A0A3B3U2W1_9TELE Loading...

E2 NEDD8-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A3B3U2W1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 184 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	55.2	Low	235 Å²	235	103.5 Å²	103.5	100%	1.158	52%	0.52	S	S	*	.				0	133.2	0	-73	-174.1	-97.5	0	0	107.6
2	L	45.2	Very low	54.9	Low	116 Å²	116	107.6 Å²	107.6	61%	0.607	55%	0.545	S	S	*	.			trans	-88.5	113.3	-178.2	-74.9	159.7	0	0	0	108.9
3	T	59.4	Low	54.1	Low	56 Å²	56	104.2 Å²	104.2	34%	0.344	55%	0.553	S	S	.	*			trans	-65	156.2	177.3	61.2	0	0	0	0	111.4	A5 S6 K7	T3-A5 PolarHBondContact O-N 2.63Å; T3-S6 PolarHBondContact N-OG 3.22Å; T3-S6 VanDerWaalsContact N-OG 3.08Å; T3-S6 WeakPolarHBondContact O-CA 3.5Å; T3-S6 WeakPolarHBondContact O-CB 3.48Å; T3-S6 PolarHBondContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 2.77Å; T3-S6 PolarHBondContact OG1-N 3.35Å; T3-K7 PolarHBondContact O-N 3.46Å; T3-K7 VanDerWaalsContact O-N 3.13Å
4	L	58.3	Low	53.4	Low	35 Å²	35	101.4 Å²	101.4	18%	0.183	56%	0.562	C	S	.	*	H	α-helix	trans	-54.1	-40.9	177.9	-162.6	98.3	0	0	0	111.8	S6 K7 L8 L61	L4-S6 VanDerWaalsContact C-N 3.27Å; L4-S6 PolarHBondContact O-N 3.23Å; L4-K7 WeakPolarHBondContact O-CB 3.45Å; L4-K7 PolarHBondContact O-N 2.74Å; L4-K7 VanDerWaalsContact O-N 3.07Å; L4-L8 HydrophobicContact CD2-CD1 3.89Å; L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.13Å; L4-L61 HydrophobicContact CD2-CD1 3.85Å; L4-L61 HydrophobicContact CD2-CG 4.09Å
5	A	59.3	Low	52.7	Low	37 Å²	37	108.4 Å²	108.4	31%	0.306	58%	0.584	S	S	.	*	H	α-helix	trans	-58.3	-36.8	175.3	0	0	0	0	0	113	T3 K9 T37	T3-A5 PolarHBondContact O-N 2.63Å; A5-K9 PolarHBondContact O-N 2.93Å; A5-K9 VanDerWaalsContact O-N 3.14Å; A5-T37 HydrophobicContact CB-CG2 4.2Å
6	S	57.5	Low	52.3	Low	38 Å²	38	110.5 Å²	110.5	27%	0.266	60%	0.602	S	S	.	*	H	α-helix	trans	-73	-31.1	176.1	73.8	0	0	0	0	113.2	T3 L4 K10	T3-S6 PolarHBondContact N-OG 3.22Å; T3-S6 VanDerWaalsContact N-OG 3.08Å; T3-S6 WeakPolarHBondContact O-CA 3.5Å; T3-S6 WeakPolarHBondContact O-CB 3.48Å; T3-S6 PolarHBondContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 2.77Å; T3-S6 PolarHBondContact OG1-N 3.35Å; L4-S6 VanDerWaalsContact C-N 3.27Å; L4-S6 PolarHBondContact O-N 3.23Å; S6-K10 PolarHBondContact O-N 3.04Å
7	K	58.7	Low	51.4	Low	115 Å²	115	108.7 Å²	108.7	50%	0.5	62%	0.615	S	S	.	*	H	α-helix	trans	-70.6	-40.7	173.7	-69.1	176.6	178.7	170.9	0	111.3	T3 L4 K10	T3-K7 PolarHBondContact O-N 3.46Å; T3-K7 VanDerWaalsContact O-N 3.13Å; L4-K7 WeakPolarHBondContact O-CB 3.45Å; L4-K7 PolarHBondContact O-N 2.74Å; L4-K7 VanDerWaalsContact O-N 3.07Å; K7-K10 WeakPolarHBondContact O-CB 3.34Å; K7-K10 PolarHBondContact O-N 3.23Å
8	L	60.2	Low	50.8	Low	38 Å²	38	117 Å²	117	20%	0.199	64%	0.635	C	S	.	*	H	α-helix	trans	-68.7	-37.7	179.2	-67.5	174.3	0	0	0	113.2	L4 K10 D11 V29 T37	L4-L8 HydrophobicContact CD2-CD1 3.89Å; L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.13Å; L8-K10 PolarHBondContact O-N 3.44Å; L8-D11 PolarHBondContact O-N 3.14Å; L8-V29 HydrophobicContact CD1-CG1 4.44Å; L8-V29 HydrophobicContact CD2-CB 3.91Å; L8-V29 HydrophobicContact CD2-CG1 3.37Å; L8-V29 HydrophobicContact CD2-CG2 3.21Å; L8-T37 HydrophobicContact CD1-CG2 4.34Å; L8-T37 WeakPolarHBondContact CD1-OG1 2.99Å
9	K	57.6	Low	50.4	Low	172 Å²	172	115.6 Å²	115.6	75%	0.748	64%	0.641	S	S	*	*	H	α-helix	trans	-65.8	-24.3	172.7	-80.5	-178.9	175.7	177.3	0	113.6	A5	A5-K9 PolarHBondContact O-N 2.93Å; A5-K9 VanDerWaalsContact O-N 3.14Å
10	K	55.6	Low	49.8	Very low	168 Å²	168	115.8 Å²	115.8	73%	0.73	65%	0.65	S	S	*	*	H	α-helix	trans	-79.7	-23.9	-178.2	-148.5	176.7	-176.5	-176.5	0	112.6	S6 K7 L8 D12	S6-K10 PolarHBondContact O-N 3.04Å; K7-K10 WeakPolarHBondContact O-CB 3.34Å; K7-K10 PolarHBondContact O-N 3.23Å; L8-K10 PolarHBondContact O-N 3.44Å; K10-D12 VanDerWaalsContact C-N 3.35Å
11	D	55.5	Low	49.6	Very low	128 Å²	128	114.3 Å²	114.3	68%	0.684	66%	0.662	S	S	*	*	H	α-helix	trans	-79.5	-16.8	-179.8	-145.9	41.8	0	0	0	112.9	L8	L8-D11 PolarHBondContact O-N 3.14Å
12	D	51.3	Low	49.6	Very low	153 Å²	153	107.3 Å²	107.3	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-9.1	-178.7	-148.7	40.1	0	0	0	113.3	K10	K10-D12 VanDerWaalsContact C-N 3.35Å
13	G	43.8	Very low	49.6	Very low	63 Å²	63	107.9 Å²	107.9	65%	0.649	66%	0.655	S	S	*	*	S	Bend	trans	-97.7	83.5	177.9	0	0	0	0	0	112.1
14	G	44.4	Very low	48.8	Very low	65 Å²	65	111.4 Å²	111.4	67%	0.67	67%	0.671	S	S	*	*			trans	-60.5	164.9	-166.4	0	0	0	0	0	117.8
15	K	43.6	Very low	48.2	Very low	207 Å²	207	113.9 Å²	113.9	90%	0.9	69%	0.692	S	S	*	*			trans	-165.6	138.5	138.4	-111.7	168.2	-174.2	177.7	0	115.1
16	T	46.1	Very low	47.8	Very low	142 Å²	142	117.5 Å²	117.5	87%	0.871	71%	0.71	S	S	*	*			trans	-50.9	133.2	157.9	40	0	0	0	0	112.7
17	G	36.5	Very low	48	Very low	80 Å²	80	123.6 Å²	123.6	83%	0.825	73%	0.734	S	S	*	*			trans	168.9	116.3	169.6	0	0	0	0	0	113
18	R	41	Very low	48.8	Very low	258 Å²	258	128.4 Å²	128.4	97%	0.974	75%	0.749	S	S	*	*			trans	-76	130.4	174.5	-96.5	175.6	168.6	172.2	-3.6	110.8
19	A	42.5	Very low	49.8	Very low	90 Å²	90	128 Å²	128	74%	0.744	75%	0.748	S	S	*	*				156.1	145.6	112	0	0	0	0	0	113.6
20	S	39.9	Very low	51.4	Low	119 Å²	119	120.9 Å²	120.9	83%	0.832	72%	0.72	S	S	*	*			trans	68.8	105.5	158.5	64.3	0	0	0	0	121.1
21	G	45.2	Very low	53.3	Low	86 Å²	86	118.7 Å²	118.7	89%	0.887	72%	0.715	S	S	*	*				76.8	55.5	110.2	0	0	0	0	0	118.3
22	A	39.4	Very low	55.2	Low	88 Å²	88	113.8 Å²	113.8	73%	0.727	69%	0.687	S	S	*	*			trans	-145.7	141.6	149.8	0	0	0	0	0	106.9	D24	A22-D24 PolarHBondContact O-N 2.95Å
23	S	45.2	Very low	57.2	Low	127 Å²	127	108.3 Å²	108.3	89%	0.888	66%	0.658	S	S	*	*			trans	-66.9	68.3	170.6	164.4	0	0	0	0	109.2	S25	S23-S25 PolarHBondContact O-N 3.3Å
24	D	43.5	Very low	59.6	Low	130 Å²	130	112 Å²	112	70%	0.695	65%	0.652	S	S	*	*			trans	-83.4	92.7	170.6	-158.6	16.7	0	0	0	105.9	A22 T26	A22-D24 PolarHBondContact O-N 2.95Å; D24-T26 PolarHBondContact O-N 3.07Å
25	S	45.1	Very low	62.1	Low	88 Å²	88	111.1 Å²	111.1	62%	0.615	63%	0.632	S	S	*	*			trans	-64.3	86.8	168.8	56.4	0	0	0	0	106.7	S23 H27	S23-S25 PolarHBondContact O-N 3.3Å; S25-H27 PolarHBondContact O-N 3.43Å
26	T	51	Low	64.6	Low	113 Å²	113	101.3 Å²	101.3	69%	0.693	59%	0.589	S	S	*	*			trans	-59.6	88.2	168.6	51.9	0	0	0	0	106.3	D24 R28	D24-T26 PolarHBondContact O-N 3.07Å; T26-R28 VanDerWaalsContact C-N 3.34Å; T26-R28 PolarHBondContact O-N 2.87Å
27	H	61.6	Low	66.9	Low	165 Å²	165	96.1 Å²	96.1	76%	0.764	56%	0.557	S	S	*	*			trans	-64.9	100.4	179.5	-122.1	-75.5	0	0	0	105.4	S25 V29	S25-H27 PolarHBondContact O-N 3.43Å; H27-V29 PolarHBondContact O-N 3.21Å
28	R	76.4	Confident	69.6	Low	217 Å²	217	100.1 Å²	100.1	82%	0.819	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.2	173.1	-72.1	177.9	92.9	176.4	5.6	106.2	T26 S30	T26-R28 VanDerWaalsContact C-N 3.34Å; T26-R28 PolarHBondContact O-N 2.87Å; R28-S30 PolarHBondContact O-N 2.9Å
29	V	81.5	Confident	72.3	Confident	29 Å²	29	88.7 Å²	88.7	18%	0.176	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-52.3	125	179.1	-175.2	0	0	0	0	108.4	L8 H27 D33 R34	L8-V29 HydrophobicContact CD1-CG1 4.44Å; L8-V29 HydrophobicContact CD2-CB 3.91Å; L8-V29 HydrophobicContact CD2-CG1 3.37Å; L8-V29 HydrophobicContact CD2-CG2 3.21Å; H27-V29 PolarHBondContact O-N 3.21Å; V29-D33 HydrophobicContact CG1-CB 3.82Å; V29-R34 HydrophobicContact CB-CG 4.2Å; V29-R34 HydrophobicContact CG1-CG 3.63Å; V29-R34 PolarHBondContact O-NE 3.05Å; V29-R34 VanDerWaalsContact O-NE 3.09Å; V29-R34 PolarHBondContact O-NH2 2.82Å
30	S	91.3	Very high	74.8	Confident	22 Å²	22	84.9 Å²	84.9	15%	0.154	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-63	160.4	-178.7	74.1	0	0	0	0	111.1	R28 R32 D33 R34 E88	R28-S30 PolarHBondContact O-N 2.9Å; S30-R32 VanDerWaalsContact C-N 3.28Å; S30-R32 PolarHBondContact O-N 2.71Å; S30-D33 PolarHBondContact O-N 3.28Å; S30-D33 PolarHBondContact OG-N 3.47Å; S30-D33 VanDerWaalsContact OG-N 3.14Å; S30-D33 PolarHBondContact OG-OD1 3.37Å; S30-D33 PolarHBondContact OG-OD2 3.05Å; S30-R34 WeakPolarHBondContact O-CG 3.32Å; S30-R34 PolarHBondContact O-N 3.32Å; S30-E88 WeakPolarHBondContact CB-OE1 3.49Å; S30-E88 PolarHBondContact OG-OE1 2.98Å
31	I	93.8	Very high	77.3	Confident	122 Å²	122	82 Å²	82	63%	0.626	46%	0.46	S	S	*	.	H	α-helix	trans	-60.4	-44.7	176.6	-66.4	171.3	0	0	0	109.5	D33 R34 L35	I31-D33 PolarHBondContact O-N 3.48Å; I31-R34 PolarHBondContact O-N 2.97Å; I31-L35 HydrophobicContact CG2-CD1 4Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.25Å; I31-L35 PolarHBondContact O-N 2.86Å; I31-L35 VanDerWaalsContact O-N 3.07Å
32	R	96.1	Very high	79.5	Confident	25 Å²	25	82.3 Å²	82.3	9%	0.094	44%	0.439	C	S	.	.	H	α-helix	trans	-51.1	-54.6	174.3	179.4	-169.2	71.8	-161.7	-18.5	111.4	S30 R34 L35 L36 V86 P87 E88 Y90	S30-R32 VanDerWaalsContact C-N 3.28Å; S30-R32 PolarHBondContact O-N 2.71Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-L35 WeakPolarHBondContact O-CB 3.42Å; R32-L35 PolarHBondContact O-N 3Å; R32-L36 HydrophobicContact CG-CD1 3.59Å; R32-L36 HydrophobicContact CG-CG 3.98Å; R32-L36 VanDerWaalsContact O-CG 3.31Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 2.86Å; R32-V86 WeakPolarHBondContact CD-O 3.45Å; R32-V86 HydrophobicContact CG-CG1 3.99Å; R32-V86 PolarHBondContact NH1-O 3.07Å; R32-P87 VanDerWaalsContact CD-O 3.26Å; R32-P87 WeakPolarHBondContact CD-O 3.46Å; R32-E88 IonicContact CZ-OE2 3.57Å; R32-E88 IonicContact NE-OE2 3.37Å; R32-E88 IonicContact NH1-OE2 2.75Å; R32-E88 PolarHBondContact NH1-OE2 2.81Å; R32-E88 IonicContact NH2-OE2 3.11Å; R32-E88 PolarHBondContact NH2-OE2 3.18Å; R32-Y90 HydrophobicContact CG-CD1 4.2Å; R32-Y90 HydrophobicContact CG-CG 4.48Å
33	D	94.3	Very high	82	Confident	39 Å²	39	78.1 Å²	78.1	21%	0.209	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-31.9	-172	-65.6	-4.6	0	0	0	112.2	V29 S30 I31 T37	V29-D33 HydrophobicContact CG1-CB 3.82Å; S30-D33 PolarHBondContact O-N 3.28Å; S30-D33 PolarHBondContact OG-N 3.47Å; S30-D33 VanDerWaalsContact OG-N 3.14Å; S30-D33 PolarHBondContact OG-OD1 3.37Å; S30-D33 PolarHBondContact OG-OD2 3.05Å; I31-D33 PolarHBondContact O-N 3.48Å; D33-T37 PolarHBondContact O-N 3.37Å; D33-T37 VanDerWaalsContact O-N 3.13Å; D33-T37 PolarHBondContact O-OG1 3.2Å
34	R	94.1	Very high	84.1	Confident	140 Å²	140	77.8 Å²	77.8	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-42.1	171.8	-66.8	-177.8	-138.6	-153.8	2.1	112.5	V29 S30 I31 R32	V29-R34 HydrophobicContact CB-CG 4.2Å; V29-R34 HydrophobicContact CG1-CG 3.63Å; V29-R34 PolarHBondContact O-NE 3.05Å; V29-R34 VanDerWaalsContact O-NE 3.09Å; V29-R34 PolarHBondContact O-NH2 2.82Å; S30-R34 WeakPolarHBondContact O-CG 3.32Å; S30-R34 PolarHBondContact O-N 3.32Å; I31-R34 PolarHBondContact O-N 2.97Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 2.82Å
35	L	96.4	Very high	86.4	Confident	47 Å²	47	75.5 Å²	75.5	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-50	176.8	-68.6	172	0	0	0	110.3	I31 R32 T37 K38 E39 Y90 N91	I31-L35 HydrophobicContact CG2-CD1 4Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.25Å; I31-L35 PolarHBondContact O-N 2.86Å; I31-L35 VanDerWaalsContact O-N 3.07Å; R32-L35 WeakPolarHBondContact O-CB 3.42Å; R32-L35 PolarHBondContact O-N 3Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.44Å; L35-K38 PolarHBondContact O-N 2.84Å; L35-E39 PolarHBondContact O-N 2.89Å; L35-Y90 HydrophobicContact CB-CD1 4.35Å; L35-Y90 HydrophobicContact CB-CE1 3.96Å; L35-Y90 HydrophobicContact CD1-CD1 3.95Å; L35-Y90 HydrophobicContact CD1-CE1 3.89Å; L35-N91 HydrophobicContact CD1-CB 3.96Å
36	L	96.8	Very high	88.7	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-57.5	-37	-179.4	-70.4	179.4	0	0	0	113.3	R32 K38 E39 V40 L61 H62 V86 L135	R32-L36 HydrophobicContact CG-CD1 3.59Å; R32-L36 HydrophobicContact CG-CG 3.98Å; R32-L36 VanDerWaalsContact O-CG 3.31Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 2.86Å; L36-K38 PolarHBondContact O-N 3.49Å; L36-E39 PolarHBondContact O-N 2.99Å; L36-V40 VanDerWaalsContact O-CB 3.25Å; L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.06Å; L36-L61 HydrophobicContact CB-CB 4.17Å; L36-L61 HydrophobicContact CD1-CB 4.29Å; L36-H62 HydrophobicContact CD1-CB 3.62Å; L36-V86 HydrophobicContact CD1-CB 4.45Å; L36-V86 HydrophobicContact CD1-CG1 4.47Å; L36-V86 HydrophobicContact CD2-CB 4.38Å; L36-V86 HydrophobicContact CD2-CG1 4.15Å; L36-V86 HydrophobicContact CD2-CG2 4.08Å; L36-L135 HydrophobicContact CD2-CD1 3.6Å; L36-L135 HydrophobicContact CD2-CG 4.34Å
37	T	93.1	Very high	90.8	Very high	34 Å²	34	71.2 Å²	71.2	21%	0.209	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-33	177.6	-58.4	0	0	0	0	112.6	A5 L8 D33 L35	A5-T37 HydrophobicContact CB-CG2 4.2Å; L8-T37 HydrophobicContact CD1-CG2 4.34Å; L8-T37 WeakPolarHBondContact CD1-OG1 2.99Å; D33-T37 PolarHBondContact O-N 3.37Å; D33-T37 VanDerWaalsContact O-N 3.13Å; D33-T37 PolarHBondContact O-OG1 3.2Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.44Å
38	K	94.4	Very high	92.4	Very high	164 Å²	164	63.9 Å²	63.9	71%	0.713	32%	0.321	S	S	*	.	H	α-helix	trans	-84.9	-48.4	176.8	-63.6	-179	-179.5	-178.9	0	111.1	L35 L36 V40 A41 E42	L35-K38 PolarHBondContact O-N 2.84Å; L36-K38 PolarHBondContact O-N 3.49Å; K38-V40 PolarHBondContact O-N 3.43Å; K38-A41 PolarHBondContact O-N 3.26Å; K38-E42 PolarHBondContact O-N 3.13Å
39	E	96.9	Very high	93.3	Very high	17 Å²	17	59.4 Å²	59.4	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-34.9	-174.3	-70.6	-171.7	-132.3	0	0	113.4	L35 L36 E42 L43 Y90 T134 L135	L35-E39 PolarHBondContact O-N 2.89Å; L36-E39 PolarHBondContact O-N 2.99Å; E39-E42 PolarHBondContact O-N 3.22Å; E39-L43 WeakPolarHBondContact O-CB 3.24Å; E39-L43 PolarHBondContact O-N 3.28Å; E39-Y90 WeakPolarHBondContact OE1-CE1 3.44Å; E39-Y90 PolarHBondContact OE1-OH 3.01Å; E39-Y90 PolarHBondContact OE2-OH 3.32Å; E39-T134 VanDerWaalsContact OE2-CA 3.28Å; E39-T134 WeakPolarHBondContact OE2-CA 3.44Å; E39-T134 VanDerWaalsContact OE2-CB 3.25Å; E39-T134 WeakPolarHBondContact OE2-CB 3.24Å; E39-L135 HydrophobicContact CB-CD1 4.49Å; E39-L135 PolarHBondContact OE2-N 3.41Å
40	V	94.8	Very high	94.1	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-41.9	175.9	169.1	0	0	0	0	110.9	L36 K38 E42 L43 E44 F55 L61 L135	L36-V40 VanDerWaalsContact O-CB 3.25Å; L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.06Å; K38-V40 PolarHBondContact O-N 3.43Å; V40-E42 VanDerWaalsContact C-N 3.33Å; V40-E42 PolarHBondContact O-N 2.86Å; V40-L43 WeakPolarHBondContact O-CB 3.25Å; V40-L43 PolarHBondContact O-N 3.3Å; V40-E44 WeakPolarHBondContact O-CG 3.31Å; V40-E44 PolarHBondContact O-N 3.41Å; V40-F55 HydrophobicContact CB-CZ 4.18Å; V40-F55 HydrophobicContact CG1-CE1 4.09Å; V40-F55 HydrophobicContact CG1-CE2 3.69Å; V40-F55 HydrophobicContact CG1-CZ 3.36Å; V40-F55 HydrophobicContact CG2-CE1 3.94Å; V40-F55 HydrophobicContact CG2-CZ 3.73Å; V40-L61 HydrophobicContact CG2-CB 4.44Å; V40-L135 HydrophobicContact CG2-CD1 4.21Å
41	A	91.4	Very high	94.4	Very high	59 Å²	59	58.4 Å²	58.4	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-38.9	176.6	0	0	0	0	0	111.8	K38 A45	K38-A41 PolarHBondContact O-N 3.26Å; A41-A45 PolarHBondContact O-N 3.14Å
42	E	92.2	Very high	94.6	Very high	92 Å²	92	59.3 Å²	59.3	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-41.4	173.6	-174.4	176.9	174.1	0	0	111.7	K38 E39 V40 A45 N46	K38-E42 PolarHBondContact O-N 3.13Å; E39-E42 PolarHBondContact O-N 3.22Å; V40-E42 VanDerWaalsContact C-N 3.33Å; V40-E42 PolarHBondContact O-N 2.86Å; E42-A45 PolarHBondContact O-N 3.34Å; E42-N46 WeakPolarHBondContact O-CB 3.47Å; E42-N46 PolarHBondContact O-N 3.07Å; E42-N46 VanDerWaalsContact O-N 3.14Å; E42-N46 PolarHBondContact O-ND2 2.86Å
43	L	92.8	Very high	94.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-57.8	-54.2	179.1	178	66.6	0	0	0	110.4	E39 V40 A45 N46 L47 F64 L135 K136 V139	E39-L43 WeakPolarHBondContact O-CB 3.24Å; E39-L43 PolarHBondContact O-N 3.28Å; V40-L43 WeakPolarHBondContact O-CB 3.25Å; V40-L43 PolarHBondContact O-N 3.3Å; L43-A45 PolarHBondContact O-N 3.06Å; L43-N46 CarbonylContact O-C 3.52Å; L43-N46 PolarHBondContact O-N 3.21Å; L43-L47 HydrophobicContact CD1-CD2 3.67Å; L43-L47 HydrophobicContact CG-CD2 3.93Å; L43-L47 HydrophobicContact CG-CG 4.48Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.09Å; L43-F64 HydrophobicContact CD2-CE2 4.04Å; L43-F64 HydrophobicContact CD2-CZ 4.22Å; L43-L135 HydrophobicContact CD2-CB 4.44Å; L43-K136 HydrophobicContact CD1-CB 4.47Å; L43-V139 HydrophobicContact CD1-CB 3.94Å; L43-V139 HydrophobicContact CD1-CG1 4.4Å; L43-V139 HydrophobicContact CD1-CG2 3.64Å; L43-V139 HydrophobicContact CD2-CG2 4.26Å
44	E	89.4	Confident	94.8	Very high	119 Å²	119	59.6 Å²	59.6	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-56.9	-33.4	-179.3	-71.8	-177.9	158.3	0	0	113	V40	V40-E44 WeakPolarHBondContact O-CG 3.31Å; V40-E44 PolarHBondContact O-N 3.41Å
45	A	91.6	Very high	94.9	Very high	82 Å²	82	54.7 Å²	54.7	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-78.8	-18.5	177.5	0	0	0	0	0	114	A41 E42 L43	A41-A45 PolarHBondContact O-N 3.14Å; E42-A45 PolarHBondContact O-N 3.34Å; L43-A45 PolarHBondContact O-N 3.06Å
46	N	93	Very high	94.7	Very high	65 Å²	65	56.5 Å²	56.5	35%	0.348	32%	0.323	S	S	.	.	S	Bend	trans	-126	18.4	-170.8	-66.8	-88.1	0	0	0	113.6	E42 L43 K136 W140	E42-N46 WeakPolarHBondContact O-CB 3.47Å; E42-N46 PolarHBondContact O-N 3.07Å; E42-N46 VanDerWaalsContact O-N 3.14Å; E42-N46 PolarHBondContact O-ND2 2.86Å; L43-N46 CarbonylContact O-C 3.52Å; L43-N46 PolarHBondContact O-N 3.21Å; N46-K136 HydrophobicContact CB-CD 4.13Å; N46-W140 PolarHBondContact O-NE1 3.48Å
47	L	94.5	Very high	94.5	Very high	46 Å²	46	59 Å²	59	24%	0.241	34%	0.336	C	S	.	.			trans	-63.3	138.5	175	-76.6	177.3	0	0	0	110.5	L43 C51 A53 L66 V139	L43-L47 HydrophobicContact CD1-CD2 3.67Å; L43-L47 HydrophobicContact CG-CD2 3.93Å; L43-L47 HydrophobicContact CG-CG 4.48Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.09Å; L47-C51 HydrophobicContact CD2-CB 4.24Å; L47-A53 HydrophobicContact CD1-CB 3.99Å; L47-L66 HydrophobicContact CD2-CD1 4.41Å; L47-V139 HydrophobicContact CD2-CG1 3.69Å
48	P	95.4	Very high	94.2	Very high	12 Å²	12	63 Å²	63	8%	0.078	35%	0.353	C	S	.	.			trans	-52.9	148.2	162.4	-23	31.8	0	0	0	110.9	T50 C51 W140 N143	P48-T50 PolarHBondContact O-N 3.16Å; P48-T50 VanDerWaalsContact O-N 3.16Å; P48-C51 HydrophobicContact CB-CB 4.16Å; P48-C51 HydrophobicContact CG-CB 4.28Å; P48-C51 WeakPolarHBondContact O-CB 3.36Å; P48-C51 PolarHBondContact O-N 3.01Å; P48-W140 HydrophobicContact CB-CH2 4.46Å; P48-W140 HydrophobicContact CG-CD2 3.85Å; P48-W140 HydrophobicContact CG-CE3 4.06Å; P48-W140 HydrophobicContact CG-CG 4.4Å; P48-W140 HydrophobicContact CG-CH2 4.08Å; P48-W140 HydrophobicContact CG-CZ2 3.85Å; P48-W140 HydrophobicContact CG-CZ3 4.17Å; P48-N143 HydrophobicContact CG-CB 4.43Å
49	S	96.5	Very high	94	Very high	122 Å²	122	58.9 Å²	58.9	85%	0.853	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	177	47.9	0	0	0	0	113.3	C51	S49-C51 VanDerWaalsContact C-N 3.26Å
50	T	97.8	Very high	93.8	Very high	17 Å²	17	62.9 Å²	62.9	10%	0.104	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.8	174.6	50.7	0	0	0	0	113.1	P48 V68 S69 D71 N143	P48-T50 PolarHBondContact O-N 3.16Å; P48-T50 VanDerWaalsContact O-N 3.16Å; T50-V68 CarbonylContact O-C 3.56Å; T50-V68 WeakPolarHBondContact O-CA 3.45Å; T50-S69 VanDerWaalsContact CB-O 3.3Å; T50-S69 WeakPolarHBondContact CB-O 3.45Å; T50-S69 WeakPolarHBondContact CG2-O 3.4Å; T50-S69 PolarHBondContact O-N 3.05Å; T50-D71 HydrophobicContact CG2-CB 4.27Å; T50-N143 PolarHBondContact OG1-OD1 3.02Å
51	C	98.1	Very high	93.8	Very high	14 Å²	14	63.4 Å²	63.4	10%	0.095	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.2	-173.5	-73.4	0	0	0	0	112.7	L47 P48 S49 L66 A67 V139	L47-C51 HydrophobicContact CD2-CB 4.24Å; P48-C51 HydrophobicContact CB-CB 4.16Å; P48-C51 HydrophobicContact CG-CB 4.28Å; P48-C51 WeakPolarHBondContact O-CB 3.36Å; P48-C51 PolarHBondContact O-N 3.01Å; S49-C51 VanDerWaalsContact C-N 3.26Å; C51-L66 HydrophobicContact CB-CD1 4.11Å; C51-A67 CarbonylContact C-O 3.58Å; C51-A67 WeakPolarHBondContact CA-O 3.38Å; C51-V139 HydrophobicContact CB-CG1 4.26Å
52	K	97.6	Very high	94.1	Very high	140 Å²	140	63 Å²	63	61%	0.609	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	119	170.9	-175.1	172.5	-178.7	173.9	0	111	A67	K52-A67 PolarHBondContact N-O 2.95Å; K52-A67 PolarHBondContact O-N 3.27Å
53	A	97	Very high	94.4	Very high	18 Å²	18	60.7 Å²	60.7	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149.7	172	0	0	0	0	0	111.2	L47 F64 Q65	L47-A53 HydrophobicContact CD1-CB 3.99Å; A53-F64 HydrophobicContact CB-CD2 4.5Å; A53-Q65 CarbonylContact C-O 3.53Å; A53-Q65 WeakPolarHBondContact CA-O 3.44Å
54	S	96.8	Very high	94.6	Very high	53 Å²	53	60.6 Å²	60.6	37%	0.371	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139	172.6	60.1	0	0	0	0	110.7	P56 F64 Q65	S54-P56 WeakPolarHBondContact O-CD 3.2Å; S54-F64 WeakPolarHBondContact O-CB 3.48Å; S54-Q65 PolarHBondContact N-O 2.85Å; S54-Q65 PolarHBondContact O-N 2.85Å
55	F	95.8	Very high	95	Very high	37 Å²	37	57.6 Å²	57.6	16%	0.162	32%	0.32	C	S	.	.			trans	-110.4	101.9	179.7	-67.3	-94	0	0	0	108.6	V40 D57 L61 F64	V40-F55 HydrophobicContact CB-CZ 4.18Å; V40-F55 HydrophobicContact CG1-CE1 4.09Å; V40-F55 HydrophobicContact CG1-CE2 3.69Å; V40-F55 HydrophobicContact CG1-CZ 3.36Å; V40-F55 HydrophobicContact CG2-CE1 3.94Å; V40-F55 HydrophobicContact CG2-CZ 3.73Å; F55-D57 PolarHBondContact O-N 2.77Å; F55-L61 HydrophobicContact CD1-CD2 4.26Å; F55-L61 HydrophobicContact CE1-CD2 4.38Å; F55-F64 HydrophobicContact CD1-CB 3.5Å; F55-F64 VanDerWaalsContact CD1-CB 3.5Å; F55-F64 HydrophobicContact CD1-CG 4.39Å; F55-F64 HydrophobicContact CE1-CB 3.41Å; F55-F64 VanDerWaalsContact CE1-CB 3.41Å; F55-F64 HydrophobicContact CE1-CD1 4.04Å; F55-F64 AromaticContact CE1-CG 3.8Å; F55-F64 HydrophobicContact CE1-CG 3.8Å; F55-F64 HydrophobicContact CE2-CB 4.47Å; F55-F64 HydrophobicContact CG-CB 4.08Å; F55-F64 HydrophobicContact CZ-CB 3.91Å; F55-F64 HydrophobicContact CZ-CD1 4.43Å; F55-F64 HydrophobicContact CZ-CD2 4.36Å; F55-F64 HydrophobicContact CZ-CG 4.01Å
56	P	93.3	Very high	95.4	Very high	85 Å²	85	53.8 Å²	53.8	55%	0.552	29%	0.288	S	S	*	.	S	Bend	trans	-58.9	-29.8	-178.7	-25.8	35.1	0	0	0	113.5	S54 Q65	S54-P56 WeakPolarHBondContact O-CD 3.2Å; P56-Q65 HydrophobicContact CG-CG 4.38Å
57	D	91.8	Very high	95.6	Very high	53 Å²	53	51.2 Å²	51.2	28%	0.283	28%	0.276	S	S	.	.	S	Bend	trans	-129.3	112.6	172.3	-178.3	-7.9	0	0	0	109.1	F55 N59 K60	F55-D57 PolarHBondContact O-N 2.77Å; D57-N59 PolarHBondContact O-N 3.48Å; D57-N59 WeakPolarHBondContact OD1-CB 3.33Å; D57-N59 PolarHBondContact OD1-N 2.89Å; D57-N59 PolarHBondContact OD1-ND2 2.79Å; D57-K60 HydrophobicContact CB-CB 4.15Å; D57-K60 HydrophobicContact CB-CD 4.15Å; D57-K60 HydrophobicContact CB-CG 4.17Å; D57-K60 PolarHBondContact O-N 3.28Å; D57-K60 WeakPolarHBondContact OD2-CD 3.5Å; D57-K60 VanDerWaalsContact OD2-CE 3.25Å; D57-K60 WeakPolarHBondContact OD2-CE 3.44Å; D57-K60 WeakPolarHBondContact OD2-CG 3.43Å; D57-K60 IonicContact OD2-NZ 3.94Å
58	E	87.4	Confident	95.8	Very high	118 Å²	118	49 Å²	49	55%	0.551	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.2	179.1	-62.8	179.3	-178.4	0	0	113.5
59	N	89.4	Confident	96	Very high	77 Å²	77	50.8 Å²	50.8	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8	174.3	-52.7	-76.6	0	0	0	112.9	D57	D57-N59 PolarHBondContact O-N 3.48Å; D57-N59 WeakPolarHBondContact OD1-CB 3.33Å; D57-N59 PolarHBondContact OD1-N 2.89Å; D57-N59 PolarHBondContact OD1-ND2 2.79Å
60	K	92.9	Very high	96	Very high	100 Å²	100	45.2 Å²	45.2	44%	0.435	24%	0.238	S	C	.	.			trans	-117.2	69.7	-179.7	-63.7	-179.2	-173.9	174.9	0	110.6	D57 H62 H63	D57-K60 HydrophobicContact CB-CB 4.15Å; D57-K60 HydrophobicContact CB-CD 4.15Å; D57-K60 HydrophobicContact CB-CG 4.17Å; D57-K60 PolarHBondContact O-N 3.28Å; D57-K60 WeakPolarHBondContact OD2-CD 3.5Å; D57-K60 VanDerWaalsContact OD2-CE 3.25Å; D57-K60 WeakPolarHBondContact OD2-CE 3.44Å; D57-K60 WeakPolarHBondContact OD2-CG 3.43Å; D57-K60 IonicContact OD2-NZ 3.94Å; K60-H62 PolarHBondContact O-N 3.14Å; K60-H63 HydrophobicContact CB-CB 4.47Å; K60-H63 PolarHBondContact O-N 2.81Å
61	L	95.6	Very high	96	Very high	22 Å²	22	49 Å²	49	12%	0.115	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20	175.9	-59.7	-175.9	0	0	0	113.5	L4 L36 V40 F55 H63	L4-L61 HydrophobicContact CD2-CD1 3.85Å; L4-L61 HydrophobicContact CD2-CG 4.09Å; L36-L61 HydrophobicContact CB-CB 4.17Å; L36-L61 HydrophobicContact CD1-CB 4.29Å; V40-L61 HydrophobicContact CG2-CB 4.44Å; F55-L61 HydrophobicContact CD1-CD2 4.26Å; F55-L61 HydrophobicContact CE1-CD2 4.38Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.44Å
62	H	97.1	Very high	96	Very high	51 Å²	51	53.6 Å²	53.6	24%	0.236	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.7	177.2	61.1	-96.2	0	0	0	113.5	L36 K60 D85 V86	L36-H62 HydrophobicContact CD1-CB 3.62Å; K60-H62 PolarHBondContact O-N 3.14Å; H62-D85 CarbonylContact O-C 3.54Å; H62-D85 WeakPolarHBondContact O-CA 3.28Å; H62-V86 HydrophobicContact CB-CB 4.04Å; H62-V86 PolarHBondContact O-N 3.33Å
63	H	97.9	Very high	96	Very high	42 Å²	42	49.5 Å²	49.5	19%	0.194	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.3	179.3	177.6	82.3	0	0	0	109.3	K60 L61 E83 I84 D85	K60-H63 HydrophobicContact CB-CB 4.47Å; K60-H63 PolarHBondContact O-N 2.81Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3.44Å; H63-E83 IonicContact CE1-OE1 3.1Å; H63-E83 PolarHBondContact CE1-OE1 3.3Å; H63-I84 WeakPolarHBondContact CA-O 3.25Å; H63-D85 IonicContact CE1-OD1 3.44Å; H63-D85 IonicContact CG-OD1 2.74Å; H63-D85 IonicContact ND1-OD1 3.6Å; H63-D85 PolarHBondContact ND1-OD1 2.74Å; H63-D85 IonicContact ND1-OD2 3.79Å
64	F	97.8	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.6	-179.2	70.3	-81.7	0	0	0	111.9	L43 A53 S54 F55 I84 V86 L135	L43-F64 HydrophobicContact CD2-CE2 4.04Å; L43-F64 HydrophobicContact CD2-CZ 4.22Å; A53-F64 HydrophobicContact CB-CD2 4.5Å; S54-F64 WeakPolarHBondContact O-CB 3.48Å; F55-F64 HydrophobicContact CD1-CB 3.5Å; F55-F64 VanDerWaalsContact CD1-CB 3.5Å; F55-F64 HydrophobicContact CD1-CG 4.39Å; F55-F64 HydrophobicContact CE1-CB 3.41Å; F55-F64 VanDerWaalsContact CE1-CB 3.41Å; F55-F64 HydrophobicContact CE1-CD1 4.04Å; F55-F64 AromaticContact CE1-CG 3.8Å; F55-F64 HydrophobicContact CE1-CG 3.8Å; F55-F64 HydrophobicContact CE2-CB 4.47Å; F55-F64 HydrophobicContact CG-CB 4.08Å; F55-F64 HydrophobicContact CZ-CB 3.91Å; F55-F64 HydrophobicContact CZ-CD1 4.43Å; F55-F64 HydrophobicContact CZ-CD2 4.36Å; F55-F64 HydrophobicContact CZ-CG 4.01Å; F64-I84 HydrophobicContact CD1-CB 4.1Å; F64-I84 HydrophobicContact CD1-CG2 4.18Å; F64-I84 HydrophobicContact CD2-CB 4.49Å; F64-I84 HydrophobicContact CD2-CD1 4.21Å; F64-I84 HydrophobicContact CE1-CB 3.75Å; F64-I84 HydrophobicContact CE1-CD1 4.36Å; F64-I84 HydrophobicContact CE1-CG2 3.44Å; F64-I84 VanDerWaalsContact CE1-CG2 3.44Å; F64-I84 HydrophobicContact CE2-CB 4.19Å; F64-I84 HydrophobicContact CE2-CD1 3.42Å; F64-I84 VanDerWaalsContact CE2-CD1 3.42Å; F64-I84 HydrophobicContact CE2-CG1 4.35Å; F64-I84 HydrophobicContact CE2-CG2 4.49Å; F64-I84 HydrophobicContact CG-CB 4.46Å; F64-I84 HydrophobicContact CZ-CB 3.8Å; F64-I84 HydrophobicContact CZ-CD1 3.5Å; F64-I84 HydrophobicContact CZ-CG1 4.24Å; F64-I84 HydrophobicContact CZ-CG2 3.63Å; F64-I84 PolarHBondContact N-O 3.47Å; F64-I84 PolarHBondContact O-N 3.23Å; F64-V86 HydrophobicContact CE1-CG2 4.44Å; F64-L135 HydrophobicContact CE1-CD1 3.94Å; F64-L135 HydrophobicContact CE1-CD2 4.28Å; F64-L135 HydrophobicContact CZ-CD1 4.24Å; F64-L135 HydrophobicContact CZ-CD2 4.46Å
65	Q	98.3	Very high	96.1	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.8	175.8	-66.3	-179.6	-5.6	0	0	110.3	A53 S54 P56 F82	A53-Q65 CarbonylContact C-O 3.53Å; A53-Q65 WeakPolarHBondContact CA-O 3.44Å; S54-Q65 PolarHBondContact N-O 2.85Å; S54-Q65 PolarHBondContact O-N 2.85Å; P56-Q65 HydrophobicContact CG-CG 4.38Å; Q65-F82 CarbonylContact C-O 3.57Å; Q65-F82 WeakPolarHBondContact CA-O 3.46Å
66	L	98.6	Very high	96.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.1	173.7	177.6	76.6	0	0	0	108.8	L47 C51 V68 Q81 F82 I84 V139 L142	L47-L66 HydrophobicContact CD2-CD1 4.41Å; C51-L66 HydrophobicContact CB-CD1 4.11Å; L66-V68 HydrophobicContact CD2-CG2 3.78Å; L66-V68 HydrophobicContact CG-CG2 4.06Å; L66-Q81 CarbonylContact O-C 3.39Å; L66-Q81 WeakPolarHBondContact O-CA 3.32Å; L66-F82 HydrophobicContact CB-CB 4.3Å; L66-F82 PolarHBondContact N-O 3.12Å; L66-F82 PolarHBondContact O-N 2.78Å; L66-I84 HydrophobicContact CB-CD1 3.92Å; L66-I84 HydrophobicContact CD2-CD1 4.4Å; L66-V139 HydrophobicContact CD1-CG1 3.77Å; L66-V139 HydrophobicContact CD1-CG2 4.07Å; L66-V139 HydrophobicContact CD2-CB 4.32Å; L66-V139 HydrophobicContact CD2-CG1 3.97Å; L66-V139 HydrophobicContact CD2-CG2 4.01Å; L66-L142 HydrophobicContact CD2-CB 4.26Å; L66-L142 HydrophobicContact CD2-CD1 3.77Å
67	A	98.5	Very high	96.4	Very high	11 Å²	11	51.9 Å²	51.9	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.2	166.1	0	0	0	0	0	109.4	C51 K52 F80	C51-A67 CarbonylContact C-O 3.58Å; C51-A67 WeakPolarHBondContact CA-O 3.38Å; K52-A67 PolarHBondContact N-O 2.95Å; K52-A67 PolarHBondContact O-N 3.27Å; A67-F80 CarbonylContact C-O 3.59Å; A67-F80 WeakPolarHBondContact CA-O 3.48Å
68	V	98.6	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.4	172.5	-175.6	0	0	0	0	108.3	T50 L66 P70 F80 F82 N143 F146	T50-V68 CarbonylContact O-C 3.56Å; T50-V68 WeakPolarHBondContact O-CA 3.45Å; L66-V68 HydrophobicContact CD2-CG2 3.78Å; L66-V68 HydrophobicContact CG-CG2 4.06Å; V68-P70 HydrophobicContact CG1-CG 4.27Å; V68-F80 PolarHBondContact N-O 2.7Å; V68-F80 PolarHBondContact O-N 2.87Å; V68-F82 HydrophobicContact CB-CE2 4.09Å; V68-F82 HydrophobicContact CG2-CD2 3.93Å; V68-F82 HydrophobicContact CG2-CE2 3.69Å; V68-N143 WeakPolarHBondContact CG1-OD1 3.21Å; V68-F146 HydrophobicContact CB-CE2 4.01Å; V68-F146 HydrophobicContact CG1-CD2 3.76Å; V68-F146 HydrophobicContact CG1-CE2 3.73Å; V68-F146 HydrophobicContact CG2-CE2 4.45Å
69	S	98.5	Very high	97.2	Very high	50 Å²	50	49.2 Å²	49.2	35%	0.35	26%	0.261	S	S	.	.			trans	-125.6	85.7	179	-51.3	0	0	0	0	109	T50 G78	T50-S69 VanDerWaalsContact CB-O 3.3Å; T50-S69 WeakPolarHBondContact CB-O 3.45Å; T50-S69 WeakPolarHBondContact CG2-O 3.4Å; T50-S69 PolarHBondContact O-N 3.05Å; S69-G78 WeakPolarHBondContact CA-O 2.98Å
70	P	98.3	Very high	97.6	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	24%	0.242	C	C	.	.			trans	-59.4	138.3	-178.8	-21.8	34	0	0	0	111.2	V68 Q76 S77 G78 F80 F146	V68-P70 HydrophobicContact CG1-CG 4.27Å; P70-Q76 WeakPolarHBondContact O-CA 3.38Å; P70-S77 PolarHBondContact O-N 3.23Å; P70-S77 VanDerWaalsContact O-N 3.16Å; P70-G78 WeakPolarHBondContact CD-O 3.33Å; P70-F80 HydrophobicContact CG-CD2 4.24Å; P70-F80 HydrophobicContact CG-CE2 4.08Å; P70-F146 HydrophobicContact CB-CB 4.09Å; P70-F146 HydrophobicContact CG-CB 3.61Å; P70-F146 HydrophobicContact CG-CD1 3.79Å; P70-F146 HydrophobicContact CG-CD2 4.04Å; P70-F146 HydrophobicContact CG-CE1 4.44Å; P70-F146 HydrophobicContact CG-CG 3.53Å
71	D	97.5	Very high	97.9	Very high	97 Å²	97	44.6 Å²	44.6	52%	0.519	24%	0.239	S	C	.	.	S	Bend	trans	-103.3	-0.6	178.4	58.6	-8.3	0	0	0	113.1	T50 Q76	T50-D71 HydrophobicContact CG2-CB 4.27Å; D71-Q76 WeakPolarHBondContact O-CG 3.26Å; D71-Q76 PolarHBondContact O-NE2 3.37Å
72	E	97.1	Very high	98.1	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	23%	0.233	S	C	.	.	S	Bend	trans	-142.9	178.3	175.7	68.2	179.3	164.8	0	0	112.6	Q76 T147	E72-Q76 PolarHBondContact O-N 3.04Å; E72-T147 HydrophobicContact CG-CG2 3.77Å; E72-T147 WeakPolarHBondContact OE1-CG2 3.42Å
73	G	97.6	Very high	98.1	Very high	53 Å²	53	43.1 Å²	43.1	55%	0.546	23%	0.231	S	C	.	.	S	Bend	trans	72.4	-166.7	175.5	0	0	0	0	0	115	Y75 Q76	G73-Y75 PolarHBondContact O-N 2.77Å; G73-Q76 PolarHBondContact O-N 2.75Å
74	Y	98.3	Very high	98.2	Very high	50 Å²	50	41.1 Å²	41.1	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28	-177.8	-66	-75.8	0	0	0	113.4	L150 H164 F171 R172 V175 Q176	Y74-L150 HydrophobicContact CD2-CD2 3.79Å; Y74-L150 HydrophobicContact CE2-CD2 4.19Å; Y74-H164 AromaticContact CZ-NE2 3.74Å; Y74-H164 PolarHBondContact OH-NE2 2.89Å; Y74-H164 VanDerWaalsContact OH-NE2 3.14Å; Y74-F171 HydrophobicContact CD1-CD1 4.17Å; Y74-F171 HydrophobicContact CD1-CE1 4.06Å; Y74-F171 HydrophobicContact CD2-CE1 4.23Å; Y74-F171 HydrophobicContact CE1-CD1 4.21Å; Y74-F171 HydrophobicContact CE1-CE1 4.36Å; Y74-F171 AromaticContact CG-CE1 4Å; Y74-F171 HydrophobicContact CG-CE1 4Å; Y74-R172 HydrophobicContact CD1-CB 4.22Å; Y74-R172 HydrophobicContact CD1-CG 4.25Å; Y74-R172 HydrophobicContact CE1-CB 4.43Å; Y74-V175 VanDerWaalsContact O-CG1 3.32Å; Y74-V175 WeakPolarHBondContact O-CG1 3.13Å; Y74-Q176 PolarHBondContact O-NE2 3.19Å
75	Y	98.6	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.5	-171.3	-53.6	-79.9	0	0	0	113.5	G73 S77 G78 F80 I103 W104 H105 P106 F146 L150 V175	G73-Y75 PolarHBondContact O-N 2.77Å; Y75-S77 PolarHBondContact O-N 2.75Å; Y75-G78 PolarHBondContact O-N 2.89Å; Y75-G78 VanDerWaalsContact O-N 3.09Å; Y75-F80 HydrophobicContact CD1-CZ 4.09Å; Y75-F80 HydrophobicContact CG-CZ 4.45Å; Y75-I103 HydrophobicContact CD1-CD1 3.94Å; Y75-I103 HydrophobicContact CD1-CG1 4.35Å; Y75-I103 HydrophobicContact CE1-CD1 3.91Å; Y75-I103 HydrophobicContact CE1-CG1 4.11Å; Y75-W104 WeakPolarHBondContact CE1-O 3.47Å; Y75-W104 PolarHBondContact OH-O 2.96Å; Y75-H105 HydrophobicContact CE1-CB 4.31Å; Y75-H105 AromaticContact CE1-CD2 3.77Å; Y75-H105 AromaticContact CE2-CD2 3.43Å; Y75-H105 VanDerWaalsContact CE2-CD2 3.43Å; Y75-H105 WeakPolarHBondContact CE2-CD2 3.45Å; Y75-H105 AromaticContact CE2-NE2 3.79Å; Y75-H105 AromaticContact CZ-CD2 3.18Å; Y75-H105 AromaticContact CZ-CG 3.9Å; Y75-H105 AromaticContact CZ-NE2 3.99Å; Y75-H105 WeakPolarHBondContact OH-CA 3.46Å; Y75-H105 PolarHBondContact OH-CD2 2.88Å; Y75-P106 WeakPolarHBondContact OH-CD 3.46Å; Y75-F146 HydrophobicContact CD1-CD1 4.4Å; Y75-F146 HydrophobicContact CD2-CB 4.37Å; Y75-F146 AromaticContact CD2-CD1 3.77Å; Y75-F146 HydrophobicContact CD2-CD1 3.77Å; Y75-F146 AromaticContact CG-CD1 3.71Å; Y75-F146 HydrophobicContact CG-CD1 3.71Å; Y75-F146 HydrophobicContact CG-CE1 4.34Å; Y75-L150 HydrophobicContact CE2-CD1 3.95Å; Y75-L150 HydrophobicContact CE2-CD2 4.1Å; Y75-V175 HydrophobicContact CD1-CG1 3.56Å; Y75-V175 HydrophobicContact CE1-CG1 3.67Å; Y75-V175 HydrophobicContact CE1-CG2 4.06Å; Y75-V175 HydrophobicContact CG-CG1 4.4Å
76	Q	97.9	Very high	98.2	Very high	95 Å²	95	41.4 Å²	41.4	44%	0.444	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	139.8	176.5	-173.9	179.8	29.1	0	0	111.1	P70 D71 E72 G73 G78	P70-Q76 WeakPolarHBondContact O-CA 3.38Å; D71-Q76 WeakPolarHBondContact O-CG 3.26Å; D71-Q76 PolarHBondContact O-NE2 3.37Å; E72-Q76 PolarHBondContact O-N 3.04Å; G73-Q76 PolarHBondContact O-N 2.75Å; Q76-G78 PolarHBondContact O-N 3.28Å
77	S	96	Very high	98.2	Very high	98 Å²	98	42.9 Å²	42.9	69%	0.685	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	1	-178.5	-45.4	0	0	0	0	115.6	P70 Y75	P70-S77 PolarHBondContact O-N 3.23Å; P70-S77 VanDerWaalsContact O-N 3.16Å; Y75-S77 PolarHBondContact O-N 2.75Å
78	G	98.2	Very high	98.1	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	26%	0.255	C	S	.	.			trans	-81.3	154.8	167.8	0	0	0	0	0	111.9	S69 P70 Y75 Q76 A183	S69-G78 WeakPolarHBondContact CA-O 2.98Å; P70-G78 WeakPolarHBondContact CD-O 3.33Å; Y75-G78 PolarHBondContact O-N 2.89Å; Y75-G78 VanDerWaalsContact O-N 3.09Å; Q76-G78 PolarHBondContact O-N 3.28Å; G78-A183 CarbonylContact C-O 3.46Å
79	R	98.5	Very high	98	Very high	113 Å²	113	50.2 Å²	50.2	43%	0.426	28%	0.277	S	S	.	.			trans	-124.6	110.2	172.7	-176.2	175.8	-178.7	177.6	-2	110.3	A183	R79-A183 PolarHBondContact N-O 2.91Å; R79-A183 WeakPolarHBondContact O-CB 3.3Å
80	F	98.8	Very high	97.9	Very high	2 Å²	2	48 Å²	48	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.7	-173.9	-51.7	-78.5	0	0	0	110.5	A67 V68 P70 Y75 F82 T101 I103 F146 I179 A183	A67-F80 CarbonylContact C-O 3.59Å; A67-F80 WeakPolarHBondContact CA-O 3.48Å; V68-F80 PolarHBondContact N-O 2.7Å; V68-F80 PolarHBondContact O-N 2.87Å; P70-F80 HydrophobicContact CG-CD2 4.24Å; P70-F80 HydrophobicContact CG-CE2 4.08Å; Y75-F80 HydrophobicContact CD1-CZ 4.09Å; Y75-F80 HydrophobicContact CG-CZ 4.45Å; F80-F82 HydrophobicContact CB-CE2 3.91Å; F80-F82 HydrophobicContact CB-CZ 4.4Å; F80-T101 HydrophobicContact CD1-CG2 3.86Å; F80-T101 HydrophobicContact CE1-CG2 4.49Å; F80-I103 HydrophobicContact CD1-CB 4.44Å; F80-I103 HydrophobicContact CD1-CD1 3.64Å; F80-I103 HydrophobicContact CD1-CG1 4.17Å; F80-I103 HydrophobicContact CE1-CB 4.34Å; F80-I103 HydrophobicContact CE1-CD1 3.42Å; F80-I103 VanDerWaalsContact CE1-CD1 3.42Å; F80-I103 HydrophobicContact CE1-CG1 3.72Å; F80-I103 HydrophobicContact CG-CD1 4.34Å; F80-I103 HydrophobicContact CZ-CD1 3.97Å; F80-I103 HydrophobicContact CZ-CG1 4.49Å; F80-F146 HydrophobicContact CB-CE1 4.36Å; F80-F146 HydrophobicContact CB-CZ 3.79Å; F80-F146 HydrophobicContact CD1-CE1 4.3Å; F80-F146 HydrophobicContact CD2-CD1 4.15Å; F80-F146 AromaticContact CD2-CE1 3.36Å; F80-F146 HydrophobicContact CD2-CE1 3.36Å; F80-F146 HydrophobicContact CD2-CE2 4.43Å; F80-F146 AromaticContact CD2-CZ 3.54Å; F80-F146 HydrophobicContact CD2-CZ 3.54Å; F80-F146 HydrophobicContact CE1-CE1 4.5Å; F80-F146 HydrophobicContact CE2-CD1 4.11Å; F80-F146 AromaticContact CE2-CE1 3.62Å; F80-F146 HydrophobicContact CE2-CE1 3.62Å; F80-F146 HydrophobicContact CE2-CZ 4.27Å; F80-F146 AromaticContact CG-CE1 3.73Å; F80-F146 HydrophobicContact CG-CE1 3.73Å; F80-F146 AromaticContact CG-CZ 3.67Å; F80-F146 HydrophobicContact CG-CZ 3.67Å; F80-F146 HydrophobicContact CZ-CE1 4.18Å; F80-I179 HydrophobicContact CE1-CG1 4.47Å; F80-I179 HydrophobicContact CZ-CD1 4.37Å; F80-I179 HydrophobicContact CZ-CG1 4Å; F80-A183 HydrophobicContact CD1-CB 4.09Å; F80-A183 HydrophobicContact CE1-CB 3.76Å; F80-A183 HydrophobicContact CZ-CB 4.34Å
81	Q	98.7	Very high	97.8	Very high	79 Å²	79	49.2 Å²	49.2	37%	0.369	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.8	-178.7	-64.4	-179.8	35.2	0	0	110.1	L66 L100 T101	L66-Q81 CarbonylContact O-C 3.39Å; L66-Q81 WeakPolarHBondContact O-CA 3.32Å; Q81-L100 HydrophobicContact CB-CB 4.07Å; Q81-L100 HydrophobicContact CB-CD1 4.32Å; Q81-L100 HydrophobicContact CB-CG 4.48Å; Q81-L100 WeakPolarHBondContact O-CB 3.49Å; Q81-L100 PolarHBondContact O-N 2.95Å; Q81-T101 PolarHBondContact N-OG1 3.36Å
82	F	98.8	Very high	97.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.3	176.7	-62	-93.9	0	0	0	109.4	Q65 L66 V68 F80 V97 R98 C99 I108 I114 L142 F146	Q65-F82 CarbonylContact C-O 3.57Å; Q65-F82 WeakPolarHBondContact CA-O 3.46Å; L66-F82 HydrophobicContact CB-CB 4.3Å; L66-F82 PolarHBondContact N-O 3.12Å; L66-F82 PolarHBondContact O-N 2.78Å; V68-F82 HydrophobicContact CB-CE2 4.09Å; V68-F82 HydrophobicContact CG2-CD2 3.93Å; V68-F82 HydrophobicContact CG2-CE2 3.69Å; F80-F82 HydrophobicContact CB-CE2 3.91Å; F80-F82 HydrophobicContact CB-CZ 4.4Å; F82-V97 HydrophobicContact CB-CG1 4.28Å; F82-V97 HydrophobicContact CD1-CG1 4.14Å; F82-R98 CarbonylContact C-O 3.53Å; F82-R98 VanDerWaalsContact CA-O 3.31Å; F82-R98 WeakPolarHBondContact CA-O 3.46Å; F82-C99 HydrophobicContact CD1-CB 3.93Å; F82-C99 HydrophobicContact CE1-CB 3.77Å; F82-I108 HydrophobicContact CE1-CD1 4.18Å; F82-I108 HydrophobicContact CZ-CD1 4.1Å; F82-I114 HydrophobicContact CD1-CD1 3.61Å; F82-I114 HydrophobicContact CE1-CD1 3.68Å; F82-I114 HydrophobicContact CE1-CG1 4.42Å; F82-L142 HydrophobicContact CD1-CD2 4.17Å; F82-L142 HydrophobicContact CE1-CD2 4.09Å; F82-L142 HydrophobicContact CG-CD1 4.46Å; F82-F146 HydrophobicContact CE2-CE2 4.01Å; F82-F146 HydrophobicContact CE2-CZ 4.06Å; F82-F146 AromaticContact CZ-CE2 3.86Å; F82-F146 HydrophobicContact CZ-CE2 3.86Å; F82-F146 AromaticContact CZ-CZ 3.77Å; F82-F146 HydrophobicContact CZ-CZ 3.77Å
83	E	98.6	Very high	97.7	Very high	41 Å²	41	47.1 Å²	47.1	19%	0.192	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.3	168.6	177.4	173.5	-103.3	0	0	108.6	H63 V97 R98 L100	H63-E83 IonicContact CE1-OE1 3.1Å; H63-E83 PolarHBondContact CE1-OE1 3.3Å; E83-V97 WeakPolarHBondContact O-CA 3.49Å; E83-R98 PolarHBondContact N-O 2.93Å; E83-R98 PolarHBondContact O-N 3Å; E83-R98 IonicContact OE1-NH2 2.72Å; E83-R98 IonicContact OE2-CZ 3.85Å; E83-R98 IonicContact OE2-NE 3.92Å; E83-R98 PolarHBondContact OE2-NE 3.19Å; E83-R98 IonicContact OE2-NH2 3.45Å; E83-R98 PolarHBondContact OE2-NH2 2.75Å; E83-L100 HydrophobicContact CB-CD1 4.17Å; E83-L100 HydrophobicContact CB-CD2 3.77Å; E83-L100 HydrophobicContact CB-CG 4.11Å
84	I	98.6	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.4	-177.4	-59.8	165.5	0	0	0	108.6	H63 F64 L66 P95 K96 V97 L142	H63-I84 WeakPolarHBondContact CA-O 3.25Å; F64-I84 HydrophobicContact CD1-CB 4.1Å; F64-I84 HydrophobicContact CD1-CG2 4.18Å; F64-I84 HydrophobicContact CD2-CB 4.49Å; F64-I84 HydrophobicContact CD2-CD1 4.21Å; F64-I84 HydrophobicContact CE1-CB 3.75Å; F64-I84 HydrophobicContact CE1-CD1 4.36Å; F64-I84 HydrophobicContact CE1-CG2 3.44Å; F64-I84 VanDerWaalsContact CE1-CG2 3.44Å; F64-I84 HydrophobicContact CE2-CB 4.19Å; F64-I84 HydrophobicContact CE2-CD1 3.42Å; F64-I84 VanDerWaalsContact CE2-CD1 3.42Å; F64-I84 HydrophobicContact CE2-CG1 4.35Å; F64-I84 HydrophobicContact CE2-CG2 4.49Å; F64-I84 HydrophobicContact CG-CB 4.46Å; F64-I84 HydrophobicContact CZ-CB 3.8Å; F64-I84 HydrophobicContact CZ-CD1 3.5Å; F64-I84 HydrophobicContact CZ-CG1 4.24Å; F64-I84 HydrophobicContact CZ-CG2 3.63Å; F64-I84 PolarHBondContact N-O 3.47Å; F64-I84 PolarHBondContact O-N 3.23Å; L66-I84 HydrophobicContact CB-CD1 3.92Å; L66-I84 HydrophobicContact CD2-CD1 4.4Å; I84-P95 HydrophobicContact CG2-CB 3.9Å; I84-K96 WeakPolarHBondContact CA-O 3.49Å; I84-V97 HydrophobicContact CG1-CG1 3.99Å; I84-V97 HydrophobicContact CG1-CG2 4.15Å; I84-V97 HydrophobicContact CG2-CG2 4.45Å; I84-L142 HydrophobicContact CD1-CD1 4.15Å
85	D	98.4	Very high	97.7	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.5	179.3	-80.5	-66.9	0	0	0	110.8	H62 H63 P87 P95 K96	H62-D85 CarbonylContact O-C 3.54Å; H62-D85 WeakPolarHBondContact O-CA 3.28Å; H63-D85 IonicContact CE1-OD1 3.44Å; H63-D85 IonicContact CG-OD1 2.74Å; H63-D85 IonicContact ND1-OD1 3.6Å; H63-D85 PolarHBondContact ND1-OD1 2.74Å; H63-D85 IonicContact ND1-OD2 3.79Å; D85-P87 WeakPolarHBondContact O-CD 3.34Å; D85-P95 WeakPolarHBondContact O-CA 3.5Å; D85-K96 HydrophobicContact CB-CB 4.38Å; D85-K96 PolarHBondContact N-O 3.17Å; D85-K96 PolarHBondContact O-N 3.46Å
86	V	98.4	Very high	97.7	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.024	26%	0.257	C	S	.	.			trans	-92.3	111.6	-178.8	-172.3	0	0	0	0	109.8	R32 L36 H62 F64 Y90 P95 L135	R32-V86 WeakPolarHBondContact CD-O 3.45Å; R32-V86 HydrophobicContact CG-CG1 3.99Å; R32-V86 PolarHBondContact NH1-O 3.07Å; L36-V86 HydrophobicContact CD1-CB 4.45Å; L36-V86 HydrophobicContact CD1-CG1 4.47Å; L36-V86 HydrophobicContact CD2-CB 4.38Å; L36-V86 HydrophobicContact CD2-CG1 4.15Å; L36-V86 HydrophobicContact CD2-CG2 4.08Å; H62-V86 HydrophobicContact CB-CB 4.04Å; H62-V86 PolarHBondContact O-N 3.33Å; F64-V86 HydrophobicContact CE1-CG2 4.44Å; V86-Y90 VanDerWaalsContact CG1-CB 3.45Å; V86-Y90 HydrophobicContact CG1-CD1 3.85Å; V86-Y90 HydrophobicContact CG1-CD2 3.58Å; V86-Y90 HydrophobicContact CG1-CE2 4.31Å; V86-Y90 HydrophobicContact CG1-CG 3.32Å; V86-P95 HydrophobicContact CG2-CB 4.28Å; V86-P95 HydrophobicContact CG2-CG 4.33Å; V86-L135 HydrophobicContact CG2-CD2 3.83Å
87	P	97.8	Very high	97.7	Very high	31 Å²	31	46.5 Å²	46.5	20%	0.201	24%	0.243	C	C	.	.			trans	-69.6	158.8	-175.4	30.6	-36.2	0	0	0	111.8	R32 D85 A89 Y90 V93 P94	R32-P87 VanDerWaalsContact CD-O 3.26Å; R32-P87 WeakPolarHBondContact CD-O 3.46Å; D85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-A89 PolarHBondContact O-N 2.86Å; P87-A89 VanDerWaalsContact O-N 3.15Å; P87-Y90 WeakPolarHBondContact O-CB 3.46Å; P87-Y90 PolarHBondContact O-N 2.71Å; P87-V93 HydrophobicContact CG-CB 4.17Å; P87-V93 HydrophobicContact CG-CG1 4.05Å; P87-P94 WeakPolarHBondContact CD-O 3.42Å; P87-P94 WeakPolarHBondContact CG-O 3.46Å
88	E	96.6	Very high	97.9	Very high	111 Å²	111	47 Å²	47	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.7	178.1	-166.3	62.1	-145.3	0	0	112.9	S30 R32 Y90	S30-E88 WeakPolarHBondContact CB-OE1 3.49Å; S30-E88 PolarHBondContact OG-OE1 2.98Å; R32-E88 IonicContact CZ-OE2 3.57Å; R32-E88 IonicContact NE-OE2 3.37Å; R32-E88 IonicContact NH1-OE2 2.75Å; R32-E88 PolarHBondContact NH1-OE2 2.81Å; R32-E88 IonicContact NH2-OE2 3.11Å; R32-E88 PolarHBondContact NH2-OE2 3.18Å; E88-Y90 PolarHBondContact O-N 2.76Å
89	A	96.6	Very high	97.9	Very high	55 Å²	55	47 Å²	47	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	1.8	176.8	0	0	0	0	0	114.2	P87 M92 V93	P87-A89 PolarHBondContact O-N 2.86Å; P87-A89 VanDerWaalsContact O-N 3.15Å; A89-M92 WeakPolarHBondContact O-CB 3.31Å; A89-M92 PolarHBondContact O-N 2.89Å; A89-V93 HydrophobicContact CB-CB 4.14Å; A89-V93 HydrophobicContact CB-CG2 3.71Å; A89-V93 PolarHBondContact O-N 3.27Å
90	Y	97.4	Very high	97.9	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.016	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	136.2	175.1	-177	-96	0	0	0	111.2	R32 L35 E39 V86 P87 E88 P95 W129	R32-Y90 HydrophobicContact CG-CD1 4.2Å; R32-Y90 HydrophobicContact CG-CG 4.48Å; L35-Y90 HydrophobicContact CB-CD1 4.35Å; L35-Y90 HydrophobicContact CB-CE1 3.96Å; L35-Y90 HydrophobicContact CD1-CD1 3.95Å; L35-Y90 HydrophobicContact CD1-CE1 3.89Å; E39-Y90 WeakPolarHBondContact OE1-CE1 3.44Å; E39-Y90 PolarHBondContact OE1-OH 3.01Å; E39-Y90 PolarHBondContact OE2-OH 3.32Å; V86-Y90 VanDerWaalsContact CG1-CB 3.45Å; V86-Y90 HydrophobicContact CG1-CD1 3.85Å; V86-Y90 HydrophobicContact CG1-CD2 3.58Å; V86-Y90 HydrophobicContact CG1-CE2 4.31Å; V86-Y90 HydrophobicContact CG1-CG 3.32Å; P87-Y90 WeakPolarHBondContact O-CB 3.46Å; P87-Y90 PolarHBondContact O-N 2.71Å; E88-Y90 PolarHBondContact O-N 2.76Å; Y90-P95 HydrophobicContact CD2-CG 4.4Å; Y90-P95 HydrophobicContact CE2-CG 4.2Å; Y90-W129 HydrophobicContact CD2-CZ2 4.12Å; Y90-W129 AromaticContact CE2-CH2 3.76Å; Y90-W129 HydrophobicContact CE2-CH2 3.76Å; Y90-W129 AromaticContact CE2-CZ2 3.49Å; Y90-W129 HydrophobicContact CE2-CZ2 3.49Å; Y90-W129 VanDerWaalsContact CE2-CZ2 3.49Å
91	N	95.6	Very high	97.9	Very high	29 Å²	29	44.8 Å²	44.8	16%	0.155	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.3	17.9	11	63.7	-19.4	0	0	0	115.2	L35 W129 P131	L35-N91 HydrophobicContact CD1-CB 3.96Å; N91-W129 PolarHBondContact O-NE1 2.72Å; N91-P131 PolarHBondContact ND2-O 2.94Å; N91-P131 WeakPolarHBondContact O-CA 3.36Å
92	M	95.8	Very high	97.9	Very high	129 Å²	129	46.2 Å²	46.2	64%	0.635	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-32.3	177	-59.7	-62.5	149.2	0	0	112	A89 P131	A89-M92 WeakPolarHBondContact O-CB 3.31Å; A89-M92 PolarHBondContact O-N 2.89Å; M92-P131 HydrophobicContact CE-CB 4.34Å; M92-P131 HydrophobicContact CE-CG 4.25Å; M92-P131 HydrophobicContact SD-CB 4.42Å; M92-P131 HydrophobicContact SD-CG 3.74Å
93	V	96.7	Very high	97.9	Very high	35 Å²	35	46.4 Å²	46.4	21%	0.212	23%	0.229	C	C	.	.	S	Bend	trans	-111.4	139.1	176.4	-179.5	0	0	0	0	109.1	P87 A89	P87-V93 HydrophobicContact CG-CB 4.17Å; P87-V93 HydrophobicContact CG-CG1 4.05Å; A89-V93 HydrophobicContact CB-CB 4.14Å; A89-V93 HydrophobicContact CB-CG2 3.71Å; A89-V93 PolarHBondContact O-N 3.27Å
94	P	97.9	Very high	97.9	Very high	9 Å²	9	45 Å²	45	6%	0.058	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-63.6	158.1	178.7	23.2	-31.8	0	0	0	112.5	P87 L119 W129	P87-P94 WeakPolarHBondContact CD-O 3.42Å; P87-P94 WeakPolarHBondContact CG-O 3.46Å; P94-L119 HydrophobicContact CB-CD2 4.38Å; P94-L119 VanDerWaalsContact CG-O 3.28Å; P94-L119 WeakPolarHBondContact CG-O 3.15Å; P94-W129 HydrophobicContact CB-CB 3.91Å; P94-W129 HydrophobicContact CB-CD2 3.52Å; P94-W129 HydrophobicContact CB-CE3 3.7Å; P94-W129 HydrophobicContact CB-CG 3.6Å; P94-W129 HydrophobicContact CB-CZ3 4.46Å; P94-W129 HydrophobicContact CG-CB 3.94Å; P94-W129 HydrophobicContact CG-CD2 4.4Å; P94-W129 HydrophobicContact CG-CG 3.96Å
95	P	98.3	Very high	97.9	Very high	4 Å²	4	45 Å²	45	3%	0.026	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-58.2	145	163.4	-22.4	35.2	0	0	0	111.4	I84 D85 V86 Y90 L135 V138	I84-P95 HydrophobicContact CG2-CB 3.9Å; D85-P95 WeakPolarHBondContact O-CA 3.5Å; V86-P95 HydrophobicContact CG2-CB 4.28Å; V86-P95 HydrophobicContact CG2-CG 4.33Å; Y90-P95 HydrophobicContact CD2-CG 4.4Å; Y90-P95 HydrophobicContact CE2-CG 4.2Å; P95-L135 HydrophobicContact CG-CD2 3.74Å; P95-V138 HydrophobicContact CG-CG2 4.19Å
96	K	98.3	Very high	97.9	Very high	148 Å²	148	42.2 Å²	42.2	64%	0.643	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.2	168.6	-63.8	-177.6	-179.7	-177.4	0	108.3	I84 D85	I84-K96 WeakPolarHBondContact CA-O 3.49Å; D85-K96 HydrophobicContact CB-CB 4.38Å; D85-K96 PolarHBondContact N-O 3.17Å; D85-K96 PolarHBondContact O-N 3.46Å
97	V	98.6	Very high	97.9	Very high	24 Å²	24	42.3 Å²	42.3	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.8	-179.5	-169.6	0	0	0	0	109.6	F82 E83 I84 I114 L119 V138 L142	F82-V97 HydrophobicContact CB-CG1 4.28Å; F82-V97 HydrophobicContact CD1-CG1 4.14Å; E83-V97 WeakPolarHBondContact O-CA 3.49Å; I84-V97 HydrophobicContact CG1-CG1 3.99Å; I84-V97 HydrophobicContact CG1-CG2 4.15Å; I84-V97 HydrophobicContact CG2-CG2 4.45Å; V97-I114 HydrophobicContact CB-CD1 4.04Å; V97-I114 HydrophobicContact CG1-CD1 3.51Å; V97-L119 HydrophobicContact CB-CD1 3.93Å; V97-L119 HydrophobicContact CG2-CD1 3.68Å; V97-L119 HydrophobicContact CG2-CD2 4.06Å; V97-V138 HydrophobicContact CG2-CG1 3.98Å; V97-L142 HydrophobicContact CG1-CD1 3.81Å; V97-L142 HydrophobicContact CG1-CD2 3.99Å
98	R	98.6	Very high	97.9	Very high	107 Å²	107	40.8 Å²	40.8	40%	0.404	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.4	174.8	-173.6	176	62.5	88	-3.8	110.3	F82 E83 G112	F82-R98 CarbonylContact C-O 3.53Å; F82-R98 VanDerWaalsContact CA-O 3.31Å; F82-R98 WeakPolarHBondContact CA-O 3.46Å; E83-R98 PolarHBondContact N-O 2.93Å; E83-R98 PolarHBondContact O-N 3Å; E83-R98 IonicContact OE1-NH2 2.72Å; E83-R98 IonicContact OE2-CZ 3.85Å; E83-R98 IonicContact OE2-NE 3.92Å; E83-R98 PolarHBondContact OE2-NE 3.19Å; E83-R98 IonicContact OE2-NH2 3.45Å; E83-R98 PolarHBondContact OE2-NH2 2.75Å; R98-G112 CarbonylContact C-O 3.57Å; R98-G112 WeakPolarHBondContact CA-O 3.49Å; R98-G112 WeakPolarHBondContact CG-O 3.31Å
99	C	98.8	Very high	98	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.5	169.7	-170.2	0	0	0	0	109.1	F82 T101 I108 G112 I114	F82-C99 HydrophobicContact CD1-CB 3.93Å; F82-C99 HydrophobicContact CE1-CB 3.77Å; C99-T101 PolarHBondContact SG-O 2.85Å; C99-I108 HydrophobicContact CB-CG2 3.66Å; C99-G112 PolarHBondContact N-O 2.93Å; C99-G112 WeakPolarHBondContact O-CA 3.47Å; C99-I114 HydrophobicContact CB-CD1 4.42Å; C99-I114 HydrophobicContact CB-CG1 4.47Å
100	L	98.6	Very high	98.1	Very high	58 Å²	58	36.2 Å²	36.2	30%	0.304	17%	0.169	S	C	.	.			trans	-89.7	-22.9	177.1	-54	-173.3	0	0	0	111.7	Q81 E83	Q81-L100 HydrophobicContact CB-CB 4.07Å; Q81-L100 HydrophobicContact CB-CD1 4.32Å; Q81-L100 HydrophobicContact CB-CG 4.48Å; Q81-L100 WeakPolarHBondContact O-CB 3.49Å; Q81-L100 PolarHBondContact O-N 2.95Å; E83-L100 HydrophobicContact CB-CD1 4.17Å; E83-L100 HydrophobicContact CB-CD2 3.77Å; E83-L100 HydrophobicContact CB-CG 4.11Å
101	T	98.6	Very high	98.1	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	20%	0.204	C	C	.	.	S	Bend	trans	-91.5	122.1	-178	-57.8	0	0	0	0	110	F80 Q81 C99 I103 Y182 A183	F80-T101 HydrophobicContact CD1-CG2 3.86Å; F80-T101 HydrophobicContact CE1-CG2 4.49Å; Q81-T101 PolarHBondContact N-OG1 3.36Å; C99-T101 PolarHBondContact SG-O 2.85Å; T101-I103 PolarHBondContact O-N 3.09Å; T101-Y182 WeakPolarHBondContact CG2-O 3.36Å; T101-A183 HydrophobicContact CG2-CB 3.64Å
102	R	98.5	Very high	98.2	Very high	109 Å²	109	41.5 Å²	41.5	41%	0.411	20%	0.198	S	C	.	.			trans	-60.3	128.9	172.2	-171.8	177	-176.2	-174.7	3.4	109.8	E110 Y178 Y182	R102-E110 HydrophobicContact CG-CB 4.17Å; R102-E110 HydrophobicContact CG-CG 4.37Å; R102-E110 IonicContact CZ-OE2 2.68Å; R102-E110 IonicContact NE-OE2 3.39Å; R102-E110 PolarHBondContact NE-OE2 3.22Å; R102-E110 IonicContact NH2-OE2 3.01Å; R102-E110 PolarHBondContact NH2-OE2 3.27Å; R102-Y178 HydrophobicContact CG-CE1 4.31Å; R102-Y182 HydrophobicContact CB-CD1 4.36Å; R102-Y182 HydrophobicContact CB-CD2 4.19Å; R102-Y182 HydrophobicContact CB-CG 4.01Å; R102-Y182 HydrophobicContact CG-CD2 4.34Å; R102-Y182 HydrophobicContact CG-CE2 4.46Å; R102-Y182 PolarHBondContact NH1-OH 3.37Å
103	I	98.8	Very high	98.3	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	19%	0.194	C	C	.	.			trans	-144.6	144.3	-171.1	-168.7	178.8	0	0	0	111.7	Y75 F80 T101 H105 I108 E110 F146	Y75-I103 HydrophobicContact CD1-CD1 3.94Å; Y75-I103 HydrophobicContact CD1-CG1 4.35Å; Y75-I103 HydrophobicContact CE1-CD1 3.91Å; Y75-I103 HydrophobicContact CE1-CG1 4.11Å; F80-I103 HydrophobicContact CD1-CB 4.44Å; F80-I103 HydrophobicContact CD1-CD1 3.64Å; F80-I103 HydrophobicContact CD1-CG1 4.17Å; F80-I103 HydrophobicContact CE1-CB 4.34Å; F80-I103 HydrophobicContact CE1-CD1 3.42Å; F80-I103 VanDerWaalsContact CE1-CD1 3.42Å; F80-I103 HydrophobicContact CE1-CG1 3.72Å; F80-I103 HydrophobicContact CG-CD1 4.34Å; F80-I103 HydrophobicContact CZ-CD1 3.97Å; F80-I103 HydrophobicContact CZ-CG1 4.49Å; T101-I103 PolarHBondContact O-N 3.09Å; I103-H105 HydrophobicContact CD1-CB 3.84Å; I103-H105 HydrophobicContact CG1-CB 3.95Å; I103-H105 HydrophobicContact CG2-CB 4.04Å; I103-I108 HydrophobicContact CG2-CB 3.95Å; I103-I108 HydrophobicContact CG2-CG2 3.63Å; I103-E110 WeakPolarHBondContact O-CG 3.32Å; I103-F146 HydrophobicContact CD1-CE1 3.67Å; I103-F146 HydrophobicContact CD1-CZ 4.43Å
104	W	98.8	Very high	98.3	Very high	13 Å²	13	40.9 Å²	40.9	5%	0.049	19%	0.191	C	C	.	.			trans	-92.5	90.6	168.9	-168.1	-108	0	0	0	109.8	Y75 E110 D159 A160 H163 F171 K174 V175 Y178	Y75-W104 WeakPolarHBondContact CE1-O 3.47Å; Y75-W104 PolarHBondContact OH-O 2.96Å; W104-E110 VanDerWaalsContact CZ3-OE1 3.25Å; W104-E110 WeakPolarHBondContact CZ3-OE1 3.38Å; W104-D159 HydrophobicContact CH2-CB 3.63Å; W104-D159 HydrophobicContact CZ2-CB 4.24Å; W104-A160 HydrophobicContact CD2-CB 4.2Å; W104-A160 VanDerWaalsContact CZ2-CA 3.48Å; W104-A160 HydrophobicContact CZ2-CB 4.08Å; W104-H163 AromaticContact CE2-ND1 3.74Å; W104-H163 HydrophobicContact CZ2-CB 4.07Å; W104-H163 AromaticContact CZ2-ND1 3.81Å; W104-H163 AromaticContact NE1-ND1 3.28Å; W104-H163 PolarHBondContact NE1-ND1 3.14Å; W104-F171 AromaticContact CD1-CD2 3.76Å; W104-F171 AromaticContact CD1-CE2 3.51Å; W104-F171 AromaticContact NE1-CD2 3.53Å; W104-F171 AromaticContact NE1-CE2 3.57Å; W104-K174 HydrophobicContact CD2-CD 3.87Å; W104-K174 HydrophobicContact CD2-CG 4.43Å; W104-K174 HydrophobicContact CE3-CD 4.47Å; W104-K174 HydrophobicContact CG-CD 4.07Å; W104-K174 HydrophobicContact CG-CG 4.13Å; W104-K174 HydrophobicContact CZ2-CD 4.2Å; W104-K174 VanDerWaalsContact CZ3-NZ 3.32Å; W104-V175 HydrophobicContact CB-CG2 4.39Å; W104-Y178 HydrophobicContact CB-CD1 3.87Å; W104-Y178 HydrophobicContact CB-CD2 4.26Å; W104-Y178 HydrophobicContact CB-CE1 4.01Å; W104-Y178 HydrophobicContact CB-CE2 4.42Å; W104-Y178 HydrophobicContact CB-CG 3.96Å; W104-Y178 HydrophobicContact CE3-CE1 4.29Å; W104-Y178 AromaticContact CE3-CZ 3.99Å
105	H	98.8	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.			trans	-141.7	141.4	-171.3	-169.8	-74.5	0	0	0	111.7	Y75 I103 N107 I108 L145 L150 N157	Y75-H105 HydrophobicContact CE1-CB 4.31Å; Y75-H105 AromaticContact CE1-CD2 3.77Å; Y75-H105 AromaticContact CE2-CD2 3.43Å; Y75-H105 VanDerWaalsContact CE2-CD2 3.43Å; Y75-H105 WeakPolarHBondContact CE2-CD2 3.45Å; Y75-H105 AromaticContact CE2-NE2 3.79Å; Y75-H105 AromaticContact CZ-CD2 3.18Å; Y75-H105 AromaticContact CZ-CG 3.9Å; Y75-H105 AromaticContact CZ-NE2 3.99Å; Y75-H105 WeakPolarHBondContact OH-CA 3.46Å; Y75-H105 PolarHBondContact OH-CD2 2.88Å; I103-H105 HydrophobicContact CD1-CB 3.84Å; I103-H105 HydrophobicContact CG1-CB 3.95Å; I103-H105 HydrophobicContact CG2-CB 4.04Å; H105-N107 PolarHBondContact ND1-N 2.82Å; H105-I108 HydrophobicContact CB-CB 4.03Å; H105-I108 PolarHBondContact ND1-N 3.47Å; H105-L145 PolarHBondContact CE1-O 2.98Å; H105-L145 PolarHBondContact NE2-O 2.82Å; H105-L150 WeakPolarHBondContact NE2-CD1 3.39Å; H105-N157 WeakPolarHBondContact O-CB 3.14Å; H105-N157 PolarHBondContact O-ND2 3.34Å
106	P	98.4	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-69.4	-34.3	-178.3	28.7	-36.9	0	0	0	113.5	Y75 L150 N151 F152 P155 L156 N157 A161	Y75-P106 WeakPolarHBondContact OH-CD 3.46Å; P106-L150 HydrophobicContact CG-CD1 3.49Å; P106-L150 VanDerWaalsContact CG-CD1 3.49Å; P106-N151 WeakPolarHBondContact CB-O 3.39Å; P106-F152 HydrophobicContact CB-CD1 3.85Å; P106-F152 HydrophobicContact CB-CE1 4.05Å; P106-F152 HydrophobicContact CG-CD1 3.83Å; P106-F152 HydrophobicContact CG-CE1 3.65Å; P106-F152 HydrophobicContact CG-CG 4.37Å; P106-F152 HydrophobicContact CG-CZ 4.03Å; P106-P155 HydrophobicContact CB-CB 4Å; P106-P155 CarbonylContact O-C 3.58Å; P106-L156 PolarHBondContact O-N 3.46Å; P106-N157 PolarHBondContact O-N 2.89Å; P106-A161 HydrophobicContact CB-CB 4.42Å
107	N	98.5	Very high	97.9	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.027	19%	0.188	C	C	.	.	S	Bend	trans	-101	2.9	-179.7	-41.5	104.4	0	0	0	114.8	H105 C115 L145 N151	H105-N107 PolarHBondContact ND1-N 2.82Å; N107-C115 HydrophobicContact CB-CB 4.37Å; N107-C115 PolarHBondContact O-N 2.97Å; N107-L145 HydrophobicContact CB-CD2 4.15Å; N107-N151 PolarHBondContact ND2-O 3.15Å; N107-N151 PolarHBondContact OD1-N 3.49Å; N107-N151 PolarHBondContact OD1-O 3.16Å
108	I	98.6	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-133.2	122.4	178.2	-54.4	169.3	0	0	0	107.7	F82 C99 I103 H105 E113 I114 L145 F146	F82-I108 HydrophobicContact CE1-CD1 4.18Å; F82-I108 HydrophobicContact CZ-CD1 4.1Å; C99-I108 HydrophobicContact CB-CG2 3.66Å; I103-I108 HydrophobicContact CG2-CB 3.95Å; I103-I108 HydrophobicContact CG2-CG2 3.63Å; H105-I108 HydrophobicContact CB-CB 4.03Å; H105-I108 PolarHBondContact ND1-N 3.47Å; I108-E113 CarbonylContact C-O 3.55Å; I108-E113 VanDerWaalsContact CA-O 3.3Å; I108-E113 WeakPolarHBondContact CA-O 3.48Å; I108-I114 HydrophobicContact CG1-CG1 4.35Å; I108-I114 HydrophobicContact CG2-CG1 4.26Å; I108-L145 HydrophobicContact CD1-CD1 4.22Å; I108-L145 HydrophobicContact CG1-CD1 4.25Å; I108-F146 HydrophobicContact CD1-CZ 4.21Å
109	T	98.4	Very high	97.7	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.117	17%	0.173	C	C	.	.			trans	-78.1	159.1	178.5	70.2	0	0	0	0	111.5	N111 G112 E113 L156	T109-N111 PolarHBondContact O-N 3Å; T109-N111 VanDerWaalsContact O-N 3.17Å; T109-G112 PolarHBondContact O-N 3.4Å; T109-G112 PolarHBondContact OG1-N 3.38Å; T109-E113 HydrophobicContact CG2-CB 4.24Å; T109-E113 PolarHBondContact N-O 3.48Å; T109-E113 WeakPolarHBondContact OG1-CB 3.28Å; T109-E113 PolarHBondContact OG1-N 2.78Å; T109-E113 VanDerWaalsContact OG1-N 3.09Å; T109-L156 HydrophobicContact CG2-CB 4.46Å; T109-L156 HydrophobicContact CG2-CD2 3.59Å; T109-L156 HydrophobicContact CG2-CG 3.61Å
110	E	97.9	Very high	97.4	Very high	50 Å²	50	38.2 Å²	38.2	23%	0.234	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	175.6	-67.4	-166.9	-159.6	0	0	113.4	R102 I103 W104 G112 Y178	R102-E110 HydrophobicContact CG-CB 4.17Å; R102-E110 HydrophobicContact CG-CG 4.37Å; R102-E110 IonicContact CZ-OE2 2.68Å; R102-E110 IonicContact NE-OE2 3.39Å; R102-E110 PolarHBondContact NE-OE2 3.22Å; R102-E110 IonicContact NH2-OE2 3.01Å; R102-E110 PolarHBondContact NH2-OE2 3.27Å; I103-E110 WeakPolarHBondContact O-CG 3.32Å; W104-E110 VanDerWaalsContact CZ3-OE1 3.25Å; W104-E110 WeakPolarHBondContact CZ3-OE1 3.38Å; E110-G112 VanDerWaalsContact C-N 3.32Å; E110-Y178 HydrophobicContact CG-CE1 4.27Å; E110-Y178 WeakPolarHBondContact OE1-CE1 3.45Å; E110-Y178 PolarHBondContact OE1-OH 2.84Å
111	N	96.9	Very high	97	Very high	144 Å²	144	40.5 Å²	40.5	77%	0.77	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.3	175.1	-65.6	-23.9	0	0	0	113.2	T109	T109-N111 PolarHBondContact O-N 3Å; T109-N111 VanDerWaalsContact O-N 3.17Å
112	G	97.9	Very high	96.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	23%	0.231	C	C	.	.	S	Bend	trans	98	9	172.7	0	0	0	0	0	115.9	R98 C99 T109 E110	R98-G112 CarbonylContact C-O 3.57Å; R98-G112 WeakPolarHBondContact CA-O 3.49Å; R98-G112 WeakPolarHBondContact CG-O 3.31Å; C99-G112 PolarHBondContact N-O 2.93Å; C99-G112 WeakPolarHBondContact O-CA 3.47Å; T109-G112 PolarHBondContact O-N 3.4Å; T109-G112 PolarHBondContact OG1-N 3.38Å; E110-G112 VanDerWaalsContact C-N 3.32Å
113	E	98.1	Very high	95.5	Very high	122 Å²	122	44.2 Å²	44.2	57%	0.57	22%	0.223	S	C	*	.			trans	-75.3	146.8	173.1	-57.9	172.5	143.5	0	0	110.1	I108 T109 L156	I108-E113 CarbonylContact C-O 3.55Å; I108-E113 VanDerWaalsContact CA-O 3.3Å; I108-E113 WeakPolarHBondContact CA-O 3.48Å; T109-E113 HydrophobicContact CG2-CB 4.24Å; T109-E113 PolarHBondContact N-O 3.48Å; T109-E113 WeakPolarHBondContact OG1-CB 3.28Å; T109-E113 PolarHBondContact OG1-N 2.78Å; T109-E113 VanDerWaalsContact OG1-N 3.09Å; E113-L156 HydrophobicContact CB-CD2 4.03Å
114	I	98	Very high	94.7	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.149	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-128.3	129.2	-171.1	-59.9	164.7	0	0	0	109.3	F82 V97 C99 I108 L116 L142 L145	F82-I114 HydrophobicContact CD1-CD1 3.61Å; F82-I114 HydrophobicContact CE1-CD1 3.68Å; F82-I114 HydrophobicContact CE1-CG1 4.42Å; V97-I114 HydrophobicContact CB-CD1 4.04Å; V97-I114 HydrophobicContact CG1-CD1 3.51Å; C99-I114 HydrophobicContact CB-CD1 4.42Å; C99-I114 HydrophobicContact CB-CG1 4.47Å; I108-I114 HydrophobicContact CG1-CG1 4.35Å; I108-I114 HydrophobicContact CG2-CG1 4.26Å; I114-L116 HydrophobicContact CG2-CB 3.95Å; I114-L142 HydrophobicContact CD1-CD2 4.03Å; I114-L142 HydrophobicContact CG2-CD2 4.25Å; I114-L145 HydrophobicContact CG2-CD1 3.62Å
115	C	95.7	Very high	94.1	Very high	44 Å²	44	56.7 Å²	56.7	30%	0.297	29%	0.289	S	S	.	.			trans	-95.4	97.9	166.8	-176.3	0	0	0	0	109	N107 L156	N107-C115 HydrophobicContact CB-CB 4.37Å; N107-C115 PolarHBondContact O-N 2.97Å; C115-L156 HydrophobicContact CB-CB 3.84Å; C115-L156 HydrophobicContact CB-CD2 4.09Å; C115-L156 HydrophobicContact CB-CG 4.41Å
116	L	96.1	Very high	93.5	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.042	32%	0.32	C	S	.	.			trans	-132.9	117.4	173.1	-178.6	62.6	0	0	0	108.1	I114 L118 L119 L142 L145 L149	I114-L116 HydrophobicContact CG2-CB 3.95Å; L116-L118 HydrophobicContact CD1-CD2 4.09Å; L116-L118 HydrophobicContact CD2-CD2 3.7Å; L116-L118 HydrophobicContact CD2-CG 3.94Å; L116-L118 HydrophobicContact CG-CD2 3.81Å; L116-L118 HydrophobicContact CG-CG 3.88Å; L116-L118 PolarHBondContact O-N 3.2Å; L116-L118 VanDerWaalsContact O-N 3.15Å; L116-L119 HydrophobicContact CB-CD1 4.08Å; L116-L119 HydrophobicContact CB-CG 4.28Å; L116-L119 HydrophobicContact CD2-CD1 4.11Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CG 4.43Å; L116-L119 WeakPolarHBondContact O-CB 3.38Å; L116-L119 PolarHBondContact O-N 3.28Å; L116-L142 HydrophobicContact CD2-CD2 4.06Å; L116-L142 HydrophobicContact CD2-CG 4.24Å; L116-L145 HydrophobicContact CD1-CD2 4.05Å; L116-L145 HydrophobicContact CD1-CG 4.27Å; L116-L149 HydrophobicContact CD1-CD1 3.91Å
117	S	94	Very high	93.1	Very high	45 Å²	45	62.2 Å²	62.2	32%	0.315	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.9	-38.6	-168.7	55.1	0	0	0	0	113.3	L119 R120 G128	S117-L119 PolarHBondContact O-N 3.47Å; S117-R120 VanDerWaalsContact CB-NH2 3.33Å; S117-R120 VanDerWaalsContact O-CB 3.29Å; S117-R120 WeakPolarHBondContact O-CB 3.32Å; S117-R120 WeakPolarHBondContact O-CG 3.32Å; S117-R120 PolarHBondContact O-N 2.91Å; S117-R120 PolarHBondContact O-NE 2.93Å; S117-G128 WeakPolarHBondContact O-CA 3.35Å
118	L	95.6	Very high	92.9	Very high	15 Å²	15	62.1 Å²	62.1	8%	0.079	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-64.7	-18.7	-179.7	78.3	95.6	0	0	0	113.9	L116 R120 T127 W129 V138	L116-L118 HydrophobicContact CD1-CD2 4.09Å; L116-L118 HydrophobicContact CD2-CD2 3.7Å; L116-L118 HydrophobicContact CD2-CG 3.94Å; L116-L118 HydrophobicContact CG-CD2 3.81Å; L116-L118 HydrophobicContact CG-CG 3.88Å; L116-L118 PolarHBondContact O-N 3.2Å; L116-L118 VanDerWaalsContact O-N 3.15Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-T127 WeakPolarHBondContact CA-O 3.46Å; L118-W129 HydrophobicContact CD1-CE3 4.35Å; L118-W129 HydrophobicContact CD1-CZ3 4.34Å; L118-W129 VanDerWaalsContact O-CA 3.25Å; L118-W129 WeakPolarHBondContact O-CA 3.43Å; L118-W129 WeakPolarHBondContact O-CB 3.46Å; L118-W129 PolarHBondContact O-N 3.29Å; L118-V138 HydrophobicContact CD1-CB 4.37Å; L118-V138 HydrophobicContact CD1-CG2 3.74Å
119	L	96.1	Very high	92.8	Very high	31 Å²	31	63.1 Å²	63.1	16%	0.162	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-87	-1.8	176.7	-61.2	178.2	0	0	0	112.9	P94 V97 L116 S117 E121 V138	P94-L119 HydrophobicContact CB-CD2 4.38Å; P94-L119 VanDerWaalsContact CG-O 3.28Å; P94-L119 WeakPolarHBondContact CG-O 3.15Å; V97-L119 HydrophobicContact CB-CD1 3.93Å; V97-L119 HydrophobicContact CG2-CD1 3.68Å; V97-L119 HydrophobicContact CG2-CD2 4.06Å; L116-L119 HydrophobicContact CB-CD1 4.08Å; L116-L119 HydrophobicContact CB-CG 4.28Å; L116-L119 HydrophobicContact CD2-CD1 4.11Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CG 4.43Å; L116-L119 WeakPolarHBondContact O-CB 3.38Å; L116-L119 PolarHBondContact O-N 3.28Å; S117-L119 PolarHBondContact O-N 3.47Å; L119-E121 PolarHBondContact O-N 3.42Å; L119-V138 HydrophobicContact CD2-CG1 4.14Å; L119-V138 HydrophobicContact CD2-CG2 4.16Å
120	R	93.7	Very high	92.7	Very high	96 Å²	96	63.4 Å²	63.4	36%	0.362	34%	0.344	S	S	.	.			trans	-77.9	118.8	177.1	-61.3	-175.3	-70.5	-171.8	3.3	110	S117 L118 H122 S123 D125 T127 G128 W129	S117-R120 VanDerWaalsContact CB-NH2 3.33Å; S117-R120 VanDerWaalsContact O-CB 3.29Å; S117-R120 WeakPolarHBondContact O-CB 3.32Å; S117-R120 WeakPolarHBondContact O-CG 3.32Å; S117-R120 PolarHBondContact O-N 2.91Å; S117-R120 PolarHBondContact O-NE 2.93Å; L118-R120 VanDerWaalsContact C-N 3.33Å; R120-H122 VanDerWaalsContact C-N 3.34Å; R120-H122 PolarHBondContact O-N 2.91Å; R120-S123 PolarHBondContact NH2-OG 3.27Å; R120-D125 IonicContact CZ-OD2 2.86Å; R120-D125 IonicContact NH2-OD1 2.69Å; R120-D125 IonicContact NH2-OD2 3.66Å; R120-D125 PolarHBondContact NH2-OD2 3.37Å; R120-T127 PolarHBondContact NH2-OG1 2.77Å; R120-G128 CarbonylContact O-C 3.56Å; R120-G128 WeakPolarHBondContact O-CA 3.41Å; R120-W129 PolarHBondContact O-N 3.28Å
121	E	89.8	Confident	92.5	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	35%	0.351	S	S	.	.	S	Bend	trans	-63.4	-38.4	-179.6	-175.2	173.5	-171.5	0	0	112.8	L119	L119-E121 PolarHBondContact O-N 3.42Å
122	H	84.5	Confident	92.4	Very high	164 Å²	164	62.9 Å²	62.9	76%	0.759	35%	0.351	S	S	*	.	S	Bend	trans	-123.8	110.7	176.2	-58.5	-47.7	0	0	0	108.8	R120	R120-H122 VanDerWaalsContact C-N 3.34Å; R120-H122 PolarHBondContact O-N 2.91Å
123	S	81.8	Confident	92.3	Very high	34 Å²	34	65.6 Å²	65.6	24%	0.238	36%	0.36	C	S	.	.			trans	-124.1	128.2	174.7	-156.1	0	0	0	0	110.7	R120 D125 G128	R120-S123 PolarHBondContact NH2-OG 3.27Å; S123-D125 VanDerWaalsContact C-N 3.3Å; S123-D125 WeakPolarHBondContact CB-OD1 3.43Å; S123-D125 VanDerWaalsContact OG-CG 3.32Å; S123-D125 PolarHBondContact OG-OD1 3.47Å; S123-G128 VanDerWaalsContact CB-N 3.29Å
124	I	81.9	Confident	92.3	Very high	185 Å²	185	61.3 Å²	61.3	95%	0.949	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-28.3	-178.6	-56.8	171.8	0	0	0	110.6	G126	I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 3.12Å
125	D	85.8	Confident	92.3	Very high	94 Å²	94	59.9 Å²	59.9	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.1	-177.2	64	13.7	0	0	0	114.4	R120 S123 T127	R120-D125 IonicContact CZ-OD2 2.86Å; R120-D125 IonicContact NH2-OD1 2.69Å; R120-D125 IonicContact NH2-OD2 3.66Å; R120-D125 PolarHBondContact NH2-OD2 3.37Å; S123-D125 VanDerWaalsContact C-N 3.3Å; S123-D125 WeakPolarHBondContact CB-OD1 3.43Å; S123-D125 VanDerWaalsContact OG-CG 3.32Å; S123-D125 PolarHBondContact OG-OD1 3.47Å; D125-T127 HydrophobicContact CB-CG2 4.44Å; D125-T127 PolarHBondContact O-N 2.77Å; D125-T127 WeakPolarHBondContact OD1-CB 3.38Å; D125-T127 PolarHBondContact OD1-N 2.86Å; D125-T127 PolarHBondContact OD1-OG1 2.85Å; D125-T127 PolarHBondContact OD2-OG1 3.48Å; D125-T127 VanDerWaalsContact OD2-OG1 3.06Å
126	G	86.3	Confident	92.3	Very high	62 Å²	62	60.5 Å²	60.5	64%	0.639	33%	0.333	S	S	*	.	S	Bend	trans	73.3	0.8	-177.6	0	0	0	0	0	115.7	I124	I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 3.12Å
127	T	90	Very high	92.4	Very high	53 Å²	53	63.1 Å²	63.1	33%	0.325	35%	0.347	S	S	.	.			trans	-84.9	-12.3	178.6	69.8	0	0	0	0	113.5	L118 R120 D125 R133	L118-T127 WeakPolarHBondContact CA-O 3.46Å; R120-T127 PolarHBondContact NH2-OG1 2.77Å; D125-T127 HydrophobicContact CB-CG2 4.44Å; D125-T127 PolarHBondContact O-N 2.77Å; D125-T127 WeakPolarHBondContact OD1-CB 3.38Å; D125-T127 PolarHBondContact OD1-N 2.86Å; D125-T127 PolarHBondContact OD1-OG1 2.85Å; D125-T127 PolarHBondContact OD2-OG1 3.48Å; D125-T127 VanDerWaalsContact OD2-OG1 3.06Å; T127-R133 PolarHBondContact O-NH2 2.93Å
128	G	93.6	Very high	92.6	Very high	4 Å²	4	61 Å²	61	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-65.6	177.8	177.4	0	0	0	0	0	114.5	S117 R120 S123 R133	S117-G128 WeakPolarHBondContact O-CA 3.35Å; R120-G128 CarbonylContact O-C 3.56Å; R120-G128 WeakPolarHBondContact O-CA 3.41Å; S123-G128 VanDerWaalsContact CB-N 3.29Å; G128-R133 PolarHBondContact O-NH1 3.39Å; G128-R133 PolarHBondContact O-NH2 3.19Å
129	W	97.3	Very high	92.7	Very high	20 Å²	20	60.3 Å²	60.3	8%	0.076	33%	0.329	C	S	.	.			trans	-55.1	142.1	179.8	-175.1	-105.5	0	0	0	111.8	Y90 N91 P94 L118 R120 R133 V138	Y90-W129 HydrophobicContact CD2-CZ2 4.12Å; Y90-W129 AromaticContact CE2-CH2 3.76Å; Y90-W129 HydrophobicContact CE2-CH2 3.76Å; Y90-W129 AromaticContact CE2-CZ2 3.49Å; Y90-W129 HydrophobicContact CE2-CZ2 3.49Å; Y90-W129 VanDerWaalsContact CE2-CZ2 3.49Å; N91-W129 PolarHBondContact O-NE1 2.72Å; P94-W129 HydrophobicContact CB-CB 3.91Å; P94-W129 HydrophobicContact CB-CD2 3.52Å; P94-W129 HydrophobicContact CB-CE3 3.7Å; P94-W129 HydrophobicContact CB-CG 3.6Å; P94-W129 HydrophobicContact CB-CZ3 4.46Å; P94-W129 HydrophobicContact CG-CB 3.94Å; P94-W129 HydrophobicContact CG-CD2 4.4Å; P94-W129 HydrophobicContact CG-CG 3.96Å; L118-W129 HydrophobicContact CD1-CE3 4.35Å; L118-W129 HydrophobicContact CD1-CZ3 4.34Å; L118-W129 VanDerWaalsContact O-CA 3.25Å; L118-W129 WeakPolarHBondContact O-CA 3.43Å; L118-W129 WeakPolarHBondContact O-CB 3.46Å; L118-W129 PolarHBondContact O-N 3.29Å; R120-W129 PolarHBondContact O-N 3.28Å; W129-R133 HydrophobicContact CE3-CB 4.04Å; W129-R133 HydrophobicContact CH2-CB 3.91Å; W129-R133 WeakPolarHBondContact CH2-O 3.28Å; W129-R133 HydrophobicContact CZ2-CB 4.49Å; W129-R133 HydrophobicContact CZ3-CB 3.66Å; W129-V138 HydrophobicContact CZ3-CG2 3.95Å
130	A	95.4	Very high	92.8	Very high	26 Å²	26	64.2 Å²	64.2	22%	0.215	34%	0.341	C	S	.	.			trans	-142.5	148	171.8	0	0	0	0	0	108.3	T132 R133	A130-T132 PolarHBondContact O-N 2.69Å; A130-R133 WeakPolarHBondContact O-CB 3.48Å; A130-R133 PolarHBondContact O-N 2.95Å
131	P	94.6	Very high	93	Very high	60 Å²	60	59.9 Å²	59.9	39%	0.39	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-11	177.7	-25.8	35.3	0	0	0	114.9	N91 M92 R133	N91-P131 PolarHBondContact ND2-O 2.94Å; N91-P131 WeakPolarHBondContact O-CA 3.36Å; M92-P131 HydrophobicContact CE-CB 4.34Å; M92-P131 HydrophobicContact CE-CG 4.25Å; M92-P131 HydrophobicContact SD-CB 4.42Å; M92-P131 HydrophobicContact SD-CG 3.74Å; P131-R133 VanDerWaalsContact C-N 3.34Å
132	T	94.3	Very high	93.4	Very high	123 Å²	123	54.9 Å²	54.9	76%	0.755	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.7	172.5	51.6	0	0	0	0	113.7	A130	A130-T132 PolarHBondContact O-N 2.69Å
133	R	96.3	Very high	94.1	Very high	57 Å²	57	48 Å²	48	22%	0.215	27%	0.273	C	S	.	.			trans	-85.8	151.8	174.3	-67.5	-171.2	-179.2	81.5	-13.3	111	T127 G128 W129 A130 P131 D137	T127-R133 PolarHBondContact O-NH2 2.93Å; G128-R133 PolarHBondContact O-NH1 3.39Å; G128-R133 PolarHBondContact O-NH2 3.19Å; W129-R133 HydrophobicContact CE3-CB 4.04Å; W129-R133 HydrophobicContact CH2-CB 3.91Å; W129-R133 WeakPolarHBondContact CH2-O 3.28Å; W129-R133 HydrophobicContact CZ2-CB 4.49Å; W129-R133 HydrophobicContact CZ3-CB 3.66Å; A130-R133 WeakPolarHBondContact O-CB 3.48Å; A130-R133 PolarHBondContact O-N 2.95Å; P131-R133 VanDerWaalsContact C-N 3.34Å; R133-D137 VanDerWaalsContact CA-OD2 3.31Å; R133-D137 WeakPolarHBondContact CA-OD2 3.43Å; R133-D137 HydrophobicContact CB-CB 4.38Å
134	T	97.2	Very high	94.9	Very high	32 Å²	32	47.5 Å²	47.5	20%	0.196	27%	0.269	C	S	.	.			trans	-127.3	173.6	-173.2	62.7	0	0	0	0	111	E39 K136 D137 V138	E39-T134 VanDerWaalsContact OE2-CA 3.28Å; E39-T134 WeakPolarHBondContact OE2-CA 3.44Å; E39-T134 VanDerWaalsContact OE2-CB 3.25Å; E39-T134 WeakPolarHBondContact OE2-CB 3.24Å; T134-K136 PolarHBondContact O-N 3.28Å; T134-K136 PolarHBondContact OG1-N 2.96Å; T134-D137 PolarHBondContact N-OD2 3.3Å; T134-D137 PolarHBondContact O-N 3.47Å; T134-D137 VanDerWaalsContact O-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.46Å; T134-V138 PolarHBondContact O-N 2.95Å
135	L	97.8	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-31.4	172.8	-64.9	-173.5	0	0	0	113.1	L36 E39 V40 L43 F64 V86 P95 V138 V139	L36-L135 HydrophobicContact CD2-CD1 3.6Å; L36-L135 HydrophobicContact CD2-CG 4.34Å; E39-L135 HydrophobicContact CB-CD1 4.49Å; E39-L135 PolarHBondContact OE2-N 3.41Å; V40-L135 HydrophobicContact CG2-CD1 4.21Å; L43-L135 HydrophobicContact CD2-CB 4.44Å; F64-L135 HydrophobicContact CE1-CD1 3.94Å; F64-L135 HydrophobicContact CE1-CD2 4.28Å; F64-L135 HydrophobicContact CZ-CD1 4.24Å; F64-L135 HydrophobicContact CZ-CD2 4.46Å; V86-L135 HydrophobicContact CG2-CD2 3.83Å; P95-L135 HydrophobicContact CG-CD2 3.74Å; L135-V138 PolarHBondContact O-N 3.37Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.92Å; L135-V139 VanDerWaalsContact O-N 3.07Å
136	K	97.1	Very high	96.2	Very high	57 Å²	57	34.4 Å²	34.4	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-48.9	174.8	178.2	-178.2	172.2	-179.2	0	110.6	L43 N46 T134 V138 V139 W140	L43-K136 HydrophobicContact CD1-CB 4.47Å; N46-K136 HydrophobicContact CB-CD 4.13Å; T134-K136 PolarHBondContact O-N 3.28Å; T134-K136 PolarHBondContact OG1-N 2.96Å; K136-V138 VanDerWaalsContact C-N 3.26Å; K136-V138 PolarHBondContact O-N 3.34Å; K136-V139 PolarHBondContact O-N 3.09Å; K136-V139 VanDerWaalsContact O-N 3.12Å; K136-W140 VanDerWaalsContact O-CD1 3.23Å; K136-W140 PolarHBondContact O-N 2.85Å
137	D	97.2	Very high	96.7	Very high	63 Å²	63	33.1 Å²	33.1	34%	0.337	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-36.7	-178.8	-55.1	-55.1	0	0	0	111.9	R133 T134 G141	R133-D137 VanDerWaalsContact CA-OD2 3.31Å; R133-D137 WeakPolarHBondContact CA-OD2 3.43Å; R133-D137 HydrophobicContact CB-CB 4.38Å; T134-D137 PolarHBondContact N-OD2 3.3Å; T134-D137 PolarHBondContact O-N 3.47Å; T134-D137 VanDerWaalsContact O-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.46Å; D137-G141 PolarHBondContact O-N 3.16Å
138	V	98.1	Very high	96.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-49.6	174.1	178.9	0	0	0	0	110.8	P95 V97 L118 L119 W129 T134 L135 K136 W140 G141 L142	P95-V138 HydrophobicContact CG-CG2 4.19Å; V97-V138 HydrophobicContact CG2-CG1 3.98Å; L118-V138 HydrophobicContact CD1-CB 4.37Å; L118-V138 HydrophobicContact CD1-CG2 3.74Å; L119-V138 HydrophobicContact CD2-CG1 4.14Å; L119-V138 HydrophobicContact CD2-CG2 4.16Å; W129-V138 HydrophobicContact CZ3-CG2 3.95Å; T134-V138 PolarHBondContact O-N 2.95Å; L135-V138 PolarHBondContact O-N 3.37Å; K136-V138 VanDerWaalsContact C-N 3.26Å; K136-V138 PolarHBondContact O-N 3.34Å; V138-W140 PolarHBondContact O-N 3.01Å; V138-G141 PolarHBondContact O-N 3.29Å; V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 HydrophobicContact CG1-CG 4.41Å; V138-L142 VanDerWaalsContact O-CG 3.32Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.17Å
139	V	98.3	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-41.8	-179.2	170.9	0	0	0	0	112	L43 L47 C51 L66 L135 K136 L142 N143	L43-V139 HydrophobicContact CD1-CB 3.94Å; L43-V139 HydrophobicContact CD1-CG1 4.4Å; L43-V139 HydrophobicContact CD1-CG2 3.64Å; L43-V139 HydrophobicContact CD2-CG2 4.26Å; L47-V139 HydrophobicContact CD2-CG1 3.69Å; C51-V139 HydrophobicContact CB-CG1 4.26Å; L66-V139 HydrophobicContact CD1-CG1 3.77Å; L66-V139 HydrophobicContact CD1-CG2 4.07Å; L66-V139 HydrophobicContact CD2-CB 4.32Å; L66-V139 HydrophobicContact CD2-CG1 3.97Å; L66-V139 HydrophobicContact CD2-CG2 4.01Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.92Å; L135-V139 VanDerWaalsContact O-N 3.07Å; K136-V139 PolarHBondContact O-N 3.09Å; K136-V139 VanDerWaalsContact O-N 3.12Å; V139-L142 PolarHBondContact O-N 3.23Å; V139-N143 PolarHBondContact O-N 3.45Å
140	W	97.8	Very high	97	Very high	112 Å²	112	41.7 Å²	41.7	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-63.6	-43.5	175.1	-82.1	88	0	0	0	111.5	N46 P48 K136 V138 L142 N143 S144	N46-W140 PolarHBondContact O-NE1 3.48Å; P48-W140 HydrophobicContact CB-CH2 4.46Å; P48-W140 HydrophobicContact CG-CD2 3.85Å; P48-W140 HydrophobicContact CG-CE3 4.06Å; P48-W140 HydrophobicContact CG-CG 4.4Å; P48-W140 HydrophobicContact CG-CH2 4.08Å; P48-W140 HydrophobicContact CG-CZ2 3.85Å; P48-W140 HydrophobicContact CG-CZ3 4.17Å; K136-W140 VanDerWaalsContact O-CD1 3.23Å; K136-W140 PolarHBondContact O-N 2.85Å; V138-W140 PolarHBondContact O-N 3.01Å; W140-L142 PolarHBondContact O-N 3Å; W140-N143 PolarHBondContact O-N 2.97Å; W140-S144 PolarHBondContact O-N 3.47Å; W140-S144 PolarHBondContact O-OG 3.18Å
141	G	98.1	Very high	97	Very high	6 Å²	6	43.3 Å²	43.3	6%	0.062	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-43.3	175.5	0	0	0	0	0	113.2	D137 V138 S144 L145	D137-G141 PolarHBondContact O-N 3.16Å; V138-G141 PolarHBondContact O-N 3.29Å; G141-S144 PolarHBondContact O-N 3.23Å; G141-L145 PolarHBondContact O-N 3.33Å; G141-L145 VanDerWaalsContact O-N 3.16Å
142	L	98.5	Very high	97.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-40.2	176	-69	171	0	0	0	112.3	L66 F82 I84 V97 I114 L116 V138 V139 W140 L145 F146	L66-L142 HydrophobicContact CD2-CB 4.26Å; L66-L142 HydrophobicContact CD2-CD1 3.77Å; F82-L142 HydrophobicContact CD1-CD2 4.17Å; F82-L142 HydrophobicContact CE1-CD2 4.09Å; F82-L142 HydrophobicContact CG-CD1 4.46Å; I84-L142 HydrophobicContact CD1-CD1 4.15Å; V97-L142 HydrophobicContact CG1-CD1 3.81Å; V97-L142 HydrophobicContact CG1-CD2 3.99Å; I114-L142 HydrophobicContact CD1-CD2 4.03Å; I114-L142 HydrophobicContact CG2-CD2 4.25Å; L116-L142 HydrophobicContact CD2-CD2 4.06Å; L116-L142 HydrophobicContact CD2-CG 4.24Å; V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 HydrophobicContact CG1-CG 4.41Å; V138-L142 VanDerWaalsContact O-CG 3.32Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.17Å; V139-L142 PolarHBondContact O-N 3.23Å; W140-L142 PolarHBondContact O-N 3Å; L142-L145 HydrophobicContact CD2-CD1 4.18Å; L142-L145 PolarHBondContact O-N 3.01Å; L142-F146 WeakPolarHBondContact O-CD2 3.49Å; L142-F146 WeakPolarHBondContact O-CE2 3.29Å
143	N	98.4	Very high	97	Very high	20 Å²	20	44 Å²	44	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-43.6	174.5	-175.4	65.9	0	0	0	111.3	P48 T50 V68 V139 W140 L145 F146	P48-N143 HydrophobicContact CG-CB 4.43Å; T50-N143 PolarHBondContact OG1-OD1 3.02Å; V68-N143 WeakPolarHBondContact CG1-OD1 3.21Å; V139-N143 PolarHBondContact O-N 3.45Å; W140-N143 PolarHBondContact O-N 2.97Å; N143-L145 PolarHBondContact O-N 3.18Å; N143-F146 PolarHBondContact O-N 3.16Å
144	S	98	Very high	96.8	Very high	22 Å²	22	46.7 Å²	46.7	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-17.2	-179.5	-65.5	0	0	0	0	114.1	W140 G141 F146 T147 D148 L149	W140-S144 PolarHBondContact O-N 3.47Å; W140-S144 PolarHBondContact O-OG 3.18Å; G141-S144 PolarHBondContact O-N 3.23Å; S144-F146 PolarHBondContact O-N 3.2Å; S144-F146 VanDerWaalsContact O-N 3.17Å; S144-T147 CarbonylContact O-C 3.31Å; S144-T147 VanDerWaalsContact O-C 3.31Å; S144-T147 PolarHBondContact O-N 2.67Å; S144-D148 PolarHBondContact O-N 3.46Å; S144-L149 WeakPolarHBondContact O-CA 3.38Å; S144-L149 WeakPolarHBondContact O-CB 3.43Å; S144-L149 PolarHBondContact O-N 3.3Å
145	L	98.1	Very high	96.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.3	172.4	-73	176.9	0	0	0	112.6	H105 N107 I108 I114 L116 G141 L142 N143 L149 L150	H105-L145 PolarHBondContact CE1-O 2.98Å; H105-L145 PolarHBondContact NE2-O 2.82Å; N107-L145 HydrophobicContact CB-CD2 4.15Å; I108-L145 HydrophobicContact CD1-CD1 4.22Å; I108-L145 HydrophobicContact CG1-CD1 4.25Å; I114-L145 HydrophobicContact CG2-CD1 3.62Å; L116-L145 HydrophobicContact CD1-CD2 4.05Å; L116-L145 HydrophobicContact CD1-CG 4.27Å; G141-L145 PolarHBondContact O-N 3.33Å; G141-L145 VanDerWaalsContact O-N 3.16Å; L142-L145 HydrophobicContact CD2-CD1 4.18Å; L142-L145 PolarHBondContact O-N 3.01Å; N143-L145 PolarHBondContact O-N 3.18Å; L145-L149 HydrophobicContact CD2-CB 4.2Å; L145-L150 WeakPolarHBondContact O-CA 3.25Å; L145-L150 WeakPolarHBondContact O-CB 3.25Å
146	F	98.3	Very high	96.6	Very high	2 Å²	2	50 Å²	50	1%	0.009	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.2	177.3	-58.8	-82.8	0	0	0	113.4	V68 P70 Y75 F80 F82 I103 I108 L142 N143 S144	V68-F146 HydrophobicContact CB-CE2 4.01Å; V68-F146 HydrophobicContact CG1-CD2 3.76Å; V68-F146 HydrophobicContact CG1-CE2 3.73Å; V68-F146 HydrophobicContact CG2-CE2 4.45Å; P70-F146 HydrophobicContact CB-CB 4.09Å; P70-F146 HydrophobicContact CG-CB 3.61Å; P70-F146 HydrophobicContact CG-CD1 3.79Å; P70-F146 HydrophobicContact CG-CD2 4.04Å; P70-F146 HydrophobicContact CG-CE1 4.44Å; P70-F146 HydrophobicContact CG-CG 3.53Å; Y75-F146 HydrophobicContact CD1-CD1 4.4Å; Y75-F146 HydrophobicContact CD2-CB 4.37Å; Y75-F146 AromaticContact CD2-CD1 3.77Å; Y75-F146 HydrophobicContact CD2-CD1 3.77Å; Y75-F146 AromaticContact CG-CD1 3.71Å; Y75-F146 HydrophobicContact CG-CD1 3.71Å; Y75-F146 HydrophobicContact CG-CE1 4.34Å; F80-F146 HydrophobicContact CB-CE1 4.36Å; F80-F146 HydrophobicContact CB-CZ 3.79Å; F80-F146 HydrophobicContact CD1-CE1 4.3Å; F80-F146 HydrophobicContact CD2-CD1 4.15Å; F80-F146 AromaticContact CD2-CE1 3.36Å; F80-F146 HydrophobicContact CD2-CE1 3.36Å; F80-F146 HydrophobicContact CD2-CE2 4.43Å; F80-F146 AromaticContact CD2-CZ 3.54Å; F80-F146 HydrophobicContact CD2-CZ 3.54Å; F80-F146 HydrophobicContact CE1-CE1 4.5Å; F80-F146 HydrophobicContact CE2-CD1 4.11Å; F80-F146 AromaticContact CE2-CE1 3.62Å; F80-F146 HydrophobicContact CE2-CE1 3.62Å; F80-F146 HydrophobicContact CE2-CZ 4.27Å; F80-F146 AromaticContact CG-CE1 3.73Å; F80-F146 HydrophobicContact CG-CE1 3.73Å; F80-F146 AromaticContact CG-CZ 3.67Å; F80-F146 HydrophobicContact CG-CZ 3.67Å; F80-F146 HydrophobicContact CZ-CE1 4.18Å; F82-F146 HydrophobicContact CE2-CE2 4.01Å; F82-F146 HydrophobicContact CE2-CZ 4.06Å; F82-F146 AromaticContact CZ-CE2 3.86Å; F82-F146 HydrophobicContact CZ-CE2 3.86Å; F82-F146 AromaticContact CZ-CZ 3.77Å; F82-F146 HydrophobicContact CZ-CZ 3.77Å; I103-F146 HydrophobicContact CD1-CE1 3.67Å; I103-F146 HydrophobicContact CD1-CZ 4.43Å; I108-F146 HydrophobicContact CD1-CZ 4.21Å; L142-F146 WeakPolarHBondContact O-CD2 3.49Å; L142-F146 WeakPolarHBondContact O-CE2 3.29Å; N143-F146 PolarHBondContact O-N 3.16Å; S144-F146 PolarHBondContact O-N 3.2Å; S144-F146 VanDerWaalsContact O-N 3.17Å
147	T	96.1	Very high	96.7	Very high	34 Å²	34	48.1 Å²	48.1	21%	0.209	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-104.1	-176.5	59.9	0	0	0	0	111	E72 S144 L149 L150	E72-T147 HydrophobicContact CG-CG2 3.77Å; E72-T147 WeakPolarHBondContact OE1-CG2 3.42Å; S144-T147 CarbonylContact O-C 3.31Å; S144-T147 VanDerWaalsContact O-C 3.31Å; S144-T147 PolarHBondContact O-N 2.67Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 2.68Å; T147-L150 VanDerWaalsContact O-CB 3.24Å; T147-L150 WeakPolarHBondContact O-CB 3.43Å; T147-L150 PolarHBondContact O-N 3.17Å
148	D	95.2	Very high	96.7	Very high	144 Å²	144	49.9 Å²	49.9	77%	0.77	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.6	-169.1	-61.5	-40.6	0	0	0	114.1	S144	S144-D148 PolarHBondContact O-N 3.46Å
149	L	96.3	Very high	96.7	Very high	79 Å²	79	54.9 Å²	54.9	41%	0.414	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.1	179.1	-60.5	-178.6	0	0	0	112.8	L116 S144 L145 T147 N151	L116-L149 HydrophobicContact CD1-CD1 3.91Å; S144-L149 WeakPolarHBondContact O-CA 3.38Å; S144-L149 WeakPolarHBondContact O-CB 3.43Å; S144-L149 PolarHBondContact O-N 3.3Å; L145-L149 HydrophobicContact CD2-CB 4.2Å; T147-L149 VanDerWaalsContact C-N 3.33Å; T147-L149 PolarHBondContact O-N 2.68Å; L149-N151 PolarHBondContact O-N 2.89Å
150	L	96.9	Very high	96.7	Very high	34 Å²	34	54.9 Å²	54.9	18%	0.178	29%	0.287	C	S	.	.			trans	-66	104.6	171.1	179.5	62.6	0	0	0	109.3	Y74 Y75 H105 P106 L145 T147 F152	Y74-L150 HydrophobicContact CD2-CD2 3.79Å; Y74-L150 HydrophobicContact CE2-CD2 4.19Å; Y75-L150 HydrophobicContact CE2-CD1 3.95Å; Y75-L150 HydrophobicContact CE2-CD2 4.1Å; H105-L150 WeakPolarHBondContact NE2-CD1 3.39Å; P106-L150 HydrophobicContact CG-CD1 3.49Å; P106-L150 VanDerWaalsContact CG-CD1 3.49Å; L145-L150 WeakPolarHBondContact O-CA 3.25Å; L145-L150 WeakPolarHBondContact O-CB 3.25Å; T147-L150 VanDerWaalsContact O-CB 3.24Å; T147-L150 WeakPolarHBondContact O-CB 3.43Å; T147-L150 PolarHBondContact O-N 3.17Å; L150-F152 HydrophobicContact CD1-CE2 4.29Å; L150-F152 HydrophobicContact CD1-CZ 4.26Å; L150-F152 HydrophobicContact CD2-CE2 3.9Å; L150-F152 HydrophobicContact CD2-CZ 4.16Å; L150-F152 HydrophobicContact CG-CE2 3.77Å; L150-F152 HydrophobicContact CG-CZ 4.18Å
151	N	94	Very high	96.8	Very high	60 Å²	60	50 Å²	50	32%	0.321	27%	0.271	S	S	.	.			trans	-121.4	128.5	-172.5	-174.9	17.1	0	0	0	112.2	P106 N107 L149 D153	P106-N151 WeakPolarHBondContact CB-O 3.39Å; N107-N151 PolarHBondContact ND2-O 3.15Å; N107-N151 PolarHBondContact OD1-N 3.49Å; N107-N151 PolarHBondContact OD1-O 3.16Å; L149-N151 PolarHBondContact O-N 2.89Å; N151-D153 WeakPolarHBondContact OD1-CB 3.5Å; N151-D153 PolarHBondContact OD1-N 3.29Å
152	F	96.6	Very high	96.8	Very high	45 Å²	45	55.3 Å²	55.3	20%	0.197	29%	0.294	C	S	.	.	S	Bend	trans	-103.3	-10.6	177.9	-64.8	-85.6	0	0	0	113.6	P106 L150 A161 H164 F171	P106-F152 HydrophobicContact CB-CD1 3.85Å; P106-F152 HydrophobicContact CB-CE1 4.05Å; P106-F152 HydrophobicContact CG-CD1 3.83Å; P106-F152 HydrophobicContact CG-CE1 3.65Å; P106-F152 HydrophobicContact CG-CG 4.37Å; P106-F152 HydrophobicContact CG-CZ 4.03Å; L150-F152 HydrophobicContact CD1-CE2 4.29Å; L150-F152 HydrophobicContact CD1-CZ 4.26Å; L150-F152 HydrophobicContact CD2-CE2 3.9Å; L150-F152 HydrophobicContact CD2-CZ 4.16Å; L150-F152 HydrophobicContact CG-CE2 3.77Å; L150-F152 HydrophobicContact CG-CZ 4.18Å; F152-A161 HydrophobicContact CD1-CB 4.18Å; F152-H164 HydrophobicContact CD1-CB 3.78Å; F152-H164 AromaticContact CD1-CG 3.84Å; F152-H164 AromaticContact CD1-ND1 3.95Å; F152-H164 HydrophobicContact CE1-CB 3.49Å; F152-H164 VanDerWaalsContact CE1-CB 3.49Å; F152-H164 AromaticContact CE1-CD2 3.78Å; F152-H164 AromaticContact CE1-CG 3.49Å; F152-H164 VanDerWaalsContact CE1-CG 3.49Å; F152-H164 AromaticContact CE1-ND1 3.98Å; F152-H164 HydrophobicContact CZ-CB 4.24Å; F152-H164 AromaticContact CZ-CD2 3.61Å; F152-H164 AromaticContact CZ-CG 3.76Å; F152-H164 AromaticContact CZ-NE2 3.86Å; F152-F171 HydrophobicContact CE1-CE2 4.22Å; F152-F171 AromaticContact CE1-CZ 3.99Å; F152-F171 HydrophobicContact CE1-CZ 3.99Å; F152-F171 HydrophobicContact CZ-CE1 4.28Å; F152-F171 HydrophobicContact CZ-CZ 4.08Å
153	D	92.8	Very high	96.8	Very high	154 Å²	154	55.8 Å²	55.8	82%	0.824	30%	0.296	S	S	*	.	S	Bend	trans	-81.3	-34.8	-174.5	-64.1	-31	0	0	0	113.1	N151 P155	N151-D153 WeakPolarHBondContact OD1-CB 3.5Å; N151-D153 PolarHBondContact OD1-N 3.29Å; D153-P155 VanDerWaalsContact C-CD 3.48Å
154	D	91.4	Very high	96.8	Very high	112 Å²	112	55.9 Å²	55.9	60%	0.599	30%	0.296	S	S	*	.	S	Bend	trans	-127.9	68.9	174.6	-170.8	24.5	0	0	0	110
155	P	95.8	Very high	96.8	Very high	31 Å²	31	62 Å²	62	20%	0.201	33%	0.326	C	S	.	.			trans	-82.3	146	-171.9	35.1	-36.1	0	0	0	111.5	P106 D153 A161	P106-P155 HydrophobicContact CB-CB 4Å; P106-P155 CarbonylContact O-C 3.58Å; D153-P155 VanDerWaalsContact C-CD 3.48Å; P155-A161 HydrophobicContact CB-CB 3.68Å; P155-A161 HydrophobicContact CG-CB 3.56Å
156	L	96.7	Very high	96.8	Very high	72 Å²	72	70.9 Å²	70.9	38%	0.377	36%	0.36	S	S	.	.	S	Bend	trans	-77.2	-35.5	167.3	-171.3	63.9	0	0	0	111.2	P106 T109 E113 C115	P106-L156 PolarHBondContact O-N 3.46Å; T109-L156 HydrophobicContact CG2-CB 4.46Å; T109-L156 HydrophobicContact CG2-CD2 3.59Å; T109-L156 HydrophobicContact CG2-CG 3.61Å; E113-L156 HydrophobicContact CB-CD2 4.03Å; C115-L156 HydrophobicContact CB-CB 3.84Å; C115-L156 HydrophobicContact CB-CD2 4.09Å; C115-L156 HydrophobicContact CB-CG 4.41Å
157	N	97.9	Very high	96.8	Very high	16 Å²	16	74.2 Å²	74.2	9%	0.086	38%	0.377	C	S	.	.			trans	-104.5	92.9	175.8	-177	-12.9	0	0	0	109	H105 P106 D159 A160 A161	H105-N157 WeakPolarHBondContact O-CB 3.14Å; H105-N157 PolarHBondContact O-ND2 3.34Å; P106-N157 PolarHBondContact O-N 2.89Å; N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 2.94Å; N157-D159 PolarHBondContact OD1-N 3.46Å; N157-A160 HydrophobicContact CB-CB 4.12Å; N157-A160 PolarHBondContact O-N 3.39Å; N157-A160 PolarHBondContact OD1-N 3.19Å; N157-A160 VanDerWaalsContact OD1-N 3.1Å; N157-A161 PolarHBondContact O-N 3.16Å
158	I	98.1	Very high	96.9	Very high	101 Å²	101	78.4 Å²	78.4	52%	0.518	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-41.2	-178.2	-58.4	174.7	0	0	0	110.5	A160 A161 E162	I158-A160 VanDerWaalsContact C-N 3.31Å; I158-A160 PolarHBondContact O-N 3.14Å; I158-A161 PolarHBondContact O-N 2.94Å; I158-A161 VanDerWaalsContact O-N 3.08Å; I158-E162 HydrophobicContact CG2-CG 4.02Å; I158-E162 PolarHBondContact O-N 3.19Å
159	D	98.3	Very high	97	Very high	105 Å²	105	77.8 Å²	77.8	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-39.4	-179	-60.8	-28.6	0	0	0	112.1	W104 N157 A161 H163	W104-D159 HydrophobicContact CH2-CB 3.63Å; W104-D159 HydrophobicContact CZ2-CB 4.24Å; N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 2.94Å; N157-D159 PolarHBondContact OD1-N 3.46Å; D159-A161 VanDerWaalsContact C-N 3.33Å; D159-H163 WeakPolarHBondContact O-CB 3.36Å; D159-H163 PolarHBondContact O-N 3.28Å
160	A	98.4	Very high	97.1	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.6	-37.9	176.3	0	0	0	0	0	111.9	W104 N157 I158 H164 F171	W104-A160 HydrophobicContact CD2-CB 4.2Å; W104-A160 VanDerWaalsContact CZ2-CA 3.48Å; W104-A160 HydrophobicContact CZ2-CB 4.08Å; N157-A160 HydrophobicContact CB-CB 4.12Å; N157-A160 PolarHBondContact O-N 3.39Å; N157-A160 PolarHBondContact OD1-N 3.19Å; N157-A160 VanDerWaalsContact OD1-N 3.1Å; I158-A160 VanDerWaalsContact C-N 3.31Å; I158-A160 PolarHBondContact O-N 3.14Å; A160-H164 PolarHBondContact O-N 2.96Å; A160-H164 VanDerWaalsContact O-N 3.12Å; A160-F171 HydrophobicContact CB-CE2 4.43Å; A160-F171 WeakPolarHBondContact O-CE2 3.29Å
161	A	98.4	Very high	97.2	Very high	11 Å²	11	76 Å²	76	9%	0.091	38%	0.376	C	S	.	.	H	α-helix	trans	-73.6	-44.8	178.5	0	0	0	0	0	113.1	P106 F152 P155 N157 I158 D159 H163 H164 L165	P106-A161 HydrophobicContact CB-CB 4.42Å; F152-A161 HydrophobicContact CD1-CB 4.18Å; P155-A161 HydrophobicContact CB-CB 3.68Å; P155-A161 HydrophobicContact CG-CB 3.56Å; N157-A161 PolarHBondContact O-N 3.16Å; I158-A161 PolarHBondContact O-N 2.94Å; I158-A161 VanDerWaalsContact O-N 3.08Å; D159-A161 VanDerWaalsContact C-N 3.33Å; A161-H163 VanDerWaalsContact C-N 3.26Å; A161-H163 PolarHBondContact O-N 2.86Å; A161-H164 PolarHBondContact O-N 2.91Å; A161-L165 WeakPolarHBondContact O-CB 3.42Å; A161-L165 PolarHBondContact O-N 3.47Å
162	E	98.3	Very high	97.4	Very high	116 Å²	116	78.9 Å²	78.9	54%	0.542	38%	0.382	S	S	.	.	H	α-helix	trans	-61.8	-37.5	174.3	-71.9	-172.6	171.4	0	0	111.6	I158 L165 R166	I158-E162 HydrophobicContact CG2-CG 4.02Å; I158-E162 PolarHBondContact O-N 3.19Å; E162-L165 PolarHBondContact O-N 3.28Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 PolarHBondContact O-N 3.15Å
163	H	98.5	Very high	97.5	Very high	11 Å²	11	81 Å²	81	5%	0.051	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-48.5	174	-174.4	-172.7	0	0	0	111.1	W104 D159 A161 L165 R166 D167 D170 F171	W104-H163 AromaticContact CE2-ND1 3.74Å; W104-H163 HydrophobicContact CZ2-CB 4.07Å; W104-H163 AromaticContact CZ2-ND1 3.81Å; W104-H163 AromaticContact NE1-ND1 3.28Å; W104-H163 PolarHBondContact NE1-ND1 3.14Å; D159-H163 WeakPolarHBondContact O-CB 3.36Å; D159-H163 PolarHBondContact O-N 3.28Å; A161-H163 VanDerWaalsContact C-N 3.26Å; A161-H163 PolarHBondContact O-N 2.86Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 2.94Å; H163-R166 PolarHBondContact O-N 3.06Å; H163-D167 PolarHBondContact O-N 3.45Å; H163-D170 IonicContact CE1-OD2 3.87Å; H163-D170 IonicContact NE2-OD2 3.69Å; H163-D170 PolarHBondContact NE2-OD2 2.64Å; H163-F171 HydrophobicContact CB-CD2 4.42Å; H163-F171 PolarHBondContact NE2-N 3.26Å
164	H	98.5	Very high	97.8	Very high	21 Å²	21	76.7 Å²	76.7	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-41	176.2	-178.8	-93.3	0	0	0	112.9	Y74 F152 A160 A161 R166 K168 F171	Y74-H164 AromaticContact CZ-NE2 3.74Å; Y74-H164 PolarHBondContact OH-NE2 2.89Å; Y74-H164 VanDerWaalsContact OH-NE2 3.14Å; F152-H164 HydrophobicContact CD1-CB 3.78Å; F152-H164 AromaticContact CD1-CG 3.84Å; F152-H164 AromaticContact CD1-ND1 3.95Å; F152-H164 HydrophobicContact CE1-CB 3.49Å; F152-H164 VanDerWaalsContact CE1-CB 3.49Å; F152-H164 AromaticContact CE1-CD2 3.78Å; F152-H164 AromaticContact CE1-CG 3.49Å; F152-H164 VanDerWaalsContact CE1-CG 3.49Å; F152-H164 AromaticContact CE1-ND1 3.98Å; F152-H164 HydrophobicContact CZ-CB 4.24Å; F152-H164 AromaticContact CZ-CD2 3.61Å; F152-H164 AromaticContact CZ-CG 3.76Å; F152-H164 AromaticContact CZ-NE2 3.86Å; A160-H164 PolarHBondContact O-N 2.96Å; A160-H164 VanDerWaalsContact O-N 3.12Å; A161-H164 PolarHBondContact O-N 2.91Å; H164-R166 VanDerWaalsContact C-N 3.35Å; H164-K168 VanDerWaalsContact O-CG 3.25Å; H164-K168 WeakPolarHBondContact O-CG 3.3Å; H164-F171 HydrophobicContact CB-CB 4.43Å; H164-F171 HydrophobicContact CB-CD1 4.47Å; H164-F171 HydrophobicContact CB-CD2 3.83Å; H164-F171 HydrophobicContact CB-CE2 4.22Å; H164-F171 HydrophobicContact CB-CG 3.98Å; H164-F171 AromaticContact CD2-CD1 3.69Å; H164-F171 AromaticContact CD2-CG 4Å
165	L	98.1	Very high	98.2	Very high	150 Å²	150	71.5 Å²	71.5	79%	0.785	34%	0.342	S	S	*	.	H	α-helix	trans	-63.4	-41.3	178.1	-178.9	63.6	0	0	0	111.8	A161 E162 H163	A161-L165 WeakPolarHBondContact O-CB 3.42Å; A161-L165 PolarHBondContact O-N 3.47Å; E162-L165 PolarHBondContact O-N 3.28Å; H163-L165 VanDerWaalsContact C-N 3.32Å; H163-L165 PolarHBondContact O-N 2.94Å
166	R	98.3	Very high	98.3	Very high	191 Å²	191	74 Å²	74	72%	0.721	35%	0.351	S	S	*	.	H	α-helix	trans	-73.3	-47.9	-179	-176.1	177.2	66.2	-146.6	-1.5	112.3	E162 H163 H164	E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 PolarHBondContact O-N 3.15Å; H163-R166 PolarHBondContact O-N 3.06Å; H164-R166 VanDerWaalsContact C-N 3.35Å
167	D	98.2	Very high	98.4	Very high	71 Å²	71	74.2 Å²	74.2	38%	0.38	35%	0.353	S	S	.	.			trans	-152.8	107.7	-176.7	-168.4	-27.8	0	0	0	111.2	H163 E169 D170 F171	H163-D167 PolarHBondContact O-N 3.45Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 WeakPolarHBondContact OD1-CA 3.18Å; D167-E169 PolarHBondContact OD1-N 3.04Å; D167-D170 HydrophobicContact CB-CB 3.97Å; D167-D170 PolarHBondContact OD1-N 3.06Å; D167-F171 VanDerWaalsContact O-CB 3.27Å; D167-F171 WeakPolarHBondContact O-CB 3.32Å; D167-F171 PolarHBondContact O-N 3.07Å
168	K	98.2	Very high	98.4	Very high	123 Å²	123	74.6 Å²	74.6	54%	0.535	35%	0.353	S	S	.	.	H	α-helix	trans	-72.3	-27.5	-179.6	-64.9	-176.1	-179.8	-177.8	0	113.1	H164 R172	H164-K168 VanDerWaalsContact O-CG 3.25Å; H164-K168 WeakPolarHBondContact O-CG 3.3Å; K168-R172 WeakPolarHBondContact O-CB 3.36Å; K168-R172 PolarHBondContact O-N 2.8Å; K168-R172 VanDerWaalsContact O-N 3.16Å
169	E	98.4	Very high	98.4	Very high	130 Å²	130	70.4 Å²	70.4	61%	0.607	33%	0.332	S	S	*	.	H	α-helix	trans	-76.7	-46.6	179.6	-172.6	174.8	179	0	0	110	D167 F171 R172 N173	D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 WeakPolarHBondContact OD1-CA 3.18Å; D167-E169 PolarHBondContact OD1-N 3.04Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.83Å; E169-R172 WeakPolarHBondContact O-CB 3.43Å; E169-R172 PolarHBondContact O-N 2.61Å; E169-R172 VanDerWaalsContact O-N 3.14Å; E169-N173 PolarHBondContact O-N 2.85Å; E169-N173 PolarHBondContact O-ND2 2.97Å
170	D	98.6	Very high	98.4	Very high	75 Å²	75	71.1 Å²	71.1	40%	0.401	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-38.9	175.3	-165.1	45.3	0	0	0	111.8	H163 D167 R172 N173 K174	H163-D170 IonicContact CE1-OD2 3.87Å; H163-D170 IonicContact NE2-OD2 3.69Å; H163-D170 PolarHBondContact NE2-OD2 2.64Å; D167-D170 HydrophobicContact CB-CB 3.97Å; D167-D170 PolarHBondContact OD1-N 3.06Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.26Å; D170-N173 PolarHBondContact O-N 3.01Å; D170-K174 PolarHBondContact O-N 3.35Å
171	F	98.8	Very high	98.4	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-55	-48.7	170.7	174.2	-91.3	0	0	0	111.4	Y74 W104 F152 A160 H163 H164 D167 E169 N173 K174 V175	Y74-F171 HydrophobicContact CD1-CD1 4.17Å; Y74-F171 HydrophobicContact CD1-CE1 4.06Å; Y74-F171 HydrophobicContact CD2-CE1 4.23Å; Y74-F171 HydrophobicContact CE1-CD1 4.21Å; Y74-F171 HydrophobicContact CE1-CE1 4.36Å; Y74-F171 AromaticContact CG-CE1 4Å; Y74-F171 HydrophobicContact CG-CE1 4Å; W104-F171 AromaticContact CD1-CD2 3.76Å; W104-F171 AromaticContact CD1-CE2 3.51Å; W104-F171 AromaticContact NE1-CD2 3.53Å; W104-F171 AromaticContact NE1-CE2 3.57Å; F152-F171 HydrophobicContact CE1-CE2 4.22Å; F152-F171 AromaticContact CE1-CZ 3.99Å; F152-F171 HydrophobicContact CE1-CZ 3.99Å; F152-F171 HydrophobicContact CZ-CE1 4.28Å; F152-F171 HydrophobicContact CZ-CZ 4.08Å; A160-F171 HydrophobicContact CB-CE2 4.43Å; A160-F171 WeakPolarHBondContact O-CE2 3.29Å; H163-F171 HydrophobicContact CB-CD2 4.42Å; H163-F171 PolarHBondContact NE2-N 3.26Å; H164-F171 HydrophobicContact CB-CB 4.43Å; H164-F171 HydrophobicContact CB-CD1 4.47Å; H164-F171 HydrophobicContact CB-CD2 3.83Å; H164-F171 HydrophobicContact CB-CE2 4.22Å; H164-F171 HydrophobicContact CB-CG 3.98Å; H164-F171 AromaticContact CD2-CD1 3.69Å; H164-F171 AromaticContact CD2-CG 4Å; D167-F171 VanDerWaalsContact O-CB 3.27Å; D167-F171 WeakPolarHBondContact O-CB 3.32Å; D167-F171 PolarHBondContact O-N 3.07Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 2.83Å; F171-N173 VanDerWaalsContact C-N 3.34Å; F171-N173 PolarHBondContact O-N 3.3Å; F171-K174 PolarHBondContact O-N 3.1Å; F171-V175 HydrophobicContact CD1-CG2 4.13Å; F171-V175 HydrophobicContact CE1-CG2 3.65Å; F171-V175 HydrophobicContact CE2-CG2 4.22Å; F171-V175 HydrophobicContact CZ-CG2 3.69Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.36Å
172	R	98.4	Very high	98.4	Very high	121 Å²	121	81 Å²	81	46%	0.457	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-44.4	178.1	-176.3	-175.6	-64.6	130.4	-0.5	111	Y74 K168 E169 D170 K174 V175 Q176	Y74-R172 HydrophobicContact CD1-CB 4.22Å; Y74-R172 HydrophobicContact CD1-CG 4.25Å; Y74-R172 HydrophobicContact CE1-CB 4.43Å; K168-R172 WeakPolarHBondContact O-CB 3.36Å; K168-R172 PolarHBondContact O-N 2.8Å; K168-R172 VanDerWaalsContact O-N 3.16Å; E169-R172 WeakPolarHBondContact O-CB 3.43Å; E169-R172 PolarHBondContact O-N 2.61Å; E169-R172 VanDerWaalsContact O-N 3.14Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.26Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.34Å; R172-V175 PolarHBondContact O-N 3.25Å; R172-Q176 VanDerWaalsContact O-CG 3.32Å; R172-Q176 WeakPolarHBondContact O-CG 3.5Å; R172-Q176 PolarHBondContact O-N 3Å
173	N	98.5	Very high	98.3	Very high	90 Å²	90	75.6 Å²	75.6	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-43.4	178.7	-68.4	-28.3	0	0	0	111.6	E169 D170 F171 Q176 D177	E169-N173 PolarHBondContact O-N 2.85Å; E169-N173 PolarHBondContact O-ND2 2.97Å; D170-N173 PolarHBondContact O-N 3.01Å; F171-N173 VanDerWaalsContact C-N 3.34Å; F171-N173 PolarHBondContact O-N 3.3Å; N173-Q176 PolarHBondContact O-N 3.28Å; N173-D177 PolarHBondContact O-N 3.12Å
174	K	98.6	Very high	97.6	Very high	63 Å²	63	86.2 Å²	86.2	27%	0.274	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.8	-174	171.5	-177.8	-179.5	0	112.5	W104 D170 F171 R172 Q176 D177 Y178	W104-K174 HydrophobicContact CD2-CD 3.87Å; W104-K174 HydrophobicContact CD2-CG 4.43Å; W104-K174 HydrophobicContact CE3-CD 4.47Å; W104-K174 HydrophobicContact CG-CD 4.07Å; W104-K174 HydrophobicContact CG-CG 4.13Å; W104-K174 HydrophobicContact CZ2-CD 4.2Å; W104-K174 VanDerWaalsContact CZ3-NZ 3.32Å; D170-K174 PolarHBondContact O-N 3.35Å; F171-K174 PolarHBondContact O-N 3.1Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.34Å; K174-Q176 VanDerWaalsContact C-N 3.32Å; K174-Q176 PolarHBondContact O-N 2.88Å; K174-D177 PolarHBondContact O-N 3.08Å; K174-Y178 HydrophobicContact CD-CE2 4.34Å; K174-Y178 VanDerWaalsContact CE-CE2 3.46Å; K174-Y178 HydrophobicContact CG-CD2 4.01Å; K174-Y178 HydrophobicContact CG-CE2 3.87Å; K174-Y178 VanDerWaalsContact O-CD2 3.29Å; K174-Y178 WeakPolarHBondContact O-CD2 3.27Å; K174-Y178 PolarHBondContact O-N 3.33Å
175	V	98.6	Very high	97.5	Very high	3 Å²	3	89.5 Å²	89.5	2%	0.018	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-45.8	174.3	170.2	0	0	0	0	110.7	Y74 Y75 W104 F171 R172 D177 Y178 I179	Y74-V175 VanDerWaalsContact O-CG1 3.32Å; Y74-V175 WeakPolarHBondContact O-CG1 3.13Å; Y75-V175 HydrophobicContact CD1-CG1 3.56Å; Y75-V175 HydrophobicContact CE1-CG1 3.67Å; Y75-V175 HydrophobicContact CE1-CG2 4.06Å; Y75-V175 HydrophobicContact CG-CG1 4.4Å; W104-V175 HydrophobicContact CB-CG2 4.39Å; F171-V175 HydrophobicContact CD1-CG2 4.13Å; F171-V175 HydrophobicContact CE1-CG2 3.65Å; F171-V175 HydrophobicContact CE2-CG2 4.22Å; F171-V175 HydrophobicContact CZ-CG2 3.69Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.36Å; R172-V175 PolarHBondContact O-N 3.25Å; V175-D177 VanDerWaalsContact C-N 3.34Å; V175-D177 PolarHBondContact O-N 3.31Å; V175-Y178 PolarHBondContact O-N 3.31Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.37Å; V175-I179 PolarHBondContact O-N 2.83Å
176	Q	98.4	Very high	97.5	Very high	84 Å²	84	86.3 Å²	86.3	39%	0.393	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-36.7	179.1	-67.4	-61.2	-47.2	0	0	112.7	Y74 R172 N173 K174 I179 K180	Y74-Q176 PolarHBondContact O-NE2 3.19Å; R172-Q176 VanDerWaalsContact O-CG 3.32Å; R172-Q176 WeakPolarHBondContact O-CG 3.5Å; R172-Q176 PolarHBondContact O-N 3Å; N173-Q176 PolarHBondContact O-N 3.28Å; K174-Q176 VanDerWaalsContact C-N 3.32Å; K174-Q176 PolarHBondContact O-N 2.88Å; Q176-I179 PolarHBondContact O-N 3.01Å; Q176-K180 WeakPolarHBondContact O-CB 3.41Å; Q176-K180 PolarHBondContact O-N 2.86Å
177	D	98.4	Very high	97.5	Very high	77 Å²	77	80.4 Å²	80.4	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-47.3	172.7	-170.2	64.2	0	0	0	111.6	N173 K174 V175 I179 K180 H181	N173-D177 PolarHBondContact O-N 3.12Å; K174-D177 PolarHBondContact O-N 3.08Å; V175-D177 VanDerWaalsContact C-N 3.34Å; V175-D177 PolarHBondContact O-N 3.31Å; D177-I179 VanDerWaalsContact C-N 3.32Å; D177-I179 PolarHBondContact O-N 2.92Å; D177-K180 WeakPolarHBondContact O-CB 3.49Å; D177-K180 PolarHBondContact O-N 3.41Å; D177-H181 PolarHBondContact O-CD2 3.28Å; D177-H181 PolarHBondContact O-N 3.5Å; D177-H181 IonicContact OD1-CD2 3.6Å; D177-H181 PolarHBondContact OD1-CD2 2.94Å; D177-H181 IonicContact OD1-NE2 3.36Å; D177-H181 PolarHBondContact OD1-NE2 3.42Å; D177-H181 IonicContact OD2-CD2 3.48Å
178	Y	98.6	Very high	97.4	Very high	24 Å²	24	81 Å²	81	9%	0.094	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-42.4	175.5	-88.7	-123.5	0	0	0	111.9	R102 W104 E110 K174 V175 K180 H181 Y182	R102-Y178 HydrophobicContact CG-CE1 4.31Å; W104-Y178 HydrophobicContact CB-CD1 3.87Å; W104-Y178 HydrophobicContact CB-CD2 4.26Å; W104-Y178 HydrophobicContact CB-CE1 4.01Å; W104-Y178 HydrophobicContact CB-CE2 4.42Å; W104-Y178 HydrophobicContact CB-CG 3.96Å; W104-Y178 HydrophobicContact CE3-CE1 4.29Å; W104-Y178 AromaticContact CE3-CZ 3.99Å; E110-Y178 HydrophobicContact CG-CE1 4.27Å; E110-Y178 WeakPolarHBondContact OE1-CE1 3.45Å; E110-Y178 PolarHBondContact OE1-OH 2.84Å; K174-Y178 HydrophobicContact CD-CE2 4.34Å; K174-Y178 VanDerWaalsContact CE-CE2 3.46Å; K174-Y178 HydrophobicContact CG-CD2 4.01Å; K174-Y178 HydrophobicContact CG-CE2 3.87Å; K174-Y178 VanDerWaalsContact O-CD2 3.29Å; K174-Y178 WeakPolarHBondContact O-CD2 3.27Å; K174-Y178 PolarHBondContact O-N 3.33Å; V175-Y178 PolarHBondContact O-N 3.31Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 2.54Å; Y178-H181 PolarHBondContact O-N 3.42Å; Y178-Y182 HydrophobicContact CD1-CD2 4.06Å; Y178-Y182 HydrophobicContact CD1-CE2 4.09Å; Y178-Y182 HydrophobicContact CE1-CE2 4.49Å; Y178-Y182 HydrophobicContact CG-CD2 4.21Å; Y178-Y182 HydrophobicContact CG-CE2 4.21Å; Y178-Y182 WeakPolarHBondContact O-CB 3.45Å; Y178-Y182 VanDerWaalsContact O-CD2 3.28Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.5Å; Y178-Y182 PolarHBondContact O-N 3.38Å
179	I	98.6	Very high	97.4	Very high	12 Å²	12	78.4 Å²	78.4	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-47.4	176.6	-72.7	165.7	0	0	0	110.6	F80 V175 Q176 D177 H181 A183	F80-I179 HydrophobicContact CE1-CG1 4.47Å; F80-I179 HydrophobicContact CZ-CD1 4.37Å; F80-I179 HydrophobicContact CZ-CG1 4Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.37Å; V175-I179 PolarHBondContact O-N 2.83Å; Q176-I179 PolarHBondContact O-N 3.01Å; D177-I179 VanDerWaalsContact C-N 3.32Å; D177-I179 PolarHBondContact O-N 2.92Å; I179-H181 VanDerWaalsContact C-N 3.26Å; I179-H181 PolarHBondContact O-N 2.93Å; I179-A183 CarbonylContact O-C 3.56Å; I179-A183 WeakPolarHBondContact O-CA 3.25Å; I179-A183 PolarHBondContact O-N 2.84Å
180	K	98	Very high	97.3	Very high	120 Å²	120	74.9 Å²	74.9	52%	0.522	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-36.8	179.5	179.3	-179.3	175	-169	0	112.6	Q176 D177 Y178	Q176-K180 WeakPolarHBondContact O-CB 3.41Å; Q176-K180 PolarHBondContact O-N 2.86Å; D177-K180 WeakPolarHBondContact O-CB 3.49Å; D177-K180 PolarHBondContact O-N 3.41Å; Y178-K180 VanDerWaalsContact C-N 3.34Å; Y178-K180 PolarHBondContact O-N 2.54Å
181	H	98.1	Very high	97.2	Very high	114 Å²	114	74.9 Å²	74.9	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-86.4	-31.9	-175.6	-80	-70.9	0	0	0	114.2	D177 Y178 I179	D177-H181 PolarHBondContact O-CD2 3.28Å; D177-H181 PolarHBondContact O-N 3.5Å; D177-H181 IonicContact OD1-CD2 3.6Å; D177-H181 PolarHBondContact OD1-CD2 2.94Å; D177-H181 IonicContact OD1-NE2 3.36Å; D177-H181 PolarHBondContact OD1-NE2 3.42Å; D177-H181 IonicContact OD2-CD2 3.48Å; Y178-H181 PolarHBondContact O-N 3.42Å; I179-H181 VanDerWaalsContact C-N 3.26Å; I179-H181 PolarHBondContact O-N 2.93Å
182	Y	97.9	Very high	97.1	Very high	105 Å²	105	80.7 Å²	80.7	41%	0.412	35%	0.35	S	S	.	.	H	α-helix	trans	-128.4	-16.2	-167.3	-50.6	-64.3	0	0	0	115.1	T101 R102 Y178	T101-Y182 WeakPolarHBondContact CG2-O 3.36Å; R102-Y182 HydrophobicContact CB-CD1 4.36Å; R102-Y182 HydrophobicContact CB-CD2 4.19Å; R102-Y182 HydrophobicContact CB-CG 4.01Å; R102-Y182 HydrophobicContact CG-CD2 4.34Å; R102-Y182 HydrophobicContact CG-CE2 4.46Å; R102-Y182 PolarHBondContact NH1-OH 3.37Å; Y178-Y182 HydrophobicContact CD1-CD2 4.06Å; Y178-Y182 HydrophobicContact CD1-CE2 4.09Å; Y178-Y182 HydrophobicContact CE1-CE2 4.49Å; Y178-Y182 HydrophobicContact CG-CD2 4.21Å; Y178-Y182 HydrophobicContact CG-CE2 4.21Å; Y178-Y182 WeakPolarHBondContact O-CB 3.45Å; Y178-Y182 VanDerWaalsContact O-CD2 3.28Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.5Å; Y178-Y182 PolarHBondContact O-N 3.38Å
183	A	96.2	Very high	97	Very high	2 Å²	2	77.3 Å²	77.3	2%	0.017	34%	0.341	C	S	.	.			trans	-132.8	36.3	-165.9	0	0	0	0	0	113.7	G78 R79 F80 T101 I179	G78-A183 CarbonylContact C-O 3.46Å; R79-A183 PolarHBondContact N-O 2.91Å; R79-A183 WeakPolarHBondContact O-CB 3.3Å; F80-A183 HydrophobicContact CD1-CB 4.09Å; F80-A183 HydrophobicContact CE1-CB 3.76Å; F80-A183 HydrophobicContact CZ-CB 4.34Å; T101-A183 HydrophobicContact CG2-CB 3.64Å; I179-A183 CarbonylContact O-C 3.56Å; I179-A183 WeakPolarHBondContact O-CA 3.25Å; I179-A183 PolarHBondContact O-N 2.84Å
184	R	84.1	Confident	96.8	Very high	234 Å²	234	76.2 Å²	76.2	88%	0.883	33%	0.328	S	S	*	.			trans	-90.1	0	171.3	-73.9	-170.7	170.6	-161.8	-3.2	112.4

Retrieved 184 of 184 residues in 169.7 ms (Link to these results)

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