydrophobicContact CB-CE1 3.87Å
132	L	97.9	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133	172	-57.9	-176.7	0	0	0	109.1	M95 L112 I117 C120 L130 V134 E145 F147 I162	M95-L132 HydrophobicContact CE-CD1 4.48Å; M95-L132 HydrophobicContact SD-CD1 4.43Å; L112-L132 HydrophobicContact CD2-CD1 3.81Å; I117-L132 HydrophobicContact CD1-CD1 4.32Å; I117-L132 HydrophobicContact CG2-CD2 4.33Å; C120-L132 HydrophobicContact CB-CD2 4.16Å; L130-L132 HydrophobicContact CD1-CD2 4.26Å; L130-L132 HydrophobicContact CD2-CD2 4.18Å; L130-L132 HydrophobicContact CD2-CG 4.46Å; L130-L132 HydrophobicContact CG-CD2 4.14Å; L130-L132 HydrophobicContact CG-CG 4.45Å; L132-V134 HydrophobicContact CB-CG2 4.13Å; L132-E145 HydrophobicContact CB-CB 4.45Å; L132-E145 PolarHBondContact N-O 2.87Å; L132-E145 PolarHBondContact O-N 2.93Å; L132-F147 HydrophobicContact CB-CE2 4.32Å; L132-F147 HydrophobicContact CD1-CD2 4.34Å; L132-F147 HydrophobicContact CD1-CE2 3.73Å; L132-F147 HydrophobicContact CG-CD2 4.26Å; L132-F147 HydrophobicContact CG-CE2 3.93Å; L132-I162 HydrophobicContact CD2-CD1 3.85Å
133	C	97.1	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.7	167	-60.7	0	0	0	0	107.6	F66 K118 R119 T143 Y144	F66-C133 HydrophobicContact CD1-CB 3.67Å; F66-C133 VanDerWaalsContact CD1-SG 3.56Å; F66-C133 HydrophobicContact CD2-CB 3.93Å; F66-C133 HydrophobicContact CE1-CB 3.55Å; F66-C133 HydrophobicContact CE2-CB 3.84Å; F66-C133 HydrophobicContact CG-CB 3.84Å; F66-C133 HydrophobicContact CZ-CB 3.65Å; K118-C133 PolarHBondContact N-O 3.31Å; R119-C133 HydrophobicContact CB-CB 3.76Å; R119-C133 PolarHBondContact N-O 2.94Å; R119-C133 PolarHBondContact O-N 2.97Å; C133-T143 WeakPolarHBondContact CA-O 3.45Å; C133-Y144 VanDerWaalsContact SG-CE1 3.54Å
134	V	96.6	Very high	93.9	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	-175.6	-178.8	0	0	0	0	108.8	L112 D116 L132 R142 T143	L112-V134 HydrophobicContact CD1-CB 4.46Å; L112-V134 HydrophobicContact CD1-CG1 3.62Å; L112-V134 HydrophobicContact CD1-CG2 3.95Å; L112-V134 HydrophobicContact CD2-CG2 4.07Å; D116-V134 HydrophobicContact CB-CG1 4.13Å; D116-V134 WeakPolarHBondContact O-CA 3.34Å; L132-V134 HydrophobicContact CB-CG2 4.13Å; V134-R142 CarbonylContact O-C 3.54Å; V134-R142 WeakPolarHBondContact O-CA 3.4Å; V134-T143 PolarHBondContact N-O 3.35Å; V134-T143 PolarHBondContact O-N 3.21Å
135	A	94.6	Very high	94	Very high	15 Å²	15	39.2 Å²	39.2	12%	0.124	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.3	171.7	0	0	0	0	0	109.3	D116 K118 K141 R142	D116-A135 PolarHBondContact O-N 2.99Å; K118-A135 HydrophobicContact CD-CB 4.3Å; K118-A135 HydrophobicContact CG-CB 3.62Å; A135-K141 WeakPolarHBondContact CA-O 3.49Å; A135-R142 HydrophobicContact CB-CG 3.92Å
136	N	88.1	Confident	94.1	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.7	176.5	-175	-14.9	0	0	0	109.4	C138 D140 K141	N136-C138 VanDerWaalsContact C-N 3.25Å; N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 WeakPolarHBondContact OD1-CB 3.45Å; N136-C138 PolarHBondContact OD1-N 3.29Å; N136-D140 PolarHBondContact O-N 3.19Å; N136-K141 PolarHBondContact N-O 3.28Å
137	H	82.2	Confident	94.2	Very high	118 Å²	118	34 Å²	34	55%	0.546	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.4	-179.4	-70.5	-72.5	0	0	0	113.9	D116 K118	D116-H137 IonicContact OD1-CD2 3.23Å; D116-H137 PolarHBondContact OD1-CD2 3.31Å; K118-H137 PolarHBondContact NZ-CE1 3.14Å; K118-H137 VanDerWaalsContact NZ-CE1 3.31Å; K118-H137 PolarHBondContact NZ-NE2 3.44Å
138	C	83.8	Confident	94.2	Very high	82 Å²	82	33.2 Å²	33.2	55%	0.554	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-38.2	-177.2	-62.3	0	0	0	0	113.1	N136	N136-C138 VanDerWaalsContact C-N 3.25Å; N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 WeakPolarHBondContact OD1-CB 3.45Å; N136-C138 PolarHBondContact OD1-N 3.29Å
139	D	85.2	Confident	94.2	Very high	70 Å²	70	30 Å²	30	37%	0.374	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-2.8	-167.9	-77.7	-2.4	0	0	0	113.7	K141	D139-K141 HydrophobicContact CB-CB 4.04Å; D139-K141 HydrophobicContact CB-CD 3.72Å; D139-K141 HydrophobicContact CB-CG 3.73Å; D139-K141 PolarHBondContact O-N 3.43Å; D139-K141 WeakPolarHBondContact OD2-CE 3.08Å; D139-K141 IonicContact OD2-NZ 2.78Å; D139-K141 PolarHBondContact OD2-NZ 3.1Å
140	D	87.3	Confident	94	Very high	87 Å²	87	35 Å²	35	47%	0.465	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	20.5	-168	-162.6	25.8	0	0	0	112.4	K62 N136	K62-D140 VanDerWaalsContact CE-OD2 3.27Å; K62-D140 WeakPolarHBondContact CE-OD2 3.25Å; K62-D140 IonicContact NZ-OD2 3.89Å; N136-D140 PolarHBondContact O-N 3.19Å
141	K	93.7	Very high	93.9	Very high	91 Å²	91	37 Å²	37	40%	0.396	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.5	179.7	-78.4	175.3	-171	153.7	0	109.4	A135 N136 D139	A135-K141 WeakPolarHBondContact CA-O 3.49Å; N136-K141 PolarHBondContact N-O 3.28Å; D139-K141 HydrophobicContact CB-CB 4.04Å; D139-K141 HydrophobicContact CB-CD 3.72Å; D139-K141 HydrophobicContact CB-CG 3.73Å; D139-K141 PolarHBondContact O-N 3.43Å; D139-K141 WeakPolarHBondContact OD2-CE 3.08Å; D139-K141 IonicContact OD2-NZ 2.78Å; D139-K141 PolarHBondContact OD2-NZ 3.1Å
142	R	95.8	Very high	93.9	Very high	49 Å²	49	39.5 Å²	39.5	19%	0.185	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133	176.9	-62.6	-176.3	-62.3	146.4	17.4	108.4	L60 K61 K62 E64 F66 V134 A135	L60-R142 HydrophobicContact CB-CB 4.23Å; L60-R142 PolarHBondContact N-O 3.15Å; K61-R142 PolarHBondContact O-NH2 3.27Å; K62-R142 VanDerWaalsContact C-NH2 3.25Å; K62-R142 PolarHBondContact O-NH2 2.86Å; E64-R142 VanDerWaalsContact N-NH2 3.17Å; E64-R142 PolarHBondContact O-NH1 3.21Å; E64-R142 PolarHBondContact O-NH2 3.44Å; F66-R142 HydrophobicContact CE1-CB 4.37Å; F66-R142 HydrophobicContact CZ-CB 3.93Å; F66-R142 HydrophobicContact CZ-CG 4.36Å; V134-R142 CarbonylContact O-C 3.54Å; V134-R142 WeakPolarHBondContact O-CA 3.4Å; A135-R142 HydrophobicContact CB-CG 3.92Å
143	T	97.1	Very high	93.9	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.5	-178.7	73.7	0	0	0	0	111.9	Q57 I58 E59 C133 V134 E145	Q57-T143 HydrophobicContact CG-CG2 4.26Å; Q57-T143 PolarHBondContact NE2-OG1 2.93Å; I58-T143 CarbonylContact O-C 3.57Å; I58-T143 VanDerWaalsContact O-CA 3.24Å; I58-T143 WeakPolarHBondContact O-CA 3.5Å; E59-T143 HydrophobicContact CB-CG2 4.49Å; C133-T143 WeakPolarHBondContact CA-O 3.45Å; V134-T143 PolarHBondContact N-O 3.35Å; V134-T143 PolarHBondContact O-N 3.21Å; T143-E145 PolarHBondContact OG1-OE1 2.89Å
144	Y	97.5	Very high	93.9	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.5	161	-65.6	-57.8	0	0	0	109.1	Q57 I58 L60 E65 F66 T67 R70 I71 L74 C133 F146	Q57-Y144 CarbonylContact C-O 3.55Å; Q57-Y144 VanDerWaalsContact CA-O 3.26Å; Q57-Y144 WeakPolarHBondContact CA-O 3.27Å; I58-Y144 PolarHBondContact N-O 3.38Å; I58-Y144 PolarHBondContact O-N 3.26Å; L60-Y144 HydrophobicContact CD1-CD1 4.21Å; L60-Y144 HydrophobicContact CD1-CD2 3.36Å; L60-Y144 HydrophobicContact CD1-CE1 4.39Å; L60-Y144 HydrophobicContact CD1-CE2 3.54Å; L60-Y144 HydrophobicContact CD1-CG 3.72Å; L60-Y144 HydrophobicContact CD2-CD2 4.45Å; L60-Y144 HydrophobicContact CD2-CE1 4.36Å; L60-Y144 HydrophobicContact CD2-CE2 3.76Å; L60-Y144 HydrophobicContact CG-CD2 3.99Å; L60-Y144 HydrophobicContact CG-CE2 3.65Å; E65-Y144 PolarHBondContact O-OH 3.23Å; F66-Y144 WeakPolarHBondContact CA-OH 3.41Å; F66-Y144 HydrophobicContact CD1-CD1 4.1Å; F66-Y144 AromaticContact CD1-CE1 3.36Å; F66-Y144 HydrophobicContact CD1-CE1 3.36Å; F66-Y144 AromaticContact CD1-CZ 3.79Å; F66-Y144 HydrophobicContact CE1-CD1 4.29Å; F66-Y144 AromaticContact CE1-CE1 3.98Å; F66-Y144 HydrophobicContact CE1-CE1 3.98Å; F66-Y144 HydrophobicContact CG-CE1 4.36Å; T67-Y144 PolarHBondContact N-OH 3.03Å; R70-Y144 HydrophobicContact CG-CE2 4.11Å; I71-Y144 HydrophobicContact CD1-CD1 4.2Å; I71-Y144 HydrophobicContact CD1-CE1 3.65Å; I71-Y144 HydrophobicContact CG1-CD1 3.74Å; I71-Y144 HydrophobicContact CG1-CE1 3.28Å; L74-Y144 HydrophobicContact CD1-CD2 3.82Å; L74-Y144 HydrophobicContact CD1-CE2 4.11Å; C133-Y144 VanDerWaalsContact SG-CE1 3.54Å; Y144-F146 HydrophobicContact CG-CZ 4.45Å
145	E	97.1	Very high	93.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	175.5	-67.7	179.9	-152	0	0	110.5	Q57 F108 H109 A131 L132 T143 F147	Q57-E145 HydrophobicContact CB-CG 4.3Å; Q57-E145 HydrophobicContact CG-CG 3.92Å; Q57-E145 PolarHBondContact NE2-OE1 3.14Å; F108-E145 HydrophobicContact CD2-CB 4.32Å; F108-E145 HydrophobicContact CD2-CG 3.88Å; F108-E145 HydrophobicContact CE2-CB 4.41Å; F108-E145 HydrophobicContact CE2-CG 4.33Å; H109-E145 IonicContact CD2-OE1 3.69Å; H109-E145 PolarHBondContact CD2-OE1 2.82Å; H109-E145 IonicContact CD2-OE2 2.69Å; H109-E145 IonicContact NE2-OE1 2.95Å; H109-E145 PolarHBondContact NE2-OE1 2.84Å; A131-E145 CarbonylContact C-O 3.51Å; A131-E145 VanDerWaalsContact CA-O 3.31Å; A131-E145 WeakPolarHBondContact CA-O 3.29Å; L132-E145 HydrophobicContact CB-CB 4.45Å; L132-E145 PolarHBondContact N-O 2.87Å; L132-E145 PolarHBondContact O-N 2.93Å; T143-E145 PolarHBondContact OG1-OE1 2.89Å; E145-F147 HydrophobicContact CB-CD2 4.49Å; E145-F147 HydrophobicContact CB-CE2 3.53Å; E145-F147 HydrophobicContact CB-CZ 3.83Å; E145-F147 WeakPolarHBondContact OE2-CZ 3.48Å
146	F	97.7	Very high	94.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.7	-175.9	-62	-86.3	0	0	0	110.9	L55 K56 I58 I71 L74 L75 A131 Y144	L55-F146 HydrophobicContact CB-CB 3.98Å; L55-F146 WeakPolarHBondContact CB-O 3.41Å; L55-F146 HydrophobicContact CD1-CB 4.23Å; L55-F146 PolarHBondContact N-O 2.77Å; K56-F146 HydrophobicContact CB-CD2 4.45Å; K56-F146 WeakPolarHBondContact O-CD2 3.49Å; K56-F146 PolarHBondContact O-N 3.39Å; I58-F146 HydrophobicContact CD1-CE2 3.93Å; I58-F146 HydrophobicContact CG1-CE2 4.35Å; I71-F146 HydrophobicContact CG2-CE1 3.71Å; I71-F146 HydrophobicContact CG2-CZ 4.2Å; I71-F146 WeakPolarHBondContact O-CE1 3.49Å; L74-F146 HydrophobicContact CB-CE1 4.44Å; L74-F146 HydrophobicContact CB-CE2 4.06Å; L74-F146 HydrophobicContact CB-CZ 3.63Å; L74-F146 HydrophobicContact CD1-CZ 4.38Å; L75-F146 HydrophobicContact CB-CD1 4.11Å; L75-F146 HydrophobicContact CB-CE1 3.94Å; L75-F146 HydrophobicContact CD1-CD1 3.92Å; A131-F146 HydrophobicContact CB-CD1 3.84Å; A131-F146 HydrophobicContact CB-CE1 3.87Å; Y144-F146 HydrophobicContact CG-CZ 4.45Å
147	F	97.4	Very high	94.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.1	-179.3	-54.3	-86.7	0	0	0	111.3	I52 Y53 I54 F97 A129 L130 L132 E145	I52-F147 HydrophobicContact CD1-CB 3.74Å; I52-F147 HydrophobicContact CD1-CD1 3.9Å; I52-F147 HydrophobicContact CD1-CG 3.96Å; I52-F147 HydrophobicContact CG1-CB 3.92Å; I52-F147 HydrophobicContact CG1-CD1 4.16Å; I52-F147 HydrophobicContact CG1-CG 4.4Å; Y53-F147 CarbonylContact O-C 3.44Å; Y53-F147 WeakPolarHBondContact O-CA 3.23Å; I54-F147 HydrophobicContact CG1-CD1 4.16Å; I54-F147 HydrophobicContact CG1-CE1 4.11Å; F97-F147 HydrophobicContact CD1-CE1 4.32Å; F97-F147 HydrophobicContact CE1-CD1 4.14Å; F97-F147 AromaticContact CE1-CE1 3.56Å; F97-F147 HydrophobicContact CE1-CE1 3.56Å; F97-F147 HydrophobicContact CE1-CZ 4.07Å; F97-F147 AromaticContact CZ-CE1 3.89Å; F97-F147 HydrophobicContact CZ-CE1 3.89Å; F97-F147 AromaticContact CZ-CZ 3.91Å; F97-F147 HydrophobicContact CZ-CZ 3.91Å; A129-F147 WeakPolarHBondContact CA-O 3.34Å; L130-F147 HydrophobicContact CB-CB 4.36Å; L130-F147 PolarHBondContact N-O 3.47Å; L130-F147 PolarHBondContact O-N 2.78Å; L132-F147 HydrophobicContact CB-CE2 4.32Å; L132-F147 HydrophobicContact CD1-CD2 4.34Å; L132-F147 HydrophobicContact CD1-CE2 3.73Å; L132-F147 HydrophobicContact CG-CD2 4.26Å; L132-F147 HydrophobicContact CG-CE2 3.93Å; E145-F147 HydrophobicContact CB-CD2 4.49Å; E145-F147 HydrophobicContact CB-CE2 3.53Å; E145-F147 HydrophobicContact CB-CZ 3.83Å; E145-F147 WeakPolarHBondContact OE2-CZ 3.48Å
148	R	97.2	Very high	95.3	Very high	60 Å²	60	41.7 Å²	41.7	23%	0.226	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.3	171.2	-176.8	179.7	73.1	171.4	8	110.3	Y53 L55 Y79 N83 Q128	Y53-R148 WeakPolarHBondContact CB-O 3.37Å; Y53-R148 WeakPolarHBondContact CD2-O 3.31Å; Y53-R148 PolarHBondContact N-O 2.79Å; Y53-R148 PolarHBondContact O-N 3.18Å; L55-R148 HydrophobicContact CD1-CB 4.18Å; L55-R148 HydrophobicContact CD2-CB 4.18Å; L55-R148 HydrophobicContact CG-CB 4.33Å; Y79-R148 HydrophobicContact CE2-CG 4.26Å; N83-R148 PolarHBondContact ND2-NH2 3.3Å; Q128-R148 HydrophobicContact CB-CG 4.07Å; Q128-R148 CarbonylContact O-C 3.57Å; Q128-R148 WeakPolarHBondContact O-CA 3.21Å; Q128-R148 WeakPolarHBondContact O-CG 3.35Å
149	C	97.4	Very high	95.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	165.4	172	-69.7	0	0	0	0	111.3	Q128 D154 I155	Q128-C149 PolarHBondContact O-N 3.17Å; C149-D154 HydrophobicContact CB-CB 3.96Å; C149-I155 HydrophobicContact CB-CD1 3.68Å; C149-I155 HydrophobicContact CB-CG1 3.96Å; C149-I155 VanDerWaalsContact SG-CD1 3.54Å
150	K	95.2	Very high	96.4	Very high	105 Å²	105	37.6 Å²	37.6	46%	0.457	19%	0.187	S	C	.	.	S	Bend	trans	-68.5	-41.2	172.9	-70.4	-177.7	177.5	168.7	0	111.6	D51 Y53 Q128	D51-K150 HydrophobicContact CB-CD 4.03Å; D51-K150 HydrophobicContact CB-CG 4.29Å; D51-K150 WeakPolarHBondContact OD2-CE 3.41Å; D51-K150 IonicContact OD2-NZ 2.68Å; D51-K150 PolarHBondContact OD2-NZ 2.82Å; Y53-K150 HydrophobicContact CE2-CG 3.8Å; Y53-K150 WeakPolarHBondContact OH-CE 3.42Å; Q128-K150 PolarHBondContact NE2-O 2.9Å
151	S	95.8	Very high	96.9	Very high	42 Å²	42	34.2 Å²	34.2	29%	0.294	17%	0.169	S	C	.	.			trans	-112.4	138	-179.4	-175.9	0	0	0	0	111.2	N153 D154	S151-N153 PolarHBondContact O-N 3.45Å; S151-N153 WeakPolarHBondContact OG-CB 3.49Å; S151-N153 PolarHBondContact OG-N 3.14Å; S151-D154 WeakPolarHBondContact CB-OD2 3.39Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 3.41Å; S151-D154 VanDerWaalsContact O-N 3.15Å
152	P	96.8	Very high	97.1	Very high	53 Å²	53	30 Å²	30	34%	0.344	15%	0.151	S	C	.	.	H	α-helix	trans	-62.8	-23.4	168.5	28.2	-35.2	0	0	0	112.3	P127 D154 I155 N156	P127-P152 HydrophobicContact CB-CB 4.06Å; P127-P152 WeakPolarHBondContact O-CB 3.5Å; P152-D154 VanDerWaalsContact C-N 3.28Å; P152-D154 PolarHBondContact O-N 2.75Å; P152-I155 WeakPolarHBondContact O-CB 3.41Å; P152-I155 PolarHBondContact O-N 2.69Å; P152-N156 PolarHBondContact O-N 2.88Å; P152-N156 VanDerWaalsContact O-N 3.1Å; P152-N156 PolarHBondContact O-ND2 2.93Å
153	N	97.3	Very high	97.1	Very high	69 Å²	69	30.3 Å²	30.3	37%	0.369	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-35.1	174.4	-164	26.1	0	0	0	111.8	S151 N156 R157	S151-N153 PolarHBondContact O-N 3.45Å; S151-N153 WeakPolarHBondContact OG-CB 3.49Å; S151-N153 PolarHBondContact OG-N 3.14Å; N153-N156 PolarHBondContact O-N 3.28Å; N153-R157 PolarHBondContact ND2-NH2 3.4Å; N153-R157 VanDerWaalsContact O-CG 3.3Å; N153-R157 WeakPolarHBondContact O-CG 3.3Å; N153-R157 PolarHBondContact O-N 3.19Å
154	D	97.6	Very high	97	Very high	20 Å²	20	34 Å²	34	11%	0.107	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-41.5	177.1	-59.9	-29.9	0	0	0	110.3	C50 C149 S151 P152 N156 R157 I158	C50-D154 HydrophobicContact CB-CB 4.33Å; C149-D154 HydrophobicContact CB-CB 3.96Å; S151-D154 WeakPolarHBondContact CB-OD2 3.39Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 3.41Å; S151-D154 VanDerWaalsContact O-N 3.15Å; P152-D154 VanDerWaalsContact C-N 3.28Å; P152-D154 PolarHBondContact O-N 2.75Å; D154-N156 VanDerWaalsContact C-N 3.35Å; D154-N156 PolarHBondContact O-N 3.01Å; D154-R157 PolarHBondContact O-N 3.23Å; D154-I158 WeakPolarHBondContact O-CD1 3.46Å; D154-I158 WeakPolarHBondContact O-CG1 3.42Å; D154-I158 PolarHBondContact O-N 3.39Å
155	I	97.9	Very high	96.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-48.7	174.3	-58	-68.5	0	0	0	110.5	T122 Q128 L130 C149 P152 R157 I158 C159	T122-I155 HydrophobicContact CG2-CG2 3.75Å; Q128-I155 WeakPolarHBondContact O-CD1 3.39Å; L130-I155 HydrophobicContact CB-CD1 3.82Å; L130-I155 HydrophobicContact CB-CG2 4.43Å; C149-I155 HydrophobicContact CB-CD1 3.68Å; C149-I155 HydrophobicContact CB-CG1 3.96Å; C149-I155 VanDerWaalsContact SG-CD1 3.54Å; P152-I155 WeakPolarHBondContact O-CB 3.41Å; P152-I155 PolarHBondContact O-N 2.69Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 2.89Å; I155-I158 PolarHBondContact O-N 3.28Å; I155-C159 PolarHBondContact O-N 3.12Å; I155-C159 PolarHBondContact O-SG 3.17Å
156	N	97.1	Very high	96.8	Very high	73 Å²	73	36.4 Å²	36.4	39%	0.39	19%	0.185	S	C	.	.	H	α-helix	trans	-60.7	-41.2	178.5	-66.6	-25.4	0	0	0	112	P152 N153 D154 N160	P152-N156 PolarHBondContact O-N 2.88Å; P152-N156 VanDerWaalsContact O-N 3.1Å; P152-N156 PolarHBondContact O-ND2 2.93Å; N153-N156 PolarHBondContact O-N 3.28Å; D154-N156 VanDerWaalsContact C-N 3.35Å; D154-N156 PolarHBondContact O-N 3.01Å; N156-N160 VanDerWaalsContact O-CB 3.31Å; N156-N160 WeakPolarHBondContact O-CB 3.36Å; N156-N160 PolarHBondContact O-N 2.98Å; N156-N160 PolarHBondContact O-ND2 2.84Å
157	R	97.5	Very high	96.5	Very high	52 Å²	52	43.5 Å²	43.5	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.2	-70.5	173.6	-177	-157	4	111.7	L48 N153 D154 I155 N160 L161 N182	L48-R157 HydrophobicContact CD1-CB 4.46Å; L48-R157 HydrophobicContact CD2-CB 3.92Å; N153-R157 PolarHBondContact ND2-NH2 3.4Å; N153-R157 VanDerWaalsContact O-CG 3.3Å; N153-R157 WeakPolarHBondContact O-CG 3.3Å; N153-R157 PolarHBondContact O-N 3.19Å; D154-R157 PolarHBondContact O-N 3.23Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 2.89Å; R157-N160 PolarHBondContact O-N 2.92Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.48Å; R157-N182 PolarHBondContact NH2-OD1 2.81Å; R157-N182 VanDerWaalsContact NH2-OD1 3.12Å
158	I	98	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-51.6	176.7	-66.9	161.7	0	0	0	110.2	L48 I52 L88 M90 M95 L130 D154 I155 N160 L161 I162	L48-I158 HydrophobicContact CD2-CG1 3.69Å; I52-I158 HydrophobicContact CD1-CD1 4.39Å; L88-I158 HydrophobicContact CD2-CD1 3.61Å; L88-I158 HydrophobicContact CD2-CG1 3.85Å; M90-I158 HydrophobicContact CE-CG2 4.31Å; M90-I158 HydrophobicContact SD-CB 4.18Å; M90-I158 HydrophobicContact SD-CG1 3.95Å; M90-I158 HydrophobicContact SD-CG2 4.11Å; M95-I158 HydrophobicContact CE-CG2 4.06Å; L130-I158 HydrophobicContact CD2-CG2 3.75Å; D154-I158 WeakPolarHBondContact O-CD1 3.46Å; D154-I158 WeakPolarHBondContact O-CG1 3.42Å; D154-I158 PolarHBondContact O-N 3.39Å; I155-I158 PolarHBondContact O-N 3.28Å; I158-N160 PolarHBondContact O-N 2.76Å; I158-L161 PolarHBondContact O-N 2.79Å; I158-L161 VanDerWaalsContact O-N 3.16Å; I158-I162 HydrophobicContact CG2-CD1 3.73Å; I158-I162 HydrophobicContact CG2-CG1 4.38Å; I158-I162 WeakPolarHBondContact O-CG1 3.31Å; I158-I162 PolarHBondContact O-N 2.83Å
159	C	97.3	Very high	96.1	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-47.9	178.5	-65.7	0	0	0	0	111.6	T122 I155 L161 I162 D163	T122-C159 WeakPolarHBondContact CG2-SG 3.19Å; I155-C159 PolarHBondContact O-N 3.12Å; I155-C159 PolarHBondContact O-SG 3.17Å; C159-L161 VanDerWaalsContact C-N 3.25Å; C159-L161 PolarHBondContact O-N 2.8Å; C159-I162 PolarHBondContact O-N 3.39Å; C159-D163 WeakPolarHBondContact O-CB 3.49Å; C159-D163 PolarHBondContact O-N 2.86Å
160	N	96.6	Very high	95.9	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-34.4	178.4	-74	-30.3	0	0	0	113	N156 R157 I158 K164 Y217	N156-N160 VanDerWaalsContact O-CB 3.31Å; N156-N160 WeakPolarHBondContact O-CB 3.36Å; N156-N160 PolarHBondContact O-N 2.98Å; N156-N160 PolarHBondContact O-ND2 2.84Å; R157-N160 PolarHBondContact O-N 2.92Å; I158-N160 PolarHBondContact O-N 2.76Å; N160-K164 WeakPolarHBondContact O-CB 3.34Å; N160-K164 VanDerWaalsContact O-CG 3.23Å; N160-K164 WeakPolarHBondContact O-CG 3.12Å; N160-K164 PolarHBondContact O-N 2.84Å; N160-Y217 PolarHBondContact OD1-OH 2.73Å
161	L	96.8	Very high	95.8	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-45.4	176.3	-71.1	174.3	0	0	0	111.2	F47 L48 M90 R157 I158 C159 D163 K164 A165 L173 L177	F47-L161 HydrophobicContact CB-CD1 4.23Å; F47-L161 HydrophobicContact CB-CD2 4.37Å; L48-L161 HydrophobicContact CB-CD1 3.59Å; L48-L161 HydrophobicContact CD2-CD1 4.07Å; L48-L161 HydrophobicContact CG-CD1 4.45Å; M90-L161 HydrophobicContact CB-CD1 4.26Å; M90-L161 HydrophobicContact CE-CB 3.56Å; M90-L161 HydrophobicContact CE-CD1 4.18Å; M90-L161 HydrophobicContact SD-CB 4.07Å; M90-L161 HydrophobicContact SD-CD1 3.62Å; M90-L161 HydrophobicContact SD-CG 4.48Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.48Å; I158-L161 PolarHBondContact O-N 2.79Å; I158-L161 VanDerWaalsContact O-N 3.16Å; C159-L161 VanDerWaalsContact C-N 3.25Å; C159-L161 PolarHBondContact O-N 2.8Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.29Å; L161-K164 PolarHBondContact O-N 3.12Å; L161-A165 PolarHBondContact O-N 3.49Å; L161-L173 HydrophobicContact CB-CD1 4.34Å; L161-L173 HydrophobicContact CB-CD2 4.28Å; L161-L173 HydrophobicContact CD2-CD1 4.02Å; L161-L173 HydrophobicContact CD2-CD2 4.05Å; L161-L173 WeakPolarHBondContact O-CD2 2.74Å; L161-L177 HydrophobicContact CD2-CD1 4.4Å
162	I	97.5	Very high	95.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-47.7	174.6	-66.9	170.6	0	0	0	110.1	M90 M95 Y114 I117 C120 L132 I158 C159 K164 A165 T166	M90-I162 HydrophobicContact CE-CG1 3.93Å; M95-I162 HydrophobicContact CE-CD1 4.39Å; M95-I162 HydrophobicContact SD-CD1 3.89Å; M95-I162 HydrophobicContact SD-CG1 4.1Å; Y114-I162 HydrophobicContact CD1-CG1 4.33Å; Y114-I162 HydrophobicContact CE1-CG1 4.25Å; I117-I162 HydrophobicContact CD1-CD1 4.17Å; I117-I162 HydrophobicContact CD1-CG1 4.3Å; I117-I162 HydrophobicContact CD1-CG2 4.32Å; I117-I162 HydrophobicContact CG2-CG2 4.15Å; C120-I162 HydrophobicContact CB-CG2 4.3Å; L132-I162 HydrophobicContact CD2-CD1 3.85Å; I158-I162 HydrophobicContact CG2-CD1 3.73Å; I158-I162 HydrophobicContact CG2-CG1 4.38Å; I158-I162 WeakPolarHBondContact O-CG1 3.31Å; I158-I162 PolarHBondContact O-N 2.83Å; C159-I162 PolarHBondContact O-N 3.39Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.8Å; I162-A165 PolarHBondContact O-N 3.26Å; I162-A165 VanDerWaalsContact O-N 3.14Å; I162-T166 HydrophobicContact CG2-CG2 4.11Å; I162-T166 WeakPolarHBondContact O-CG2 3.42Å; I162-T166 PolarHBondContact O-N 2.75Å; I162-T166 PolarHBondContact O-OG1 3.01Å; I162-T166 VanDerWaalsContact O-OG1 3.07Å
163	D	95.6	Very high	95.4	Very high	55 Å²	55	53.6 Å²	53.6	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-57.7	-46.8	179	-69.5	-16.8	0	0	0	111	C159 L161 A165 T166 Q167	C159-D163 WeakPolarHBondContact O-CB 3.49Å; C159-D163 PolarHBondContact O-N 2.86Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.29Å; D163-A165 PolarHBondContact O-N 2.98Å; D163-T166 PolarHBondContact O-N 3.12Å; D163-T166 PolarHBondContact O-OG1 2.79Å; D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 VanDerWaalsContact O-CG 3.22Å; D163-Q167 WeakPolarHBondContact O-CG 3.35Å; D163-Q167 PolarHBondContact O-N 3.24Å
164	K	95.4	Very high	94.7	Very high	95 Å²	95	54.8 Å²	54.8	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-41.5	176.1	-77.2	174	-177.3	177.8	0	113.1	N160 L161 I162 L173 L177	N160-K164 WeakPolarHBondContact O-CB 3.34Å; N160-K164 VanDerWaalsContact O-CG 3.23Å; N160-K164 WeakPolarHBondContact O-CG 3.12Å; N160-K164 PolarHBondContact O-N 2.84Å; L161-K164 PolarHBondContact O-N 3.12Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.8Å; K164-L173 HydrophobicContact CB-CD2 3.92Å; K164-L177 HydrophobicContact CD-CD1 3.97Å
165	A	95.8	Very high	93.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.6	-47.3	178.4	0	0	0	0	0	110.7	Y114 L161 I162 D163 Q167 S168 F171 L173	Y114-A165 HydrophobicContact CD1-CB 3.98Å; Y114-A165 HydrophobicContact CD2-CB 3.42Å; Y114-A165 VanDerWaalsContact CD2-CB 3.42Å; Y114-A165 HydrophobicContact CE1-CB 4.45Å; Y114-A165 HydrophobicContact CE2-CB 3.95Å; Y114-A165 HydrophobicContact CG-CB 3.44Å; Y114-A165 VanDerWaalsContact CG-CB 3.44Å; L161-A165 PolarHBondContact O-N 3.49Å; I162-A165 PolarHBondContact O-N 3.26Å; I162-A165 VanDerWaalsContact O-N 3.14Å; D163-A165 PolarHBondContact O-N 2.98Å; A165-Q167 VanDerWaalsContact C-N 3.28Å; A165-Q167 PolarHBondContact O-N 3.39Å; A165-S168 WeakPolarHBondContact O-CB 3.32Å; A165-S168 PolarHBondContact O-N 2.59Å; A165-F171 CarbonylContact O-C 3.53Å; A165-F171 VanDerWaalsContact O-CA 3.28Å; A165-F171 WeakPolarHBondContact O-CA 3.44Å; A165-L173 HydrophobicContact CB-CD2 3.93Å; A165-L173 HydrophobicContact CB-CG 4.18Å
166	T	94	Very high	91.4	Very high	51 Å²	51	70 Å²	70	31%	0.313	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-20	-179	59.4	0	0	0	0	114.5	I162 D163 S168	I162-T166 HydrophobicContact CG2-CG2 4.11Å; I162-T166 WeakPolarHBondContact O-CG2 3.42Å; I162-T166 PolarHBondContact O-N 2.75Å; I162-T166 PolarHBondContact O-OG1 3.01Å; I162-T166 VanDerWaalsContact O-OG1 3.07Å; D163-T166 PolarHBondContact O-N 3.12Å; D163-T166 PolarHBondContact O-OG1 2.79Å; T166-S168 VanDerWaalsContact C-N 3.33Å
167	Q	92.9	Very high	89.3	Confident	150 Å²	150	69.7 Å²	69.7	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.1	171.1	-74.5	171.4	27.7	0	0	112.9	D163 A165	D163-Q167 WeakPolarHBondContact O-CB 3.45Å; D163-Q167 VanDerWaalsContact O-CG 3.22Å; D163-Q167 WeakPolarHBondContact O-CG 3.35Å; D163-Q167 PolarHBondContact O-N 3.24Å; A165-Q167 VanDerWaalsContact C-N 3.28Å; A165-Q167 PolarHBondContact O-N 3.39Å
168	S	93.1	Very high	87.2	Confident	38 Å²	38	72.3 Å²	72.3	27%	0.266	38%	0.375	S	S	.	.	S	Bend	trans	-81.9	135.7	173.3	-179.1	0	0	0	0	110	A165 T166 S170 F171 R172	A165-S168 WeakPolarHBondContact O-CB 3.32Å; A165-S168 PolarHBondContact O-N 2.59Å; T166-S168 VanDerWaalsContact C-N 3.33Å; S168-S170 PolarHBondContact O-N 2.98Å; S168-S170 VanDerWaalsContact O-N 3.08Å; S168-S170 PolarHBondContact OG-N 3.05Å; S168-S170 PolarHBondContact OG-OG 2.96Å; S168-F171 PolarHBondContact O-N 3.03Å; S168-R172 WeakPolarHBondContact CB-O 3.45Å
169	D	92.2	Very high	85.2	Confident	166 Å²	166	77.2 Å²	77.2	89%	0.888	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-28	172.2	-59.5	-28.7	0	0	0	112.8
170	S	93.4	Very high	83.1	Confident	71 Å²	71	82.3 Å²	82.3	50%	0.497	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.1	179.7	65	0	0	0	0	114.1	S168 R172	S168-S170 PolarHBondContact O-N 2.98Å; S168-S170 VanDerWaalsContact O-N 3.08Å; S168-S170 PolarHBondContact OG-N 3.05Å; S168-S170 PolarHBondContact OG-OG 2.96Å; S170-R172 WeakPolarHBondContact O-CG 3.1Å; S170-R172 PolarHBondContact O-N 3.26Å
171	F	93.1	Very high	81	Confident	79 Å²	79	83.5 Å²	83.5	35%	0.346	44%	0.437	S	S	.	.	S	Bend	trans	53.9	32.4	-174.3	-62.8	-87.3	0	0	0	113.8	Y114 E115 A165 S168	Y114-F171 WeakPolarHBondContact CD2-O 3.32Å; E115-F171 HydrophobicContact CB-CB 3.98Å; E115-F171 HydrophobicContact CB-CD1 4.01Å; E115-F171 HydrophobicContact CB-CD2 4.02Å; E115-F171 HydrophobicContact CB-CG 3.72Å; A165-F171 CarbonylContact O-C 3.53Å; A165-F171 VanDerWaalsContact O-CA 3.28Å; A165-F171 WeakPolarHBondContact O-CA 3.44Å; S168-F171 PolarHBondContact O-N 3.03Å
172	R	93.2	Very high	78.8	Confident	112 Å²	112	86.1 Å²	86.1	42%	0.423	45%	0.452	S	S	.	.			trans	-121.9	142.6	-175	-76.6	175.7	159.4	-144.4	-17	112.8	D92 D93 S168 S170 S174	D92-R172 CarbonylContact O-C 3.44Å; D92-R172 WeakPolarHBondContact O-CA 3.27Å; D92-R172 IonicContact OD2-CZ 3.69Å; D92-R172 IonicContact OD2-NH1 3.78Å; D92-R172 IonicContact OD2-NH2 3.82Å; D93-R172 HydrophobicContact CB-CG 3.87Å; D93-R172 IonicContact OD2-CZ 3.83Å; D93-R172 IonicContact OD2-NH2 2.88Å; D93-R172 PolarHBondContact OD2-NH2 2.82Å; S168-R172 WeakPolarHBondContact CB-O 3.45Å; S170-R172 WeakPolarHBondContact O-CG 3.1Å; S170-R172 PolarHBondContact O-N 3.26Å; R172-S174 PolarHBondContact O-N 3.16Å
173	L	90.9	Very high	76.6	Confident	9 Å²	9	90.5 Å²	90.5	5%	0.047	48%	0.475	C	S	.	.			trans	-71.2	111.8	165.3	-62	176.6	0	0	0	108.9	F47 F91 D92 Y114 L161 K164 A165	F47-L173 HydrophobicContact CB-CD1 3.98Å; F47-L173 HydrophobicContact CD1-CB 4.43Å; F47-L173 HydrophobicContact CD1-CD1 4.21Å; F47-L173 HydrophobicContact CD2-CB 4.15Å; F47-L173 HydrophobicContact CD2-CD1 3.63Å; F47-L173 HydrophobicContact CE1-CB 4.06Å; F47-L173 HydrophobicContact CE2-CB 3.78Å; F47-L173 HydrophobicContact CE2-CD1 4.13Å; F47-L173 HydrophobicContact CG-CB 4.46Å; F47-L173 HydrophobicContact CG-CD1 3.67Å; F47-L173 HydrophobicContact CZ-CB 3.71Å; F91-L173 VanDerWaalsContact O-CD1 3.31Å; F91-L173 WeakPolarHBondContact O-CD1 3.47Å; D92-L173 PolarHBondContact O-N 3.42Å; Y114-L173 HydrophobicContact CE2-CD1 4.21Å; Y114-L173 HydrophobicContact CE2-CG 4.07Å; L161-L173 HydrophobicContact CB-CD1 4.34Å; L161-L173 HydrophobicContact CB-CD2 4.28Å; L161-L173 HydrophobicContact CD2-CD1 4.02Å; L161-L173 HydrophobicContact CD2-CD2 4.05Å; L161-L173 WeakPolarHBondContact O-CD2 2.74Å; K164-L173 HydrophobicContact CB-CD2 3.92Å; A165-L173 HydrophobicContact CB-CD2 3.93Å; A165-L173 HydrophobicContact CB-CG 4.18Å
174	S	83.9	Confident	74.5	Confident	93 Å²	93	94.2 Å²	94.2	65%	0.65	50%	0.495	S	S	*	.			trans	-70.8	140.8	170.7	57.6	0	0	0	0	110.6	R172 K176	R172-S174 PolarHBondContact O-N 3.16Å; S174-K176 PolarHBondContact O-N 3.43Å
175	Q	66.6	Low	72.5	Confident	149 Å²	149	97.5 Å²	97.5	70%	0.696	52%	0.517	S	S	*	.	S	Bend	trans	-64.7	19	-175	-73.7	-174.1	-12.9	0	0	115.7	F47 L177	F47-Q175 HydrophobicContact CZ-CG 4.43Å; Q175-L177 VanDerWaalsContact C-N 3.28Å; Q175-L177 PolarHBondContact O-N 2.83Å
176	K	58.2	Low	70.2	Confident	192 Å²	192	104.8 Å²	104.8	84%	0.835	55%	0.548	S	S	*	.			trans	-87.8	19.8	-173.7	-142.7	176.7	-177.2	178.6	0	114.6	S174	S174-K176 PolarHBondContact O-N 3.43Å
177	L	54.3	Low	68.1	Low	66 Å²	66	108.8 Å²	108.8	35%	0.346	56%	0.564	S	S	.	*	S	Bend	trans	-116.4	126.1	179.2	-62.8	172	0	0	0	111.1	L161 K164 Q175 I179	L161-L177 HydrophobicContact CD2-CD1 4.4Å; K164-L177 HydrophobicContact CD-CD1 3.97Å; Q175-L177 VanDerWaalsContact C-N 3.28Å; Q175-L177 PolarHBondContact O-N 2.83Å; L177-I179 PolarHBondContact O-N 3.21Å
178	P	51.9	Low	65.6	Low	108 Å²	108	108.6 Å²	108.6	70%	0.701	57%	0.567	S	S	*	*			trans	-62.6	132.7	170.6	25.8	-31.3	0	0	0	109.5	I180	P178-I180 PolarHBondContact O-N 2.92Å; P178-I180 VanDerWaalsContact O-N 3.09Å
179	I	56.1	Low	63.5	Low	103 Å²	103	115.4 Å²	115.4	53%	0.528	59%	0.593	S	S	.	*			trans	-60.4	111.6	179	-54.2	170.5	0	0	0	108.8	H45 L177 C181	H45-I179 VanDerWaalsContact NE2-CD1 3.33Å; H45-I179 WeakPolarHBondContact NE2-CD1 3.34Å; H45-I179 WeakPolarHBondContact NE2-CG1 2.86Å; L177-I179 PolarHBondContact O-N 3.21Å; I179-C181 WeakPolarHBondContact CG2-SG 3.48Å; I179-C181 PolarHBondContact O-N 3.46Å
180	I	53	Low	61.3	Low	117 Å²	117	118 Å²	118	60%	0.6	59%	0.592	S	S	*	*			trans	-96.8	85.4	169.4	-54.9	175.7	0	0	0	107.5	P178 N182	P178-I180 PolarHBondContact O-N 2.92Å; P178-I180 VanDerWaalsContact O-N 3.09Å; I180-N182 PolarHBondContact O-N 3.32Å
181	C	54.4	Low	59.3	Low	80 Å²	80	121.1 Å²	121.1	54%	0.541	60%	0.602	S	S	.	*			trans	-65.1	126.4	167.4	-64.8	0	0	0	0	109.1	I179 D183	I179-C181 WeakPolarHBondContact CG2-SG 3.48Å; I179-C181 PolarHBondContact O-N 3.46Å; C181-D183 PolarHBondContact O-N 3.43Å; C181-D183 VanDerWaalsContact O-N 3.12Å
182	N	49.5	Very low	56.9	Low	73 Å²	73	124 Å²	124	39%	0.39	62%	0.621	S	S	.	*			trans	-87.4	55.7	175.8	-146.4	41.8	0	0	0	111	R157 I180 N184	R157-N182 PolarHBondContact NH2-OD1 2.81Å; R157-N182 VanDerWaalsContact NH2-OD1 3.12Å; I180-N182 PolarHBondContact O-N 3.32Å; N182-N184 PolarHBondContact O-N 3.29Å
183	D	51.5	Low	54.8	Low	93 Å²	93	126.5 Å²	126.5	50%	0.497	64%	0.643	S	S	.	*			trans	-87	85.6	169.4	-86.5	-9.2	0	0	0	108.6	C181 N185 K186	C181-D183 PolarHBondContact O-N 3.43Å; C181-D183 VanDerWaalsContact O-N 3.12Å; D183-N185 PolarHBondContact O-N 2.83Å; D183-K186 HydrophobicContact CB-CB 4.2Å; D183-K186 PolarHBondContact O-N 3.4Å
184	N	51.6	Low	53	Low	134 Å²	134	135.6 Å²	135.6	72%	0.717	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	10.1	173.3	-77.3	-13.4	0	0	0	114.2	N182	N182-N184 PolarHBondContact O-N 3.29Å
185	N	52.3	Low	51.3	Low	163 Å²	163	138.5 Å²	138.5	87%	0.872	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	7.3	179.1	-85.7	-21.9	0	0	0	115.4	D183	D183-N185 PolarHBondContact O-N 2.83Å
186	K	48.7	Very low	50.5	Low	153 Å²	153	142.9 Å²	142.9	67%	0.665	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	4.1	-178.3	-69.1	-172.9	178.8	178.7	0	116.7	D183 N188	D183-K186 HydrophobicContact CB-CB 4.2Å; D183-K186 PolarHBondContact O-N 3.4Å; K186-N188 PolarHBondContact O-N 2.86Å
187	Q	48.7	Very low	50	Low	136 Å²	136	138.4 Å²	138.4	64%	0.636	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	1.3	-175.3	-123	173.5	8.2	0	0	116
188	N	41.2	Very low	49.8	Very low	145 Å²	145	144.4 Å²	144.4	78%	0.775	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-1.4	-179.2	-77.1	-23.4	0	0	0	116	K186	K186-N188 PolarHBondContact O-N 2.86Å
189	F	48.8	Very low	49.7	Very low	182 Å²	182	144.5 Å²	144.5	80%	0.798	73%	0.731	S	S	*	*	S	Bend	trans	-111.8	-4.5	-173.6	-85	-81	0	0	0	116.9
190	Y	47.1	Very low	49.4	Very low	221 Å²	221	145.2 Å²	145.2	87%	0.867	74%	0.74	S	S	*	*	S	Bend	trans	-113.9	5.3	-177	-75.1	-80.3	0	0	0	115.7
191	L	50.1	Low	49.4	Very low	135 Å²	135	148 Å²	148	71%	0.707	75%	0.751	S	S	*	*	S	Bend	trans	-101.8	2.7	179.7	-93.6	146.2	0	0	0	115.2
192	N	42.2	Very low	49.2	Very low	140 Å²	140	149.8 Å²	149.8	75%	0.749	76%	0.763	S	S	*	*	S	Bend	trans	-101.9	13	-172.7	-89.4	-4	0	0	0	116.8
193	N	50.6	Low	49.1	Very low	164 Å²	164	153.1 Å²	153.1	88%	0.877	79%	0.786	S	S	*	*	S	Bend	trans	-128.3	21.2	-175.7	-112.7	-7.6	0	0	0	116.8
194	K	53.3	Low	48.9	Very low	201 Å²	201	160 Å²	160	87%	0.874	81%	0.805	S	S	*	*	S	Bend	trans	-126.3	10.5	173.2	-87	-173.8	175.9	179.3	0	116	R196	K194-R196 PolarHBondContact O-N 3.14Å
195	N	48.2	Very low	48.7	Very low	153 Å²	153	161.5 Å²	161.5	82%	0.818	81%	0.813	S	S	*	*			trans	-98.8	73.4	178.2	-64.6	-19.5	0	0	0	111.2
196	R	48.9	Very low	48.2	Very low	241 Å²	241	159.3 Å²	159.3	91%	0.909	81%	0.811	S	S	*	*	S	Bend	trans	-148.1	117.7	160.3	-143.3	173.2	-175.3	173	0.6	108.1	K194	K194-R196 PolarHBondContact O-N 3.14Å
197	A	48.4	Very low	47.8	Very low	99 Å²	99	159.8 Å²	159.8	82%	0.818	82%	0.82	S	S	*	*	S	Bend	trans	80.3	72.1	-177.9	0	0	0	0	0	116.9
198	M	49.2	Very low	47.6	Very low	191 Å²	191	160.7 Å²	160.7	94%	0.941	83%	0.828	S	S	*	*			trans	-140.8	129.4	146.9	-86.8	-73.6	-81.6	0	0	108.5
199	S	49.5	Very low	47.7	Very low	110 Å²	110	163.9 Å²	163.9	77%	0.769	83%	0.829	S	S	*	*			trans	-52.3	141.2	-173.8	-169.1	0	0	0	0	113.8	E201	S199-E201 PolarHBondContact O-N 3.37Å
200	V	50.8	Low	47.1	Very low	118 Å²	118	160.3 Å²	160.3	72%	0.715	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.4	123.4	156.2	-174	0	0	0	0	107.1
201	E	52.9	Low	46.6	Very low	177 Å²	177	156.6 Å²	156.6	83%	0.827	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	157	-6.3	157.2	-108.2	53.7	-110	0	0	114.9	S199	S199-E201 PolarHBondContact O-N 3.37Å
202	S	49.2	Very low	45.6	Very low	116 Å²	116	155.2 Å²	155.2	81%	0.811	82%	0.821	S	S	*	*			trans	-111.3	13.1	-172.9	-158.6	0	0	0	0	117.1	R204	S202-R204 PolarHBondContact O-N 3.07Å
203	V	48.6	Very low	45.3	Very low	143 Å²	143	156.9 Å²	156.9	87%	0.867	83%	0.829	S	S	*	*			trans	-95.6	85.6	180	-173.9	0	0	0	0	110.1
204	R	47.7	Very low	44.7	Very low	237 Å²	237	157.4 Å²	157.4	89%	0.894	83%	0.83	S	S	*	*	S	Bend	trans	-155.9	0.3	164.7	-118.5	169.5	-170.5	167.2	3.5	120.4	S202	S202-R204 PolarHBondContact O-N 3.07Å
205	N	46	Very low	43.8	Very low	167 Å²	167	149.9 Å²	149.9	89%	0.893	81%	0.809	S	S	*	*	S	Bend	trans	-124.6	24	-170.7	-75.9	-9.2	0	0	0	117.9
206	S	41.6	Very low	43.3	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	79%	0.789	S	S	*	*			trans	-128.3	50.9	-179.2	52	0	0	0	0	114.4
207	L	41.4	Very low	43.1	Very low	164 Å²	164	140.9 Å²	140.9	86%	0.859	77%	0.77	S	S	*	*			trans	-142.2	107.6	165.7	-77.2	169.9	0	0	0	108.2
208	L	43.6	Very low	43	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	75%	0.745	S	S	*	*			trans	147.1	118.9	168.6	-82.6	157.7	0	0	0	105.8
209	R	44.7	Very low	42.6	Very low	212 Å²	212	135.4 Å²	135.4	80%	0.8	73%	0.73	S	S	*	*			cis	-159.9	153.9	0.8	-82	-178.1	170.9	179.6	-3.6	106.3
210	P	36.1	Very low	42.2	Very low	107 Å²	107	140 Å²	140	70%	0.695	73%	0.732	S	S	*	*			trans	-75.5	152.8	163.1	34.7	-31	0	0	0	109.1
211	N	35.5	Very low	42	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	71%	0.712	S	S	*	*			trans	170.5	120.3	142.7	-83.5	-16.5	0	0	0	112.4
212	S	30.3	Very low	41.5	Very low	107 Å²	107	134 Å²	134	75%	0.748	70%	0.699	S	S	*	*			trans	40.6	94.3	141.8	62	0	0	0	0	119.1
213	L	34.9	Very low	41.2	Very low	174 Å²	174	137.1 Å²	137.1	91%	0.911	70%	0.698	S	S	*	*			trans	-129.5	78.4	154	-90.8	158.5	0	0	0	108.7	G215	L213-G215 PolarHBondContact O-N 2.82Å; L213-G215 VanDerWaalsContact O-N 3.14Å
214	I	38.2	Very low	41	Very low	176 Å²	176	135 Å²	135	90%	0.903	69%	0.685	S	S	*	*			trans	-75.4	86	157.8	-72.4	160.2	0	0	0	104.9
215	G	33.7	Very low	40.9	Very low	42 Å²	42	125.6 Å²	125.6	43%	0.433	66%	0.656	S	S	.	*			trans	-96.1	138.8	172.2	0	0	0	0	0	109.8	L213 Y217	L213-G215 PolarHBondContact O-N 2.82Å; L213-G215 VanDerWaalsContact O-N 3.14Å; G215-Y217 PolarHBondContact O-N 3.15Å
216	D	37.5	Very low	40.6	Very low	74 Å²	74	123.1 Å²	123.1	40%	0.396	64%	0.642	S	S	.	*			trans	-64	98.3	179.2	-90.1	-29.8	0	0	0	112.9	R124 S218 E219	R124-D216 IonicContact CZ-OD1 3.71Å; R124-D216 VanDerWaalsContact CZ-OD1 3.23Å; R124-D216 IonicContact CZ-OD2 2.62Å; R124-D216 IonicContact NE-OD1 3.19Å; R124-D216 PolarHBondContact NE-OD1 3.19Å; R124-D216 IonicContact NH2-OD1 2.59Å; R124-D216 PolarHBondContact NH2-OD1 3.29Å; R124-D216 IonicContact NH2-OD2 2.75Å; R124-D216 PolarHBondContact NH2-OD2 3.26Å; D216-S218 PolarHBondContact O-N 3.37Å; D216-E219 PolarHBondContact O-N 3.15Å; D216-E219 VanDerWaalsContact O-N 3.13Å
217	Y	45.4	Very low	40.6	Very low	131 Å²	131	126.2 Å²	126.2	51%	0.514	64%	0.644	S	S	.	*	H	α-helix	trans	-59.1	-14.2	173.3	-90.6	-93.1	0	0	0	113.6	N160 G215	N160-Y217 PolarHBondContact OD1-OH 2.73Å; G215-Y217 PolarHBondContact O-N 3.15Å
218	S	45.6	Very low	40.5	Very low	42 Å²	42	121.7 Å²	121.7	29%	0.294	63%	0.63	S	S	.	*	H	α-helix	trans	-77	-19	176.1	58.3	0	0	0	0	114.8	D216	D216-S218 PolarHBondContact O-N 3.37Å
219	E	41	Very low	40.4	Very low	134 Å²	134	120.1 Å²	120.1	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-91.9	-26.4	177.9	-81.8	-170	153.1	0	0	113.1	D216 S221 K222	D216-E219 PolarHBondContact O-N 3.15Å; D216-E219 VanDerWaalsContact O-N 3.13Å; E219-S221 VanDerWaalsContact C-N 3.34Å; E219-S221 PolarHBondContact O-N 3.06Å; E219-K222 PolarHBondContact O-N 2.7Å
220	Y	40.5	Very low	39.7	Very low	205 Å²	205	112.5 Å²	112.5	80%	0.804	61%	0.614	S	S	*	*	H	α-helix	trans	-73.1	-25.4	176.5	-107.3	-91.6	0	0	0	113.4
221	S	47	Very low	39.6	Very low	41 Å²	41	111.9 Å²	111.9	29%	0.287	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-18.4	172.2	165.7	0	0	0	0	113.5	E219 K223 T224 C225	E219-S221 VanDerWaalsContact C-N 3.34Å; E219-S221 PolarHBondContact O-N 3.06Å; S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact O-N 2.88Å; S221-T224 PolarHBondContact O-N 2.68Å; S221-C225 WeakPolarHBondContact O-CB 3.23Å; S221-C225 PolarHBondContact O-N 2.66Å; S221-C225 PolarHBondContact O-SG 2.97Å; S221-C225 VanDerWaalsContact O-SG 3.33Å; S221-C225 PolarHBondContact OG-SG 2.8Å
222	K	43.7	Very low	39.8	Very low	129 Å²	129	116.1 Å²	116.1	56%	0.561	62%	0.618	S	S	*	*	H	α-helix	trans	-66.4	-32.4	179.5	-98	-174.3	165.4	-177	0	113.1	E219 T224 D226	E219-K222 PolarHBondContact O-N 2.7Å; K222-T224 VanDerWaalsContact C-N 3.3Å; K222-T224 PolarHBondContact O-N 2.87Å; K222-D226 PolarHBondContact O-N 3.31Å
223	K	42.2	Very low	40.1	Very low	181 Å²	181	121.1 Å²	121.1	79%	0.787	62%	0.62	S	S	*	*	H	α-helix	trans	-77.6	-11.2	-177.6	-75.9	-172.7	175.7	-176.5	0	114.6	S221	S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact O-N 2.88Å
224	T	45.3	Very low	40.4	Very low	98 Å²	98	118.6 Å²	118.6	60%	0.601	61%	0.611	S	S	*	*	H	α-helix	trans	-113.5	-16.9	177	42.5	0	0	0	0	113.1	S221 K222	S221-T224 PolarHBondContact O-N 2.68Å; K222-T224 VanDerWaalsContact C-N 3.3Å; K222-T224 PolarHBondContact O-N 2.87Å
225	C	43.9	Very low	40.3	Very low	41 Å²	41	116.3 Å²	116.3	28%	0.277	61%	0.606	S	S	.	*	H	α-helix	trans	-101	-30	-178.4	-60.6	0	0	0	0	114.5	S221 V229	S221-C225 WeakPolarHBondContact O-CB 3.23Å; S221-C225 PolarHBondContact O-N 2.66Å; S221-C225 PolarHBondContact O-SG 2.97Å; S221-C225 VanDerWaalsContact O-SG 3.33Å; S221-C225 PolarHBondContact OG-SG 2.8Å; C225-V229 WeakPolarHBondContact O-CG2 3.23Å
226	D	40.3	Very low	40.7	Very low	114 Å²	114	123.5 Å²	123.5	61%	0.61	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-18.9	-175.5	-68	-20.6	0	0	0	113.2	K222	K222-D226 PolarHBondContact O-N 3.31Å
227	E	41.5	Very low	40.9	Very low	182 Å²	182	125.1 Å²	125.1	85%	0.85	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-10	177.1	-76.3	-177.2	163.5	0	0	114.2
228	A	39.1	Very low	40.8	Very low	68 Å²	68	123.8 Å²	123.8	56%	0.562	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-4.8	178.1	0	0	0	0	0	114.3	G230	A228-G230 PolarHBondContact O-N 2.86Å; A228-G230 VanDerWaalsContact O-N 3.15Å
229	V	41.2	Very low	40.6	Very low	121 Å²	121	130.1 Å²	130.1	73%	0.733	68%	0.677	S	S	*	*			trans	-90.5	54.7	172.8	-171.2	0	0	0	0	109.1	C225 S231	C225-V229 WeakPolarHBondContact O-CG2 3.23Å; V229-S231 PolarHBondContact O-N 3.46Å
230	G	31.4	Very low	40.9	Very low	52 Å²	52	133.1 Å²	133.1	54%	0.536	69%	0.689	S	S	.	*			trans	-70.3	108.7	158.8	0	0	0	0	0	107.9	A228 W232	A228-G230 PolarHBondContact O-N 2.86Å; A228-G230 VanDerWaalsContact O-N 3.15Å; G230-W232 VanDerWaalsContact O-CD1 3.29Å; G230-W232 PolarHBondContact O-N 3.04Å
231	S	33.8	Very low	41.1	Very low	94 Å²	94	132 Å²	132	66%	0.657	69%	0.688	S	S	*	*			trans	-5.8	85.3	164.3	170.2	0	0	0	0	115	V229 R233	V229-S231 PolarHBondContact O-N 3.46Å; S231-R233 PolarHBondContact O-N 3.38Å
232	W	38.9	Very low	41	Very low	233 Å²	233	138.3 Å²	138.3	88%	0.883	72%	0.717	S	S	*	*			trans	-75	79.7	167.6	-69	92.1	0	0	0	108.3	G230 V234	G230-W232 VanDerWaalsContact O-CD1 3.29Å; G230-W232 PolarHBondContact O-N 3.04Å; W232-V234 PolarHBondContact O-N 3.32Å
233	R	37.8	Very low	41.2	Very low	212 Å²	212	138.6 Å²	138.6	80%	0.8	73%	0.73	S	S	*	*			trans	-72.3	110.4	158.8	-71.4	-171.1	-164	-141.9	3.9	106.2	S231 T235	S231-R233 PolarHBondContact O-N 3.38Å; R233-T235 PolarHBondContact O-N 3.13Å
234	V	40.6	Very low	41.6	Very low	120 Å²	120	135.4 Å²	135.4	73%	0.727	73%	0.731	S	S	*	*			trans	-63.8	90.1	167.5	-179.3	0	0	0	0	107.6	W232 K236	W232-V234 PolarHBondContact O-N 3.32Å; V234-K236 PolarHBondContact O-N 3.14Å
235	T	37.1	Very low	41.5	Very low	128 Å²	128	136.4 Å²	136.4	79%	0.785	74%	0.739	S	S	*	*			trans	-68.8	107.2	163.9	19.2	0	0	0	0	107.2	R233 S237	R233-T235 PolarHBondContact O-N 3.13Å; T235-S237 PolarHBondContact O-N 3.02Å
236	K	40.8	Very low	42.1	Very low	193 Å²	193	143.5 Å²	143.5	84%	0.839	77%	0.765	S	S	*	*			trans	-57	109.9	167.2	-73.8	-179.5	174.1	-178.3	0	108.2	V234 S238	V234-K236 PolarHBondContact O-N 3.14Å; K236-S238 PolarHBondContact O-N 3.5Å
237	S	41.3	Very low	43	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	77%	0.771	S	S	*	*			trans	-70.2	112.8	167.4	57.2	0	0	0	0	108.6	T235	T235-S237 PolarHBondContact O-N 3.02Å
238	S	43.1	Very low	43.2	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	77%	0.768	S	S	*	*			trans	-64.1	127.3	167.9	50.5	0	0	0	0	110.8	K236	K236-S238 PolarHBondContact O-N 3.5Å
239	E	43.1	Very low	43.9	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	78%	0.784	S	S	*	*			trans	33.8	94.1	147.4	-62	-178.6	176.8	0	0	118	K241	E239-K241 PolarHBondContact O-N 3.17Å
240	F	47.4	Very low	44.1	Very low	198 Å²	198	151.9 Å²	151.9	87%	0.868	79%	0.79	S	S	*	*			trans	-76.9	103.1	155.2	-92.4	-88	0	0	0	109.4
241	K	45	Very low	44.9	Very low	181 Å²	181	157.4 Å²	157.4	79%	0.787	81%	0.807	S	S	*	*			trans	-74.8	116.3	158.6	-83.3	179.1	177.1	174.9	0	108.5	E239 T243	E239-K241 PolarHBondContact O-N 3.17Å; K241-T243 PolarHBondContact O-N 3.5Å
242	L	43.6	Very low	45.4	Very low	173 Å²	173	155.8 Å²	155.8	91%	0.906	81%	0.806	S	S	*	*			trans	-62.8	119.5	165.7	-107	81.6	0	0	0	109.6
243	T	47.7	Very low	45.8	Very low	136 Å²	136	151.3 Å²	151.3	83%	0.834	80%	0.799	S	S	*	*			trans	-124.9	139.4	153.7	43.2	0	0	0	0	108.8	K241	K241-T243 PolarHBondContact O-N 3.5Å
244	S	52.1	Low	46.5	Very low	113 Å²	113	148 Å²	148	79%	0.79	79%	0.793	S	S	*	*			trans	-71.8	159.5	-164.5	57.9	0	0	0	0	114.5
245	P	42.5	Very low	47.1	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	79%	0.787	S	S	*	*			trans	-94.4	132.1	-174.2	34.2	-28.6	0	0	0	112.3
246	K	56.9	Low	47.8	Very low	189 Å²	189	150 Å²	150	82%	0.822	79%	0.786	S	S	*	*			trans	-143.8	118.8	154.9	-77	-167.2	176.4	178.1	0	111.4
247	D	58.2	Low	48.3	Very low	139 Å²	139	149 Å²	149	74%	0.743	78%	0.781	S	S	*	*			trans	67.2	89.4	140.8	-50	-32.2	0	0	0	121.2
248	I	46.1	Very low	48.7	Very low	151 Å²	151	149.8 Å²	149.8	77%	0.774	78%	0.776	S	S	*	*				18.5	120.8	126.3	-55.3	164.9	0	0	0	117.5
249	K	54.6	Low	49	Very low	209 Å²	209	153.6 Å²	153.6	91%	0.909	78%	0.782	S	S	*	*				-164.1	134.4	126.5	-106.5	170	-172.4	-178	0	113.3
250	L	43.8	Very low	49.1	Very low	163 Å²	163	154.5 Å²	154.5	85%	0.853	78%	0.784	S	S	*	*			trans	-76.2	172	-179	-83.4	141.7	0	0	0	114.2
251	N	47.8	Very low	49.3	Very low	167 Å²	167	150.9 Å²	150.9	89%	0.893	78%	0.783	S	S	*	*			trans	91.7	133.9	171	-91.4	-4.4	0	0	0	116.2
252	G	44.7	Very low	49.2	Very low	61 Å²	61	148 Å²	148	63%	0.629	78%	0.78	S	S	*	*			cis	170.8	149.7	0.9	0	0	0	0	0	110
253	N	48.8	Very low	49.3	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	78%	0.776	S	S	*	*			trans	65.2	119.5	152.7	-74.4	20.9	0	0	0	122.6
254	E	50.6	Low	49.2	Very low	142 Å²	142	149.7 Å²	149.7	66%	0.664	78%	0.776	S	S	*	*				98.7	111.4	117.7	-78.3	-177.5	-141.4	0	0	121.2
255	N	53.5	Low	48.6	Very low	113 Å²	113	155.1 Å²	155.1	60%	0.604	78%	0.78	S	S	*	*				97.4	127.6	116	-76.5	-24.7	0	0	0	121.5
256	K	52.8	Low	49	Very low	178 Å²	178	155 Å²	155	77%	0.774	78%	0.776	S	S	*	*			trans	76.2	146.6	145	-69.8	169.3	-175.6	172.1	0	115.9
257	K	51	Low	48.6	Very low	170 Å²	170	152 Å²	152	74%	0.739	77%	0.774	S	S	*	*			cis	-169	143.6	9.2	-122.6	-169	170.3	-178.4	0	107.7
258	I	48.6	Very low	47.8	Very low	125 Å²	125	150.3 Å²	150.3	64%	0.641	77%	0.773	S	S	*	*				48.9	128.6	129.3	-51.3	171.2	0	0	0	121.4
259	E	49.9	Very low	48.4	Very low	185 Å²	185	150.7 Å²	150.7	86%	0.864	78%	0.775	S	S	*	*				159.1	109.4	124.4	-86.1	-171.5	161.5	0	0	109.2
260	K	45.6	Very low	47.7	Very low	193 Å²	193	146.2 Å²	146.2	84%	0.839	77%	0.767	S	S	*	*				57.6	105	70.5	-75.4	-165.8	-179.5	-177.5	0	116.9
261	S	51.3	Low	48.1	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	77%	0.768	S	S	*	*			trans	-173.2	120.6	141.1	-82.7	0	0	0	0	107.5
262	T	42.7	Very low	48.1	Very low	121 Å²	121	146.9 Å²	146.9	74%	0.742	77%	0.765	S	S	*	*			cis	86.2	105.6	41.9	-53.7	0	0	0	0	114.2
263	M	46.8	Very low	48.4	Very low	163 Å²	163	150.5 Å²	150.5	80%	0.803	78%	0.775	S	S	*	*			trans	70.2	128.9	147.3	-71.8	-160.8	130	0	0	123.2
264	Q	45.8	Very low	48.4	Very low	182 Å²	182	150.6 Å²	150.6	85%	0.85	78%	0.775	S	S	*	*				160.6	108.1	109.1	-83.4	-177.5	-8.4	0	0	107.7
265	R	39.4	Very low	47.8	Very low	227 Å²	227	148.7 Å²	148.7	86%	0.857	78%	0.777	S	S	*	*				45.3	122.2	84.3	-151.5	-176.5	-165.3	165.5	4.6	113.5
266	V	49.9	Very low	47.7	Very low	117 Å²	117	150 Å²	150	71%	0.709	79%	0.79	S	S	*	*				160.7	123.6	121.8	161.9	0	0	0	0	113.3
267	T	48.4	Very low	47.6	Very low	126 Å²	126	149.2 Å²	149.2	77%	0.773	79%	0.789	S	S	*	*			trans	62.2	126	148.6	50.7	0	0	0	0	126
268	S	41.4	Very low	48	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	80%	0.795	S	S	*	*			trans	-56.5	148.4	151.8	47	0	0	0	0	117.4
269	I	58.7	Low	47.7	Very low	160 Å²	160	147 Å²	147	82%	0.821	80%	0.798	S	S	*	*			trans	-149.9	137	142	-56.6	-176.4	0	0	0	109.1
270	P	41.2	Very low	47.7	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	80%	0.799	S	S	*	*			trans	-99	151	173.3	37	-28.8	0	0	0	112.5
271	L	52.2	Low	48.2	Very low	165 Å²	165	147.8 Å²	147.8	86%	0.864	80%	0.799	S	S	*	*			trans	-130.6	112.8	168.1	-88.4	160.8	0	0	0	110.5
272	Q	46.1	Very low	47.8	Very low	178 Å²	178	151 Å²	151	83%	0.832	80%	0.8	S	S	*	*			trans	-87	135.6	156.9	-70.7	-173	-37.4	0	0	108.5
273	V	52.5	Low	48.3	Very low	138 Å²	138	151.1 Å²	151.1	84%	0.836	80%	0.8	S	S	*	*			trans	-149.2	145.3	147.3	-167.6	0	0	0	0	110.1
274	N	47	Very low	48.2	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	80%	0.796	S	S	*	*			trans	-80.8	149.3	-161.5	-64	-38.9	0	0	0	116.4
275	S	38.8	Very low	48.1	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	79%	0.793	S	S	*	*				18.1	126.2	129.8	154	0	0	0	0	119.3
276	T	50.9	Low	48.5	Very low	141 Å²	141	145 Å²	145	87%	0.865	79%	0.792	S	S	*	*			trans	-145.4	125	141.1	-51.7	0	0	0	0	110.4
277	Q	51.8	Low	48.5	Very low	162 Å²	162	145.2 Å²	145.2	76%	0.757	80%	0.799	S	S	*	*			trans	-81.7	148.1	173.6	-62	171.5	4.4	0	0	110.4
278	T	59.1	Low	48.4	Very low	141 Å²	141	143 Å²	143	87%	0.865	79%	0.794	S	S	*	*			trans	-159.8	132.6	143.6	35.3	0	0	0	0	109.9
279	P	42.8	Very low	48.7	Very low	108 Å²	108	144.7 Å²	144.7	70%	0.701	80%	0.795	S	S	*	*			trans	-124.5	131.4	163.7	35.3	-21.8	0	0	0	111.6
280	F	50.1	Low	48	Very low	203 Å²	203	144.5 Å²	144.5	89%	0.89	80%	0.795	S	S	*	*			trans	-175.3	139.9	164.1	-90.1	-65.2	0	0	0	104.9
281	K	54.5	Low	48.1	Very low	191 Å²	191	146.8 Å²	146.8	83%	0.83	80%	0.8	S	S	*	*			cis	-163.8	155.4	27.3	-111.9	167.7	-178.5	-179.6	0	108.5
282	E	44	Very low	47.7	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	79%	0.79	S	S	*	*			trans	-103.9	130.9	172.7	177.9	179.4	-152.5	0	0	108.9
283	V	53.8	Low	47.5	Very low	124 Å²	124	141.7 Å²	141.7	75%	0.752	79%	0.785	S	S	*	*			trans	-160.1	104.8	163.6	177.8	0	0	0	0	107.1
284	T	44.1	Very low	47.3	Very low	115 Å²	115	144.4 Å²	144.4	71%	0.706	79%	0.791	S	S	*	*				83.9	111.3	94.4	-38.3	0	0	0	0	116
285	D	44.2	Very low	47.4	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	79%	0.789	S	S	*	*			trans	21.5	158.8	142.6	-65	-39.5	0	0	0	125.3
286	E	47.8	Very low	47.8	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	80%	0.798	S	S	*	*			trans	89.1	109.1	158	-58.9	-165.7	149.5	0	0	117.9
287	S	50	Low	47.7	Very low	123 Å²	123	149.6 Å²	149.6	86%	0.86	79%	0.79	S	S	*	*				172.4	134.2	98.1	40.9	0	0	0	0	112.1
288	A	44.5	Very low	47.6	Very low	79 Å²	79	153 Å²	153	65%	0.653	80%	0.798	S	S	*	*			trans	-72.1	154.9	173.7	0	0	0	0	0	111.8
289	N	48.2	Very low	46.9	Very low	139 Å²	139	154 Å²	154	74%	0.743	80%	0.798	S	S	*	*				153.6	146.5	119.7	-75.9	-32.4	0	0	0	113
290	N	44.8	Very low	47.1	Very low	155 Å²	155	152.3 Å²	152.3	83%	0.829	80%	0.8	S	S	*	*			trans	99.8	91.5	152.7	-51.6	-38.6	0	0	0	119.3
291	L	42.1	Very low	47.3	Very low	164 Å²	164	149.4 Å²	149.4	86%	0.859	80%	0.799	S	S	*	*			trans	-66	173.9	133.2	-122.6	83.5	0	0	0	109.1
292	P	44.5	Very low	46.9	Very low	100 Å²	100	150.4 Å²	150.4	65%	0.649	80%	0.803	S	S	*	*			cis	-148.6	-176	23.3	35.4	-10.5	0	0	0	117.6
293	N	42	Very low	47.4	Very low	135 Å²	135	147 Å²	147	72%	0.722	80%	0.8	S	S	*	*			trans	78.9	114.1	141	-99.3	-18.5	0	0	0	120.7
294	M	47.6	Very low	47.3	Very low	196 Å²	196	150.2 Å²	150.2	97%	0.966	81%	0.807	S	S	*	*				-152.8	143.9	122	-125	-165.5	168.5	0	0	113
295	K	49.4	Very low	48	Very low	164 Å²	164	154.3 Å²	154.3	71%	0.713	82%	0.815	S	S	*	*			trans	-94	154.8	-170.7	-64.2	167.3	170.5	174.2	0	111.4
296	E	47.8	Very low	48.4	Very low	190 Å²	190	152.7 Å²	152.7	89%	0.888	81%	0.813	S	S	*	*			trans	-177.9	100.8	144.1	-104.7	168.7	-170.3	0	0	107.2
297	I	49.2	Very low	48.2	Very low	138 Å²	138	152.1 Å²	152.1	71%	0.708	82%	0.816	S	S	*	*				44.9	101.2	78.7	-49	179.7	0	0	0	113.7
298	Y	49.5	Very low	48.6	Very low	232 Å²	232	156.1 Å²	156.1	91%	0.91	82%	0.818	S	S	*	*			trans	-156.3	118.4	136.1	-111.8	-80.7	0	0	0	110.7
299	N	44.4	Very low	49.3	Very low	163 Å²	163	160.1 Å²	160.1	87%	0.872	83%	0.827	S	S	*	*			trans	-93.1	143.2	169	-80.1	-35.5	0	0	0	109.1
300	G	47.5	Very low	49.6	Very low	73 Å²	73	159.2 Å²	159.2	75%	0.753	83%	0.829	S	S	*	*			trans	-162	86.3	177.2	0	0	0	0	0	114
301	T	53.4	Low	50	Low	141 Å²	141	162.9 Å²	162.9	87%	0.865	83%	0.831	S	S	*	*			trans	11	119.4	152.4	30.7	0	0	0	0	122.5
302	K	46.5	Very low	50.4	Low	212 Å²	212	162.6 Å²	162.6	92%	0.922	83%	0.829	S	S	*	*			trans	-8.4	130.7	141	-59.3	174.6	179.7	178.6	0	118.1
303	S	54.6	Low	50.6	Low	116 Å²	116	166.9 Å²	166.9	81%	0.811	84%	0.837	S	S	*	*			trans	-153.9	121.2	140.8	-170.7	0	0	0	0	110.8
304	Q	51.8	Low	51	Low	192 Å²	192	166.9 Å²	166.9	90%	0.897	84%	0.836	S	S	*	*			trans	-77.6	135	176.1	-73.2	174.2	-35.9	0	0	110.5
305	K	57.2	Low	50.8	Low	200 Å²	200	163.5 Å²	163.5	87%	0.87	82%	0.822	S	S	*	*			trans	-141.2	151.2	158.5	-89.2	-170.6	-178.3	176.5	0	111
306	P	54.5	Low	50.9	Low	113 Å²	113	164.4 Å²	164.4	73%	0.734	83%	0.825	S	S	*	*			trans	-89.8	146.6	-153.1	34.4	-34.3	0	0	0	114.4
307	N	42.9	Very low	50.6	Low	170 Å²	170	159.4 Å²	159.4	91%	0.909	81%	0.811	S	S	*	*			trans	14.6	100	150.7	-61.4	-16.1	0	0	0	117.5
308	K	58.2	Low	50.5	Low	207 Å²	207	159.7 Å²	159.7	90%	0.9	81%	0.812	S	S	*	*			trans	-116.5	131.4	153.9	-85.6	-178.8	176.4	177.8	0	109.3
309	L	59.9	Low	50.2	Low	162 Å²	162	154.6 Å²	154.6	85%	0.848	81%	0.805	S	S	*	*			trans	-41.4	148.1	-179.9	-71.2	152.1	0	0	0	113.7	R311	L309-R311 PolarHBondContact O-N 3.09Å
310	P	53	Low	50.3	Low	121 Å²	121	154.9 Å²	154.9	79%	0.786	80%	0.795	S	S	*	*			trans	-63.5	106.8	-178.5	26.3	-32.2	0	0	0	110	I312	P310-I312 PolarHBondContact O-N 3.29Å
311	R	53.9	Low	50.1	Low	232 Å²	232	156 Å²	156	88%	0.875	79%	0.789	S	S	*	*			trans	-67.7	113.7	159.2	-85.9	-177.1	175	176.1	-2.5	106.9	L309 K313	L309-R311 PolarHBondContact O-N 3.09Å; R311-K313 VanDerWaalsContact C-N 3.32Å; R311-K313 PolarHBondContact O-N 3.18Å
312	I	50.3	Low	50	Low	157 Å²	157	155.8 Å²	155.8	81%	0.805	77%	0.773	S	S	*	*			trans	-55.1	101.1	163.3	-61.7	169.1	0	0	0	106.3	P310 I314	P310-I312 PolarHBondContact O-N 3.29Å; I312-I314 HydrophobicContact CG2-CG1 4.33Å; I312-I314 PolarHBondContact O-N 3.18Å
313	K	48.9	Very low	50	Low	190 Å²	190	154.1 Å²	154.1	83%	0.826	77%	0.766	S	S	*	*			trans	-76.8	99.5	167.1	-71	-175.6	-179.6	179.9	0	105.2	R311 D315	R311-K313 VanDerWaalsContact C-N 3.32Å; R311-K313 PolarHBondContact O-N 3.18Å; K313-D315 VanDerWaalsContact C-N 3.32Å; K313-D315 PolarHBondContact O-N 3.33Å
314	I	50.5	Low	50	Low	135 Å²	135	152 Å²	152	69%	0.692	75%	0.745	S	S	*	*			trans	-61.3	106.2	161	-60.9	172.4	0	0	0	104.8	I312 K316	I312-I314 HydrophobicContact CG2-CG1 4.33Å; I312-I314 PolarHBondContact O-N 3.18Å; I314-K316 VanDerWaalsContact C-N 3.32Å; I314-K316 HydrophobicContact CG2-CG 4.31Å; I314-K316 PolarHBondContact O-N 3.41Å
315	D	42.8	Very low	50	Low	125 Å²	125	148.6 Å²	148.6	67%	0.668	74%	0.741	S	S	*	*			trans	-68.4	95.3	176	-157.9	-13.8	0	0	0	107.9	K313 S317	K313-D315 VanDerWaalsContact C-N 3.32Å; K313-D315 PolarHBondContact O-N 3.33Å; D315-S317 PolarHBondContact O-N 3.45Å; D315-S317 VanDerWaalsContact O-N 3.14Å; D315-S317 WeakPolarHBondContact OD1-CB 3.49Å; D315-S317 PolarHBondContact OD1-N 3.41Å; D315-S317 PolarHBondContact OD1-OG 3.31Å
316	K	52	Low	49.9	Very low	183 Å²	183	144.9 Å²	144.9	80%	0.796	73%	0.73	S	S	*	*			trans	-76.6	21.6	175.3	-79.5	-176.4	173.5	-178.2	0	112.1	I314	I314-K316 VanDerWaalsContact C-N 3.32Å; I314-K316 HydrophobicContact CG2-CG 4.31Å; I314-K316 PolarHBondContact O-N 3.41Å
317	S	42.5	Very low	50.1	Low	85 Å²	85	145.6 Å²	145.6	59%	0.594	73%	0.728	S	S	*	*			trans	-116	46.9	-177.9	76	0	0	0	0	113.4	D315	D315-S317 PolarHBondContact O-N 3.45Å; D315-S317 VanDerWaalsContact O-N 3.14Å; D315-S317 WeakPolarHBondContact OD1-CB 3.49Å; D315-S317 PolarHBondContact OD1-N 3.41Å; D315-S317 PolarHBondContact OD1-OG 3.31Å
318	M	45.6	Very low	50.9	Low	145 Å²	145	145 Å²	145	71%	0.714	73%	0.725	S	S	*	*			trans	-149.7	51.1	161.2	-128.5	168.1	90.2	0	0	112.5	Y320	M318-Y320 HydrophobicContact CE-CE2 4.12Å; M318-Y320 PolarHBondContact O-N 3.38Å
319	T	43.7	Very low	51.1	Low	124 Å²	124	139 Å²	139	76%	0.761	70%	0.702	S	S	*	*			trans	-83.8	98.5	171.5	-35.4	0	0	0	0	108.5
320	Y	47.2	Very low	51.2	Low	170 Å²	170	135.9 Å²	135.9	67%	0.667	69%	0.69	S	S	*	*			trans	-60.9	132.2	162	-75.2	-87.5	0	0	0	108	M318 Y322	M318-Y320 HydrophobicContact CE-CE2 4.12Å; M318-Y320 PolarHBondContact O-N 3.38Å; Y320-Y322 PolarHBondContact O-N 2.92Å
321	P	42.4	Very low	52	Low	97 Å²	97	132.7 Å²	132.7	63%	0.63	66%	0.663	S	S	*	*			trans	-80.5	75.7	179	34.3	-31.8	0	0	0	108.3	K323	P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.44Å
322	Y	50.7	Low	53	Low	135 Å²	135	127 Å²	127	53%	0.529	65%	0.649	S	S	.	*			trans	-87.2	87.8	153.2	-121	-87.6	0	0	0	105.7	Y320 I324	Y320-Y322 PolarHBondContact O-N 2.92Å; Y322-I324 HydrophobicContact CD1-CD1 4.43Å; Y322-I324 HydrophobicContact CD1-CG1 3.92Å; Y322-I324 PolarHBondContact O-N 2.99Å
323	K	47.9	Very low	54.1	Low	177 Å²	177	123 Å²	123	77%	0.77	63%	0.627	S	S	*	*			trans	-71.3	88.6	164.4	-86	-175	173.4	-176.8	0	106.9	P321 C325	P321-K323 VanDerWaalsContact C-N 3.34Å; P321-K323 PolarHBondContact O-N 3.44Å; K323-C325 PolarHBondContact O-N 3.23Å
324	I	53.2	Low	55.4	Low	71 Å²	71	119.4 Å²	119.4	36%	0.364	62%	0.62	S	S	.	*			trans	-74.5	109.2	161.9	-60.7	176	0	0	0	104.2	Y322 D326 D327	Y322-I324 HydrophobicContact CD1-CD1 4.43Å; Y322-I324 HydrophobicContact CD1-CG1 3.92Å; Y322-I324 PolarHBondContact O-N 2.99Å; I324-D326 HydrophobicContact CG2-CB 4.46Å; I324-D326 PolarHBondContact O-N 3.02Å; I324-D327 VanDerWaalsContact O-CG 3.28Å; I324-D327 VanDerWaalsContact O-OD1 3.08Å
325	C	53.7	Low	56.6	Low	121 Å²	121	114.6 Å²	114.6	82%	0.818	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	65.8	174.7	-177.8	0	0	0	0	108.6	K323	K323-C325 PolarHBondContact O-N 3.23Å
326	D	54.9	Low	57.8	Low	122 Å²	122	113.8 Å²	113.8	65%	0.652	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-175.4	39.5	170.2	-86.7	-28.7	0	0	0	111.5	I324 N328	I324-D326 HydrophobicContact CG2-CB 4.46Å; I324-D326 PolarHBondContact O-N 3.02Å; D326-N328 PolarHBondContact O-N 3.33Å
327	D	58.1	Low	59.1	Low	129 Å²	129	110.4 Å²	110.4	69%	0.69	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	21.2	-170	-76.9	-24.7	0	0	0	117.4	I324	I324-D327 VanDerWaalsContact O-CG 3.28Å; I324-D327 VanDerWaalsContact O-OD1 3.08Å
328	N	59.1	Low	60.8	Low	157 Å²	157	112.7 Å²	112.7	84%	0.84	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	9.6	-180	-73.6	-26.8	0	0	0	115.4	D326	D326-N328 PolarHBondContact O-N 3.33Å
329	I	61.9	Low	62.5	Low	81 Å²	81	106.9 Å²	106.9	42%	0.415	57%	0.568	S	S	.	*			trans	-101	100.9	180	-52.5	178.8	0	0	0	109.7	Y331 V348	I329-Y331 HydrophobicContact CB-CE2 4.3Å; I329-Y331 HydrophobicContact CG2-CD1 4.13Å; I329-Y331 HydrophobicContact CG2-CD2 4.42Å; I329-Y331 HydrophobicContact CG2-CE1 3.56Å; I329-Y331 HydrophobicContact CG2-CE2 3.91Å; I329-Y331 VanDerWaalsContact CG2-CZ 3.49Å; I329-Y331 WeakPolarHBondContact O-CD2 3.4Å; I329-Y331 WeakPolarHBondContact O-CE2 3.33Å; I329-V348 HydrophobicContact CG2-CG2 4.24Å
330	T	63.1	Low	64.2	Low	97 Å²	97	105.5 Å²	105.5	60%	0.595	56%	0.561	S	S	*	*			trans	-87.1	129	165.5	17.1	0	0	0	0	110.4	I342	T330-I342 HydrophobicContact CG2-CG2 3.18Å
331	Y	69.3	Low	65.8	Low	54 Å²	54	101.2 Å²	101.2	21%	0.212	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.8	-179.1	-57.8	-85.9	0	0	0	110.4	I329 I342 N343 E344 R345 G346 V348	I329-Y331 HydrophobicContact CB-CE2 4.3Å; I329-Y331 HydrophobicContact CG2-CD1 4.13Å; I329-Y331 HydrophobicContact CG2-CD2 4.42Å; I329-Y331 HydrophobicContact CG2-CE1 3.56Å; I329-Y331 HydrophobicContact CG2-CE2 3.91Å; I329-Y331 VanDerWaalsContact CG2-CZ 3.49Å; I329-Y331 WeakPolarHBondContact O-CD2 3.4Å; I329-Y331 WeakPolarHBondContact O-CE2 3.33Å; Y331-I342 CarbonylContact O-C 3.53Å; Y331-I342 WeakPolarHBondContact O-CA 3.45Å; Y331-N343 WeakPolarHBondContact CD2-O 3.18Å; Y331-N343 PolarHBondContact N-O 3.37Å; Y331-N343 PolarHBondContact O-N 3.3Å; Y331-E344 WeakPolarHBondContact CE2-O 3.28Å; Y331-R345 VanDerWaalsContact CD2-C 3.4Å; Y331-R345 VanDerWaalsContact CE2-CA 3.5Å; Y331-G346 VanDerWaalsContact CD1-C 3.4Å; Y331-G346 WeakPolarHBondContact CD1-O 3.33Å; Y331-G346 WeakPolarHBondContact CE1-O 3.44Å; Y331-G346 VanDerWaalsContact CG-N 3.34Å; Y331-V348 HydrophobicContact CD1-CG2 3.62Å; Y331-V348 HydrophobicContact CE1-CG2 3.69Å
332	L	74.6	Confident	67.5	Low	111 Å²	111	102.7 Å²	102.7	58%	0.581	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.4	172.2	-88.3	145.7	0	0	0	109	P340	L332-P340 HydrophobicContact CD2-CB 4Å
333	Q	74.8	Confident	68.6	Low	75 Å²	75	99.5 Å²	99.5	35%	0.35	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	173.6	-177	175.8	3.8	0	0	109.3	H335 Q341 N343	Q333-H335 PolarHBondContact O-N 3.29Å; Q333-Q341 PolarHBondContact N-O 2.94Å; Q333-Q341 PolarHBondContact O-N 2.78Å; Q333-N343 PolarHBondContact OE1-ND2 2.75Å
334	V	76.1	Confident	69.9	Low	113 Å²	113	99.2 Å²	99.2	69%	0.685	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	112.8	176.3	-176.1	0	0	0	0	109.4
335	H	74.7	Confident	70.7	Confident	34 Å²	34	102.2 Å²	102.2	16%	0.157	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.7	173.1	-168.6	-86.4	0	0	0	110.2	Q333 V337 F338 G339 Q341	Q333-H335 PolarHBondContact O-N 3.29Å; H335-V337 PolarHBondContact ND1-N 3.04Å; H335-V337 VanDerWaalsContact ND1-N 3.17Å; H335-V337 PolarHBondContact O-N 2.93Å; H335-V337 VanDerWaalsContact O-N 3.12Å; H335-F338 HydrophobicContact CB-CB 4.1Å; H335-F338 HydrophobicContact CB-CD2 4.43Å; H335-F338 AromaticContact CE1-CD2 3.25Å; H335-F338 WeakPolarHBondContact CE1-CD2 3.31Å; H335-F338 AromaticContact CE1-CE2 3.45Å; H335-F338 VanDerWaalsContact CE1-CE2 3.45Å; H335-F338 WeakPolarHBondContact CE1-CE2 3.22Å; H335-F338 AromaticContact CG-CD2 3.63Å; H335-F338 AromaticContact ND1-CD2 3.08Å; H335-F338 WeakPolarHBondContact ND1-CD2 3.2Å; H335-F338 AromaticContact ND1-CE2 3.79Å; H335-F338 AromaticContact ND1-CG 3.72Å; H335-F338 PolarHBondContact ND1-N 3.19Å; H335-F338 AromaticContact NE2-CD2 3.86Å; H335-F338 PolarHBondContact O-N 3.08Å; H335-G339 WeakPolarHBondContact CB-O 3.29Å; H335-G339 PolarHBondContact N-O 3.42Å; H335-G339 WeakPolarHBondContact O-CA 3.42Å; H335-G339 PolarHBondContact O-N 3.31Å; H335-Q341 HydrophobicContact CB-CG 4.3Å
336	P	67.8	Low	71.4	Confident	109 Å²	109	98.3 Å²	98.3	71%	0.708	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.4	-174.5	22	-32.4	0	0	0	114.3
337	V	79.2	Confident	71.6	Confident	112 Å²	112	96.2 Å²	96.2	68%	0.679	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-32.9	179.4	-176.3	0	0	0	0	113	H335	H335-V337 PolarHBondContact ND1-N 3.04Å; H335-V337 VanDerWaalsContact ND1-N 3.17Å; H335-V337 PolarHBondContact O-N 2.93Å; H335-V337 VanDerWaalsContact O-N 3.12Å
338	F	79.8	Confident	71.8	Confident	132 Å²	132	94.8 Å²	94.8	58%	0.579	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-4.1	-169.1	-57.7	-59.4	0	0	0	112.8	H335	H335-F338 HydrophobicContact CB-CB 4.1Å; H335-F338 HydrophobicContact CB-CD2 4.43Å; H335-F338 AromaticContact CE1-CD2 3.25Å; H335-F338 WeakPolarHBondContact CE1-CD2 3.31Å; H335-F338 AromaticContact CE1-CE2 3.45Å; H335-F338 VanDerWaalsContact CE1-CE2 3.45Å; H335-F338 WeakPolarHBondContact CE1-CE2 3.22Å; H335-F338 AromaticContact CG-CD2 3.63Å; H335-F338 AromaticContact ND1-CD2 3.08Å; H335-F338 WeakPolarHBondContact ND1-CD2 3.2Å; H335-F338 AromaticContact ND1-CE2 3.79Å; H335-F338 AromaticContact ND1-CG 3.72Å; H335-F338 PolarHBondContact ND1-N 3.19Å; H335-F338 AromaticContact NE2-CD2 3.86Å; H335-F338 PolarHBondContact O-N 3.08Å
339	G	80.3	Confident	71.7	Confident	24 Å²	24	94.2 Å²	94.2	25%	0.247	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.9	-157.3	-174.2	0	0	0	0	0	112.4	H335 Q341	H335-G339 WeakPolarHBondContact CB-O 3.29Å; H335-G339 PolarHBondContact N-O 3.42Å; H335-G339 WeakPolarHBondContact O-CA 3.42Å; H335-G339 PolarHBondContact O-N 3.31Å; G339-Q341 PolarHBondContact O-N 3.24Å
340	P	78.5	Confident	71.6	Confident	94 Å²	94	98.5 Å²	98.5	61%	0.61	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	127.1	-178.4	-20	32.3	0	0	0	111.9	L332	L332-P340 HydrophobicContact CD2-CB 4Å
341	Q	81.6	Confident	71.3	Confident	80 Å²	80	102.9 Å²	102.9	37%	0.374	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.6	174.1	-65.9	-170	-20.3	0	0	109.9	Q333 H335 G339	Q333-Q341 PolarHBondContact N-O 2.94Å; Q333-Q341 PolarHBondContact O-N 2.78Å; H335-Q341 HydrophobicContact CB-CG 4.3Å; G339-Q341 PolarHBondContact O-N 3.24Å
342	I	77.8	Confident	71	Confident	129 Å²	129	105 Å²	105	66%	0.662	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.9	125.9	174.8	-62.3	176.4	0	0	0	107.7	T330 Y331	T330-I342 HydrophobicContact CG2-CG2 3.18Å; Y331-I342 CarbonylContact O-C 3.53Å; Y331-I342 WeakPolarHBondContact O-CA 3.45Å
343	N	74.7	Confident	70.8	Confident	68 Å²	68	105.7 Å²	105.7	36%	0.364	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	179.8	-151	-15.1	0	0	0	110.1	Y331 Q333 R345	Y331-N343 WeakPolarHBondContact CD2-O 3.18Å; Y331-N343 PolarHBondContact N-O 3.37Å; Y331-N343 PolarHBondContact O-N 3.3Å; Q333-N343 PolarHBondContact OE1-ND2 2.75Å; N343-R345 PolarHBondContact O-N 3.37Å
344	E	74.8	Confident	70.5	Confident	171 Å²	171	111.1 Å²	111.1	80%	0.799	60%	0.595	S	S	*	*	S	Bend	trans	-81.4	-7.3	179.5	-64.9	179.6	-179.9	0	0	112.1	Y331	Y331-E344 WeakPolarHBondContact CE2-O 3.28Å
345	R	69.3	Low	70.4	Confident	134 Å²	134	116.8 Å²	116.8	51%	0.506	62%	0.62	S	S	.	*	S	Bend	trans	-145.6	138.3	176.5	-61.6	-175.8	-178.1	-173.1	-0.9	110.9	E111 Y331 N343	E111-R345 IonicContact OE2-NH1 3.56Å; E111-R345 PolarHBondContact OE2-NH1 3.46Å; Y331-R345 VanDerWaalsContact CD2-C 3.4Å; Y331-R345 VanDerWaalsContact CE2-CA 3.5Å; N343-R345 PolarHBondContact O-N 3.37Å
346	G	68.1	Low	70.2	Confident	39 Å²	39	120.9 Å²	120.9	40%	0.402	64%	0.643	S	S	.	*	S	Bend	trans	166.5	178.4	173.5	0	0	0	0	0	113	Y331	Y331-G346 VanDerWaalsContact CD1-C 3.4Å; Y331-G346 WeakPolarHBondContact CD1-O 3.33Å; Y331-G346 WeakPolarHBondContact CE1-O 3.44Å; Y331-G346 VanDerWaalsContact CG-N 3.34Å
347	P	60.5	Low	70.3	Confident	78 Å²	78	121.5 Å²	121.5	51%	0.506	64%	0.639	S	S	.	*			trans	-78.7	140.4	164.3	-4.4	21.5	0	0	0	109.8	Y349	P347-Y349 HydrophobicContact CB-CD2 4.21Å; P347-Y349 HydrophobicContact CB-CE2 3.59Å; P347-Y349 HydrophobicContact CG-CE2 3.69Å; P347-Y349 PolarHBondContact O-N 3.37Å
348	V	61.3	Low	69.9	Low	98 Å²	98	122.1 Å²	122.1	59%	0.594	64%	0.637	S	S	*	*			trans	-79.1	107.1	171.1	-178.8	0	0	0	0	108.6	I329 Y331	I329-V348 HydrophobicContact CG2-CG2 4.24Å; Y331-V348 HydrophobicContact CD1-CG2 3.62Å; Y331-V348 HydrophobicContact CE1-CG2 3.69Å
349	Y	57	Low	69.3	Low	145 Å²	145	121.5 Å²	121.5	57%	0.569	64%	0.641	S	S	*	*			trans	-98	98	167.7	-62.6	-78.6	0	0	0	109.2	P347	P347-Y349 HydrophobicContact CB-CD2 4.21Å; P347-Y349 HydrophobicContact CB-CE2 3.59Å; P347-Y349 HydrophobicContact CG-CE2 3.69Å; P347-Y349 PolarHBondContact O-N 3.37Å
350	M	61.1	Low	68.6	Low	171 Å²	171	127.6 Å²	127.6	84%	0.842	67%	0.665	S	S	*	*			trans	-95.9	104.9	170.8	-166.9	173.9	56.1	0	0	108
351	Y	56	Low	67.9	Low	189 Å²	189	129.8 Å²	129.8	74%	0.741	67%	0.669	S	S	*	*			trans	-87.6	114.3	170.3	-59.5	-84.8	0	0	0	108.1
352	A	62	Low	66.9	Low	100 Å²	100	133.4 Å²	133.4	83%	0.826	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-81	117.8	165.5	0	0	0	0	0	108.1
353	V	70.7	Confident	66.1	Low	124 Å²	124	133.7 Å²	133.7	75%	0.752	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-85.3	117.5	164.5	179	0	0	0	0	106.5
354	Q	70.1	Confident	65.4	Low	189 Å²	189	139.2 Å²	139.2	88%	0.883	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-80.5	117.4	169.5	-165.9	157.3	-0.1	0	0	107.5
355	L	73.9	Confident	64.5	Low	232 Å²	232	136.3 Å²	136.3	100%	1.215	71%	0.712	S	S	*	*			trans	-76.8	0	175.8	-73.9	171.3	0	0	0	111.7

Retrieved 355 of 355 residues in 52.3 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).