UB2E1_HUMAN Loading...

Ubiquitin-conjugating enzyme E2 E1

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. Catalyzes the covalent attachment of ISG15 to other proteins. Mediates the selective degradation of short-lived and abnormal proteins. In vitro also catalyzes 'Lys-48'-linked polyubiquitination. Catalyzes monoubiquitination of other proteins in both an E3-dependent and E3-independent manner¹.

AlphaFold DB , UniProt , Accession P51965, Species HUMAN (Homo sapiens, Human), Gene UBE2E1, Length 193 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.6	Low	57.8	Low	236 Å²	236	134.7 Å²	134.7	100%	1.163	77%	0.771	S	S	*	*				0	112	0	-80.5	175.4	157.4	0	0	105.8
2	S	64	Low	57.3	Low	104 Å²	104	132.3 Å²	132.3	73%	0.727	77%	0.768	S	S	*	*			trans	70.3	112.9	172.6	-51.3	0	0	0	0	113.5
3	D	61	Low	57	Low	147 Å²	147	129.7 Å²	129.7	79%	0.786	76%	0.762	S	S	*	*			cis	65.6	141.1	24.5	-26.7	-62.5	0	0	0	112.3
4	D	67.4	Low	56.6	Low	150 Å²	150	128.4 Å²	128.4	80%	0.802	76%	0.763	S	S	*	*			cis	-152.8	-171	-6.3	-145.9	4.9	0	0	0	108.1
5	D	60.7	Low	56.5	Low	104 Å²	104	127.5 Å²	127.5	56%	0.556	77%	0.766	S	S	*	*			cis	-133.7	162.7	11.5	174.2	27	0	0	0	109.8	R7	D5-R7 IonicContact OD2-CZ 3Å; D5-R7 IonicContact OD2-NE 3.6Å; D5-R7 PolarHBondContact OD2-NE 3.27Å; D5-R7 IonicContact OD2-NH2 3.21Å; D5-R7 PolarHBondContact OD2-NH2 3.12Å
6	S	59	Low	55.9	Low	93 Å²	93	126.6 Å²	126.6	65%	0.65	77%	0.767	S	S	*	*			trans	-94.9	174.6	176.2	-64.1	0	0	0	0	112.9
7	R	64.7	Low	55.7	Low	228 Å²	228	126.5 Å²	126.5	86%	0.86	77%	0.774	S	S	*	*			trans	-166.6	153.6	146.4	-106	146.5	-133.4	-144.7	1.8	114.1	D5	D5-R7 IonicContact OD2-CZ 3Å; D5-R7 IonicContact OD2-NE 3.6Å; D5-R7 PolarHBondContact OD2-NE 3.27Å; D5-R7 IonicContact OD2-NH2 3.21Å; D5-R7 PolarHBondContact OD2-NH2 3.12Å
8	A	52	Low	55.1	Low	88 Å²	88	125.9 Å²	125.9	73%	0.727	78%	0.776	S	S	*	*			trans	-145.9	175	-170.6	0	0	0	0	0	112.4
9	S	49.6	Very low	54.8	Low	105 Å²	105	127.5 Å²	127.5	73%	0.734	78%	0.779	S	S	*	*			trans	22.3	140.4	149.6	60.1	0	0	0	0	120.2
10	T	50.4	Low	54.5	Low	133 Å²	133	129.1 Å²	129.1	82%	0.816	78%	0.777	S	S	*	*				-141.8	-125.2	61.8	48.6	0	0	0	0	115.6
11	S	50.9	Low	54	Low	94 Å²	94	130.4 Å²	130.4	66%	0.657	78%	0.775	S	S	*	*			trans	-170.5	-174.5	-135.5	61.1	0	0	0	0	115.7
12	S	51.7	Low	53.4	Low	106 Å²	106	126.3 Å²	126.3	74%	0.741	76%	0.763	S	S	*	*			trans	72	153.9	162.4	20	0	0	0	0	116.5
13	S	52.9	Low	52.2	Low	98 Å²	98	129.4 Å²	129.4	69%	0.685	77%	0.767	S	S	*	*			cis	-169.6	162.5	-5.5	42.5	0	0	0	0	111.5
14	S	51.6	Low	51.5	Low	111 Å²	111	132 Å²	132	78%	0.776	77%	0.771	S	S	*	*			trans	63.7	158.7	154.5	48.8	0	0	0	0	119
15	S	55	Low	50.1	Low	115 Å²	115	133.3 Å²	133.3	80%	0.804	77%	0.772	S	S	*	*			cis	-150.3	170.5	1.8	27.9	0	0	0	0	112.5
16	S	46.7	Very low	49.4	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	78%	0.781	S	S	*	*			trans	-78.2	157.6	-174.9	-27.5	0	0	0	0	115.7
17	S	53.7	Low	48.6	Very low	125 Å²	125	136.6 Å²	136.6	87%	0.874	79%	0.787	S	S	*	*				-172.8	157	124.9	-82.5	0	0	0	0	112.8
18	S	44.4	Very low	47.9	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	78%	0.781	S	S	*	*			trans	-110.3	151.5	-168.4	-44.1	0	0	0	0	113.1
19	N	49.2	Very low	47.4	Very low	155 Å²	155	132.4 Å²	132.4	83%	0.829	78%	0.78	S	S	*	*			trans	-156.9	177.1	140.8	-125.2	-25.5	0	0	0	114.1
20	Q	48.9	Very low	47	Very low	159 Å²	159	134.6 Å²	134.6	74%	0.743	78%	0.776	S	S	*	*			trans	-98.5	151.8	-147.5	-64.5	169.3	-7.9	0	0	117.4
21	Q	42.8	Very low	46.6	Very low	158 Å²	158	138.4 Å²	138.4	74%	0.738	78%	0.781	S	S	*	*			trans	24.8	126.4	145.3	-64.5	171.9	-66.4	0	0	120.6
22	T	45.4	Very low	46.2	Very low	149 Å²	149	143.1 Å²	143.1	91%	0.914	79%	0.79	S	S	*	*				-148.6	141.6	124.1	-18.7	0	0	0	0	109.9
23	E	38.4	Very low	45.7	Very low	170 Å²	170	144 Å²	144	79%	0.794	78%	0.782	S	S	*	*			trans	-90.8	144	-171.3	-62.6	170.6	146.8	0	0	112.4
24	K	45.8	Very low	45.4	Very low	200 Å²	200	144 Å²	144	87%	0.87	78%	0.782	S	S	*	*			trans	-158.8	107.7	154.7	-118.1	168.1	-174.1	173.8	0	110.5
25	E	38.2	Very low	45	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	79%	0.785	S	S	*	*			trans	-71.9	132.6	175.4	-61	-172.2	114.8	0	0	111.2
26	T	46.8	Very low	44.6	Very low	121 Å²	121	146.3 Å²	146.3	74%	0.742	77%	0.771	S	S	*	*			trans	-131	77.9	170.1	-34.3	0	0	0	0	110.3	T28	T26-T28 PolarHBondContact O-N 2.68Å; T26-T28 VanDerWaalsContact O-N 3.12Å; T26-T28 PolarHBondContact O-OG1 2.81Å
27	N	41.1	Very low	44.3	Very low	145 Å²	145	144.7 Å²	144.7	78%	0.775	76%	0.759	S	S	*	*			trans	-57.7	112.6	179.9	-108	-53.9	0	0	0	111.9
28	T	50.6	Low	44.1	Very low	121 Å²	121	146.1 Å²	146.1	74%	0.742	75%	0.754	S	S	*	*			trans	-132.2	89.2	177.6	-46.4	0	0	0	0	111.7	T26	T26-T28 PolarHBondContact O-N 2.68Å; T26-T28 VanDerWaalsContact O-N 3.12Å; T26-T28 PolarHBondContact O-OG1 2.81Å
29	P	40.6	Very low	44.5	Very low	107 Å²	107	144 Å²	144	70%	0.695	74%	0.739	S	S	*	*			trans	-90.2	111.3	-177.9	32.7	-31.9	0	0	0	112.6
30	K	42.4	Very low	44.5	Very low	151 Å²	151	143.7 Å²	143.7	66%	0.657	73%	0.731	S	S	*	*			trans	-165.9	87.9	160.5	-107.4	143.7	-175.9	-78.6	0	114.2	E33	K30-E33 IonicContact NZ-OE1 2.68Å; K30-E33 PolarHBondContact NZ-OE1 3.45Å; K30-E33 IonicContact NZ-OE2 2.81Å; K30-E33 PolarHBondContact NZ-OE2 3.17Å
31	K	41.4	Very low	44.8	Very low	213 Å²	213	142 Å²	142	93%	0.926	73%	0.726	S	S	*	*	S	Bend	trans	-137.9	59.7	162	-98.4	-171.3	176.6	177.8	0	111.1
32	K	43.8	Very low	45.6	Very low	193 Å²	193	137.4 Å²	137.4	84%	0.839	71%	0.712	S	S	*	*			trans	-148.1	-0.7	179	-115.2	174.4	-176	177.2	0	117.2
33	E	40.7	Very low	46.4	Very low	124 Å²	124	138.2 Å²	138.2	58%	0.579	70%	0.703	S	S	*	*			trans	-90.7	-15.5	-168.7	-67	176.9	149	0	0	114.8	K30 K35 V36	K30-E33 IonicContact NZ-OE1 2.68Å; K30-E33 PolarHBondContact NZ-OE1 3.45Å; K30-E33 IonicContact NZ-OE2 2.81Å; K30-E33 PolarHBondContact NZ-OE2 3.17Å; E33-K35 VanDerWaalsContact C-N 3.34Å; E33-K35 PolarHBondContact O-N 3.14Å; E33-V36 PolarHBondContact O-N 3.5Å
34	S	46.1	Very low	48.3	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.3	-171.7	53.3	0	0	0	0	116.5
35	K	43.9	Very low	50	Low	190 Å²	190	130.4 Å²	130.4	83%	0.826	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-5.4	177	-76.4	-166.9	173.8	-173.3	0	114.8	E33	E33-K35 VanDerWaalsContact C-N 3.34Å; E33-K35 PolarHBondContact O-N 3.14Å
36	V	45.5	Very low	52.6	Low	85 Å²	85	124.2 Å²	124.2	52%	0.515	65%	0.652	S	S	.	*	S	Bend	trans	-97.5	-17.4	-173.6	-174.4	0	0	0	0	113	E33 S39	E33-V36 PolarHBondContact O-N 3.5Å; V36-S39 PolarHBondContact O-OG 3.41Å
37	S	41.2	Very low	54.9	Low	78 Å²	78	123.7 Å²	123.7	55%	0.545	65%	0.648	S	S	.	*	S	Bend	trans	-70.4	-45	-177.4	51.6	0	0	0	0	113.6	S39 K40	S37-S39 VanDerWaalsContact C-N 3.34Å; S37-S39 PolarHBondContact O-N 3.5Å; S37-K40 PolarHBondContact O-N 3.29Å
38	M	48.7	Very low	57.6	Low	155 Å²	155	117 Å²	117	76%	0.764	61%	0.613	S	S	*	*	H	α-helix	trans	-63.2	-33.4	-174.4	-71.2	-165.1	-117.8	0	0	114	K40	M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.31Å
39	S	52.6	Low	59.8	Low	73 Å²	73	111.5 Å²	111.5	51%	0.51	58%	0.579	S	S	.	*	H	α-helix	trans	-75.5	-9.8	-174.5	64.4	0	0	0	0	114.7	V36 S37	V36-S39 PolarHBondContact O-OG 3.41Å; S37-S39 VanDerWaalsContact C-N 3.34Å; S37-S39 PolarHBondContact O-N 3.5Å
40	K	49	Very low	62.5	Low	149 Å²	149	110.9 Å²	110.9	65%	0.648	57%	0.566	S	S	*	*	H	α-helix	trans	-86.5	-37.8	175.3	-68.7	-173.4	177.9	-177.8	0	112.7	S37 M38 S42 K43	S37-K40 PolarHBondContact O-N 3.29Å; M38-K40 VanDerWaalsContact C-N 3.27Å; M38-K40 PolarHBondContact O-N 3.31Å; K40-S42 PolarHBondContact O-N 3.38Å; K40-K43 PolarHBondContact O-N 3.43Å
41	N	56.3	Low	65.1	Low	122 Å²	122	106.3 Å²	106.3	65%	0.652	54%	0.544	S	S	*	.	H	α-helix	trans	-69	-34.9	-175.4	-104	16.3	0	0	0	113.8	K43 L44	N41-K43 PolarHBondContact O-N 3.27Å; N41-K43 VanDerWaalsContact O-N 3.14Å; N41-L44 PolarHBondContact O-N 2.66Å
42	S	58.2	Low	67.8	Low	63 Å²	63	96.1 Å²	96.1	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-23.8	-178.5	59.2	0	0	0	0	113.9	K40 K50	K40-S42 PolarHBondContact O-N 3.38Å; S42-K50 WeakPolarHBondContact O-CE 3.23Å
43	K	64	Low	70.3	Confident	166 Å²	166	91.1 Å²	91.1	72%	0.722	48%	0.48	S	S	*	.	H	α-helix	trans	-65.1	-39.7	177.1	-66.5	-168.5	175.7	-171.1	0	112.2	K40 N41 L45 K50	K40-K43 PolarHBondContact O-N 3.43Å; N41-K43 PolarHBondContact O-N 3.27Å; N41-K43 VanDerWaalsContact O-N 3.14Å; K43-L45 VanDerWaalsContact C-N 3.35Å; K43-L45 PolarHBondContact O-N 3.15Å; K43-K50 PolarHBondContact O-NZ 2.93Å
44	L	77.3	Confident	73	Confident	149 Å²	149	90.9 Å²	90.9	78%	0.78	48%	0.477	S	S	*	.	H	α-helix	trans	-77.7	-12.4	-173.8	-63.9	176.9	0	0	0	114.7	N41	N41-L44 PolarHBondContact O-N 2.66Å
45	L	82.2	Confident	75.5	Confident	57 Å²	57	86.4 Å²	86.4	30%	0.298	45%	0.445	S	S	.	.	S	Bend	trans	-63.1	139.1	179.3	-65.6	171.2	0	0	0	111.4	K43 A49 K50 Q53	K43-L45 VanDerWaalsContact C-N 3.35Å; K43-L45 PolarHBondContact O-N 3.15Å; L45-A49 HydrophobicContact CB-CB 4.31Å; L45-A49 HydrophobicContact CD2-CB 4.33Å; L45-K50 HydrophobicContact CB-CD 4.37Å; L45-K50 HydrophobicContact CB-CG 3.89Å; L45-K50 VanDerWaalsContact O-CE 3.23Å; L45-K50 WeakPolarHBondContact O-CE 3.35Å; L45-K50 PolarHBondContact O-NZ 2.69Å; L45-Q53 VanDerWaalsContact CD1-OE1 3.25Å
46	S	93.2	Very high	78	Confident	49 Å²	49	79.4 Å²	79.4	34%	0.343	42%	0.416	S	S	.	.			trans	-62.6	161.5	174.7	61.3	0	0	0	0	111.9	S48 A49 K50 Y77	S46-S48 PolarHBondContact O-N 2.99Å; S46-S48 PolarHBondContact OG-OG 3.39Å; S46-A49 PolarHBondContact O-N 3.05Å; S46-A49 VanDerWaalsContact OG-CB 3.23Å; S46-A49 WeakPolarHBondContact OG-CB 3.23Å; S46-A49 PolarHBondContact OG-N 3.27Å; S46-K50 WeakPolarHBondContact O-CB 3.11Å; S46-K50 WeakPolarHBondContact O-CG 3.48Å; S46-K50 PolarHBondContact O-N 2.77Å; S46-Y77 PolarHBondContact OG-OH 3.07Å
47	T	94.7	Very high	80.5	Confident	109 Å²	109	78.2 Å²	78.2	67%	0.669	42%	0.416	S	S	*	.	H	α-helix	trans	-58	-38.9	174.7	-49.6	0	0	0	0	111.6	R51	T47-R51 VanDerWaalsContact O-CB 3.3Å; T47-R51 WeakPolarHBondContact O-CB 3.45Å; T47-R51 PolarHBondContact O-N 3.22Å
48	S	96.9	Very high	83.2	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-47.7	175	44.6	0	0	0	0	112.4	S46 K50 R51 I52 Y77 P104 Y106	S46-S48 PolarHBondContact O-N 2.99Å; S46-S48 PolarHBondContact OG-OG 3.39Å; S48-K50 VanDerWaalsContact C-N 3.35Å; S48-K50 PolarHBondContact O-N 3.07Å; S48-R51 PolarHBondContact O-N 3.06Å; S48-I52 WeakPolarHBondContact O-CD1 3.24Å; S48-I52 WeakPolarHBondContact O-CG1 3.21Å; S48-I52 PolarHBondContact O-N 2.85Å; S48-Y77 PolarHBondContact OG-OH 2.81Å; S48-P104 WeakPolarHBondContact CB-O 3.16Å; S48-P104 PolarHBondContact OG-O 2.91Å; S48-Y106 VanDerWaalsContact CA-O 3.25Å; S48-Y106 WeakPolarHBondContact CA-O 3.37Å; S48-Y106 WeakPolarHBondContact CB-O 3.48Å
49	A	96.9	Very high	85.5	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-42.1	176.9	0	0	0	0	0	112.1	L45 S46 R51 I52 Q53 I76 Y77	L45-A49 HydrophobicContact CB-CB 4.31Å; L45-A49 HydrophobicContact CD2-CB 4.33Å; S46-A49 PolarHBondContact O-N 3.05Å; S46-A49 VanDerWaalsContact OG-CB 3.23Å; S46-A49 WeakPolarHBondContact OG-CB 3.23Å; S46-A49 PolarHBondContact OG-N 3.27Å; A49-R51 PolarHBondContact O-N 2.94Å; A49-I52 PolarHBondContact O-N 3.05Å; A49-Q53 WeakPolarHBondContact O-CB 3.45Å; A49-Q53 VanDerWaalsContact O-CG 3.3Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.71Å; A49-I76 HydrophobicContact CB-CG2 4.45Å; A49-Y77 HydrophobicContact CB-CE2 4.43Å; A49-Y77 PolarHBondContact N-OH 2.89Å
50	K	96.8	Very high	87.5	Confident	94 Å²	94	71.9 Å²	71.9	41%	0.409	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-41.6	174.6	-75.8	165	172	145	0	112.1	S42 K43 L45 S46 S48 K54	S42-K50 WeakPolarHBondContact O-CE 3.23Å; K43-K50 PolarHBondContact O-NZ 2.93Å; L45-K50 HydrophobicContact CB-CD 4.37Å; L45-K50 HydrophobicContact CB-CG 3.89Å; L45-K50 VanDerWaalsContact O-CE 3.23Å; L45-K50 WeakPolarHBondContact O-CE 3.35Å; L45-K50 PolarHBondContact O-NZ 2.69Å; S46-K50 WeakPolarHBondContact O-CB 3.11Å; S46-K50 WeakPolarHBondContact O-CG 3.48Å; S46-K50 PolarHBondContact O-N 2.77Å; S48-K50 VanDerWaalsContact C-N 3.35Å; S48-K50 PolarHBondContact O-N 3.07Å; K50-K54 PolarHBondContact O-N 2.93Å; K50-K54 VanDerWaalsContact O-N 3.1Å
51	R	97.7	Very high	89.8	Confident	55 Å²	55	72.2 Å²	72.2	21%	0.208	39%	0.385	C	S	.	.	H	α-helix	trans	-64.6	-46.8	176.3	172.8	64.7	-166.5	-99.7	-22.4	112	T47 S48 A49 K54 E55 Y106 P107 P141 L143	T47-R51 VanDerWaalsContact O-CB 3.3Å; T47-R51 WeakPolarHBondContact O-CB 3.45Å; T47-R51 PolarHBondContact O-N 3.22Å; S48-R51 PolarHBondContact O-N 3.06Å; A49-R51 PolarHBondContact O-N 2.94Å; R51-K54 PolarHBondContact O-N 3Å; R51-E55 IonicContact CZ-OE1 3.35Å; R51-E55 IonicContact NE-OE1 3.14Å; R51-E55 PolarHBondContact NE-OE1 3.14Å; R51-E55 IonicContact NH2-OE1 2.81Å; R51-E55 PolarHBondContact NH2-OE1 2.84Å; R51-E55 PolarHBondContact O-N 3.13Å; R51-E55 VanDerWaalsContact O-N 3.08Å; R51-Y106 HydrophobicContact CG-CD1 3.94Å; R51-Y106 HydrophobicContact CG-CE1 3.83Å; R51-P107 HydrophobicContact CG-CB 4.27Å; R51-P107 HydrophobicContact CG-CG 4.16Å; R51-P141 PolarHBondContact NH1-O 3.41Å; R51-L143 PolarHBondContact NH2-O 2.85Å
52	I	98	Very high	91.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-67.1	-38.6	179.8	-60.2	159.7	0	0	0	111	S48 A49 K54 E55 L56 I76 Y77 W79 F102 Y106	S48-I52 WeakPolarHBondContact O-CD1 3.24Å; S48-I52 WeakPolarHBondContact O-CG1 3.21Å; S48-I52 PolarHBondContact O-N 2.85Å; A49-I52 PolarHBondContact O-N 3.05Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.35Å; I52-E55 PolarHBondContact O-N 2.88Å; I52-L56 PolarHBondContact O-N 3.5Å; I52-I76 HydrophobicContact CB-CG1 4.26Å; I52-I76 HydrophobicContact CG2-CD1 3.98Å; I52-I76 HydrophobicContact CG2-CG1 3.82Å; I52-I76 WeakPolarHBondContact CG2-O 3.28Å; I52-Y77 HydrophobicContact CD1-CD1 3.71Å; I52-Y77 HydrophobicContact CD1-CE1 3.75Å; I52-Y77 HydrophobicContact CD1-CG 4.36Å; I52-W79 HydrophobicContact CG2-CZ2 3.49Å; I52-W79 VanDerWaalsContact CG2-CZ2 3.49Å; I52-F102 HydrophobicContact CD1-CB 3.61Å; I52-F102 HydrophobicContact CD1-CD1 3.92Å; I52-F102 HydrophobicContact CD1-CD2 4.04Å; I52-F102 HydrophobicContact CD1-CG 3.61Å; I52-F102 HydrophobicContact CG1-CB 4.44Å; I52-F102 HydrophobicContact CG1-CD1 3.79Å; I52-F102 HydrophobicContact CG1-CD2 4.35Å; I52-F102 HydrophobicContact CG1-CE1 3.95Å; I52-F102 HydrophobicContact CG1-CG 3.97Å; I52-F102 HydrophobicContact CG1-CZ 4.3Å; I52-F102 HydrophobicContact CG2-CD2 4.2Å; I52-F102 HydrophobicContact CG2-CE1 4.35Å; I52-F102 HydrophobicContact CG2-CE2 3.81Å; I52-F102 HydrophobicContact CG2-CZ 3.85Å; I52-Y106 HydrophobicContact CD1-CD1 4.29Å; I52-Y106 HydrophobicContact CG1-CD1 3.67Å; I52-Y106 HydrophobicContact CG1-CE1 4.1Å
53	Q	96.8	Very high	93.3	Very high	87 Å²	87	72.7 Å²	72.7	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-36.9	173.2	-77.5	179.8	-9.2	0	0	113	L45 A49 L56 A57 I76	L45-Q53 VanDerWaalsContact CD1-OE1 3.25Å; A49-Q53 WeakPolarHBondContact O-CB 3.45Å; A49-Q53 VanDerWaalsContact O-CG 3.3Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.71Å; Q53-L56 PolarHBondContact O-N 3.18Å; Q53-A57 PolarHBondContact O-N 2.7Å; Q53-A57 VanDerWaalsContact O-N 3.13Å; Q53-I76 HydrophobicContact CG-CD1 4.17Å; Q53-I76 HydrophobicContact CG-CG1 4.12Å
54	K	97.3	Very high	94.7	Very high	119 Å²	119	65.2 Å²	65.2	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-49.1	172.6	-169.8	-163.2	178.2	-63.7	0	110.6	K50 R51 I52 L56 A57 D58	K50-K54 PolarHBondContact O-N 2.93Å; K50-K54 VanDerWaalsContact O-N 3.1Å; R51-K54 PolarHBondContact O-N 3Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-K54 PolarHBondContact O-N 3.35Å; K54-L56 PolarHBondContact O-N 3.4Å; K54-A57 WeakPolarHBondContact O-CB 3.49Å; K54-A57 PolarHBondContact O-N 3.09Å; K54-A57 VanDerWaalsContact O-N 3.07Å; K54-D58 IonicContact NZ-OD1 2.69Å; K54-D58 PolarHBondContact NZ-OD1 2.91Å; K54-D58 IonicContact NZ-OD2 2.7Å; K54-D58 PolarHBondContact NZ-OD2 2.94Å; K54-D58 PolarHBondContact O-N 2.96Å
55	E	97.8	Very high	95.5	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-30.3	178.6	-77.7	-177.3	-119.9	0	0	113.2	R51 I52 D58 I59 W79 Y106 T144 I145	R51-E55 IonicContact CZ-OE1 3.35Å; R51-E55 IonicContact NE-OE1 3.14Å; R51-E55 PolarHBondContact NE-OE1 3.14Å; R51-E55 IonicContact NH2-OE1 2.81Å; R51-E55 PolarHBondContact NH2-OE1 2.84Å; R51-E55 PolarHBondContact O-N 3.13Å; R51-E55 VanDerWaalsContact O-N 3.08Å; I52-E55 PolarHBondContact O-N 2.88Å; E55-D58 PolarHBondContact O-N 3.42Å; E55-I59 WeakPolarHBondContact O-CB 3.39Å; E55-I59 VanDerWaalsContact O-CG2 3.23Å; E55-I59 WeakPolarHBondContact O-CG2 3.44Å; E55-I59 PolarHBondContact O-N 2.88Å; E55-W79 HydrophobicContact CB-CH2 4.45Å; E55-Y106 WeakPolarHBondContact OE1-CE1 3.21Å; E55-Y106 PolarHBondContact OE1-OH 2.8Å; E55-Y106 PolarHBondContact OE2-OH 3.37Å; E55-T144 HydrophobicContact CG-CG2 4.16Å; E55-T144 WeakPolarHBondContact OE2-CA 3.39Å; E55-T144 WeakPolarHBondContact OE2-CB 3.48Å; E55-I145 PolarHBondContact OE2-N 2.91Å
56	L	97.8	Very high	95.9	Very high	43 Å²	43	63.5 Å²	63.5	23%	0.225	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-42.1	171.9	-174.3	55	0	0	0	111.7	I52 Q53 K54 T60 P71 I76 W79	I52-L56 PolarHBondContact O-N 3.5Å; Q53-L56 PolarHBondContact O-N 3.18Å; K54-L56 PolarHBondContact O-N 3.4Å; L56-T60 WeakPolarHBondContact O-CB 3.11Å; L56-T60 PolarHBondContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 2.86Å; L56-P71 HydrophobicContact CD2-CG 3.77Å; L56-I76 HydrophobicContact CD2-CD1 4.03Å; L56-W79 HydrophobicContact CB-CH2 3.92Å; L56-W79 HydrophobicContact CB-CZ2 3.75Å; L56-W79 HydrophobicContact CD1-CH2 4.04Å; L56-W79 HydrophobicContact CD1-CZ2 4.06Å; L56-W79 HydrophobicContact CG-CZ2 4.37Å
57	A	97.5	Very high	96.1	Very high	60 Å²	60	61.8 Å²	61.8	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-45.7	174.3	0	0	0	0	0	111.3	Q53 K54 T60 L61	Q53-A57 PolarHBondContact O-N 2.7Å; Q53-A57 VanDerWaalsContact O-N 3.13Å; K54-A57 WeakPolarHBondContact O-CB 3.49Å; K54-A57 PolarHBondContact O-N 3.09Å; K54-A57 VanDerWaalsContact O-N 3.07Å; A57-T60 PolarHBondContact O-N 3Å; A57-L61 WeakPolarHBondContact O-CB 3.25Å; A57-L61 PolarHBondContact O-N 2.87Å
58	D	97	Very high	96.2	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-49.7	179	-61.1	-26.7	0	0	0	110.9	K54 E55 L61 D62	K54-D58 IonicContact NZ-OD1 2.69Å; K54-D58 PolarHBondContact NZ-OD1 2.91Å; K54-D58 IonicContact NZ-OD2 2.7Å; K54-D58 PolarHBondContact NZ-OD2 2.94Å; K54-D58 PolarHBondContact O-N 2.96Å; E55-D58 PolarHBondContact O-N 3.42Å; D58-L61 PolarHBondContact O-N 2.94Å; D58-D62 PolarHBondContact O-N 3.21Å
59	I	96.6	Very high	96.2	Very high	5 Å²	5	60 Å²	60	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-76.3	-20.3	-178.5	-155.2	171.4	0	0	0	114.1	E55 P63 P64 A69 W79 I145 L149	E55-I59 WeakPolarHBondContact O-CB 3.39Å; E55-I59 VanDerWaalsContact O-CG2 3.23Å; E55-I59 WeakPolarHBondContact O-CG2 3.44Å; E55-I59 PolarHBondContact O-N 2.88Å; I59-P63 WeakPolarHBondContact O-CA 3.32Å; I59-P63 WeakPolarHBondContact O-CB 3.3Å; I59-P64 HydrophobicContact CD1-CG 4.4Å; I59-A69 HydrophobicContact CD1-CB 4.17Å; I59-W79 HydrophobicContact CG2-CH2 4.3Å; I59-W79 HydrophobicContact CG2-CZ3 4.12Å; I59-I145 HydrophobicContact CD1-CG2 4.13Å; I59-L149 HydrophobicContact CD1-CD1 4.03Å
60	T	95.5	Very high	96.3	Very high	106 Å²	106	60.6 Å²	60.6	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-78	-29.3	172.5	-58.5	0	0	0	0	111.1	L56 A57	L56-T60 WeakPolarHBondContact O-CB 3.11Å; L56-T60 PolarHBondContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 2.86Å; A57-T60 PolarHBondContact O-N 3Å
61	L	96.4	Very high	96.3	Very high	157 Å²	157	58.4 Å²	58.4	82%	0.822	34%	0.335	S	S	*	.	H	α-helix	trans	-82.7	-41.5	176.9	-178.4	62.8	0	0	0	112.2	A57 D58	A57-L61 WeakPolarHBondContact O-CB 3.25Å; A57-L61 PolarHBondContact O-N 2.87Å; D58-L61 PolarHBondContact O-N 2.94Å
62	D	95.1	Very high	96.3	Very high	126 Å²	126	59.4 Å²	59.4	67%	0.674	34%	0.341	S	S	*	.	S	Bend	trans	-133.7	79.8	-178.5	-172.4	32.6	0	0	0	110.3	D58	D58-D62 PolarHBondContact O-N 3.21Å
63	P	94.3	Very high	96.2	Very high	68 Å²	68	61.5 Å²	61.5	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-72.9	133.8	178.5	28.5	-33.4	0	0	0	110.8	I59	I59-P63 WeakPolarHBondContact O-CA 3.32Å; I59-P63 WeakPolarHBondContact O-CB 3.3Å
64	P	93.3	Very high	96.1	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.058	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.2	178.3	14.7	-21	0	0	0	111.8	I59 N66 C67 L149 L150	I59-P64 HydrophobicContact CD1-CG 4.4Å; P64-N66 PolarHBondContact O-N 3.48Å; P64-C67 HydrophobicContact CB-CB 4.2Å; P64-C67 HydrophobicContact CG-CB 3.78Å; P64-C67 WeakPolarHBondContact O-CA 3.45Å; P64-C67 VanDerWaalsContact O-CB 3.29Å; P64-C67 WeakPolarHBondContact O-CB 3.49Å; P64-C67 PolarHBondContact O-N 3.36Å; P64-L149 HydrophobicContact CG-CB 4.41Å; P64-L149 HydrophobicContact CG-CD1 4.49Å; P64-L150 HydrophobicContact CB-CD1 4.34Å; P64-L150 HydrophobicContact CB-CD2 3.81Å; P64-L150 HydrophobicContact CB-CG 3.83Å
65	P	93.1	Very high	96.1	Very high	99 Å²	99	63.6 Å²	63.6	64%	0.643	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	137	-179	-30.8	36.1	0	0	0	113.3	C67	P65-C67 PolarHBondContact O-N 2.81Å; P65-C67 VanDerWaalsContact O-N 3.09Å; P65-C67 PolarHBondContact O-SG 2.8Å
66	N	92	Very high	96	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	10.4	-176.7	-62.6	-28.1	0	0	0	115.6	P64 I83 L84 P87	P64-N66 PolarHBondContact O-N 3.48Å; N66-I83 WeakPolarHBondContact O-CA 3.41Å; N66-L84 HydrophobicContact CB-CB 4.06Å; N66-L84 PolarHBondContact O-N 3.08Å; N66-P87 WeakPolarHBondContact ND2-CD 3.41Å
67	C	96.4	Very high	96	Very high	13 Å²	13	65.2 Å²	65.2	9%	0.088	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153	-174.6	-58.8	0	0	0	0	112.7	P64 P65 T82 L149 C153	P64-C67 HydrophobicContact CB-CB 4.2Å; P64-C67 HydrophobicContact CG-CB 3.78Å; P64-C67 WeakPolarHBondContact O-CA 3.45Å; P64-C67 VanDerWaalsContact O-CB 3.29Å; P64-C67 WeakPolarHBondContact O-CB 3.49Å; P64-C67 PolarHBondContact O-N 3.36Å; P65-C67 PolarHBondContact O-N 2.81Å; P65-C67 VanDerWaalsContact O-N 3.09Å; P65-C67 PolarHBondContact O-SG 2.8Å; C67-T82 CarbonylContact C-O 3.33Å; C67-T82 WeakPolarHBondContact CA-O 3.38Å; C67-L149 HydrophobicContact CB-CB 4.46Å; C67-L149 HydrophobicContact CB-CD1 4.35Å; C67-C153 PolarHBondContact SG-SG 3.2Å
68	S	96.6	Very high	96.1	Very high	58 Å²	58	65.8 Å²	65.8	41%	0.406	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151	161.8	55.4	0	0	0	0	109.5	S81 T82	S68-S81 CarbonylContact O-C 3.56Å; S68-S81 WeakPolarHBondContact O-CA 3.25Å; S68-S81 WeakPolarHBondContact O-CB 3.14Å; S68-S81 PolarHBondContact O-OG 2.87Å; S68-T82 PolarHBondContact N-O 2.76Å; S68-T82 PolarHBondContact O-N 2.99Å
69	A	98	Very high	96.2	Very high	19 Å²	19	62.9 Å²	62.9	16%	0.157	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	152	169.5	0	0	0	0	0	112.4	I59 W79 R80 I100 I145 L149	I59-A69 HydrophobicContact CD1-CB 4.17Å; A69-W79 HydrophobicContact CB-CE3 3.86Å; A69-W79 HydrophobicContact CB-CZ3 4.22Å; A69-R80 VanDerWaalsContact CA-O 3.26Å; A69-R80 WeakPolarHBondContact CA-O 3.04Å; A69-I100 HydrophobicContact CB-CD1 4.36Å; A69-I145 HydrophobicContact CB-CG2 4.27Å; A69-L149 HydrophobicContact CB-CD1 3.95Å
70	G	97.8	Very high	96.2	Very high	17 Å²	17	68.3 Å²	68.3	18%	0.175	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	175	175.2	0	0	0	0	0	112.5	W79 R80	G70-W79 VanDerWaalsContact C-CG 3.46Å; G70-W79 CarbonylContact O-C 3.58Å; G70-W79 WeakPolarHBondContact O-CA 3.17Å; G70-W79 VanDerWaalsContact O-CB 3.25Å; G70-W79 WeakPolarHBondContact O-CB 3.05Å; G70-R80 PolarHBondContact N-O 2.69Å; G70-R80 PolarHBondContact O-N 2.77Å
71	P	97.9	Very high	96.4	Very high	47 Å²	47	63.3 Å²	63.3	31%	0.305	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	145.8	-179	-26.2	34.3	0	0	0	113.8	L56 G73 I76 E78	L56-P71 HydrophobicContact CD2-CG 3.77Å; P71-G73 VanDerWaalsContact CB-O 3.28Å; P71-G73 WeakPolarHBondContact CB-O 3.42Å; P71-G73 PolarHBondContact O-N 3.27Å; P71-I76 HydrophobicContact CG-CD1 3.9Å; P71-E78 CarbonylContact C-O 3.5Å; P71-E78 WeakPolarHBondContact CA-O 3.38Å
72	K	96.7	Very high	96.5	Very high	76 Å²	76	57.3 Å²	57.3	33%	0.33	32%	0.324	S	S	.	.	S	Bend	trans	-74.4	-12.7	173.3	-59.6	175.5	-155.8	171.4	0	113.2	E78 W79 R80 D99	K72-E78 HydrophobicContact CD-CB 4.14Å; K72-E78 PolarHBondContact N-O 3.35Å; K72-E78 IonicContact NZ-OE2 2.64Å; K72-E78 PolarHBondContact NZ-OE2 2.72Å; K72-W79 WeakPolarHBondContact CE-O 3.43Å; K72-R80 HydrophobicContact CG-CB 4.21Å; K72-D99 WeakPolarHBondContact CE-OD1 3.41Å; K72-D99 IonicContact NZ-OD1 2.82Å; K72-D99 PolarHBondContact NZ-OD1 2.64Å
73	G	96.3	Very high	96.6	Very high	45 Å²	45	51.3 Å²	51.3	46%	0.464	29%	0.292	S	S	.	.	S	Bend	trans	165.4	-152.9	-169.9	0	0	0	0	0	108.7	P71 N75	P71-G73 VanDerWaalsContact CB-O 3.28Å; P71-G73 WeakPolarHBondContact CB-O 3.42Å; P71-G73 PolarHBondContact O-N 3.27Å; G73-N75 PolarHBondContact O-N 2.89Å; G73-N75 VanDerWaalsContact O-N 3.14Å
74	D	95.2	Very high	96.8	Very high	179 Å²	179	51.9 Å²	51.9	96%	0.957	29%	0.291	S	S	*	.	S	Bend	trans	-65.4	-19.3	-172.4	-54	-41.4	0	0	0	114.9	I76	D74-I76 PolarHBondContact O-N 3.34Å; D74-I76 VanDerWaalsContact O-N 3.13Å
75	N	96	Very high	97	Very high	71 Å²	71	51.7 Å²	51.7	38%	0.38	29%	0.291	S	S	.	.			trans	-77.2	97.6	176.5	-174.4	8.1	0	0	0	111.6	G73 Y77 E78	G73-N75 PolarHBondContact O-N 2.89Å; G73-N75 VanDerWaalsContact O-N 3.14Å; N75-Y77 PolarHBondContact O-N 2.97Å; N75-Y77 WeakPolarHBondContact OD1-CB 3.21Å; N75-Y77 PolarHBondContact OD1-N 3.07Å; N75-E78 HydrophobicContact CB-CB 4.38Å; N75-E78 WeakPolarHBondContact ND2-CG 3.13Å; N75-E78 PolarHBondContact ND2-OE1 3.03Å; N75-E78 PolarHBondContact O-N 3.34Å
76	I	96.9	Very high	97.2	Very high	30 Å²	30	47.6 Å²	47.6	15%	0.154	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.3	176.4	-167.4	57	0	0	0	114.1	A49 I52 Q53 L56 P71 D74 E78 W79	A49-I76 HydrophobicContact CB-CG2 4.45Å; I52-I76 HydrophobicContact CB-CG1 4.26Å; I52-I76 HydrophobicContact CG2-CD1 3.98Å; I52-I76 HydrophobicContact CG2-CG1 3.82Å; I52-I76 WeakPolarHBondContact CG2-O 3.28Å; Q53-I76 HydrophobicContact CG-CD1 4.17Å; Q53-I76 HydrophobicContact CG-CG1 4.12Å; L56-I76 HydrophobicContact CD2-CD1 4.03Å; P71-I76 HydrophobicContact CG-CD1 3.9Å; D74-I76 PolarHBondContact O-N 3.34Å; D74-I76 VanDerWaalsContact O-N 3.13Å; I76-E78 VanDerWaalsContact C-N 3.35Å; I76-W79 VanDerWaalsContact O-CD1 3.3Å; I76-W79 PolarHBondContact O-NE1 2.7Å
77	Y	98.2	Very high	97.4	Very high	50 Å²	50	48.6 Å²	48.6	20%	0.196	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.4	177.6	-66.5	-94.2	0	0	0	113.9	S46 S48 A49 I52 N75 T101 F102	S46-Y77 PolarHBondContact OG-OH 3.07Å; S48-Y77 PolarHBondContact OG-OH 2.81Å; A49-Y77 HydrophobicContact CB-CE2 4.43Å; A49-Y77 PolarHBondContact N-OH 2.89Å; I52-Y77 HydrophobicContact CD1-CD1 3.71Å; I52-Y77 HydrophobicContact CD1-CE1 3.75Å; I52-Y77 HydrophobicContact CD1-CG 4.36Å; N75-Y77 PolarHBondContact O-N 2.97Å; N75-Y77 WeakPolarHBondContact OD1-CB 3.21Å; N75-Y77 PolarHBondContact OD1-N 3.07Å; Y77-T101 WeakPolarHBondContact O-CA 3.41Å; Y77-F102 HydrophobicContact CD1-CB 3.88Å; Y77-F102 WeakPolarHBondContact O-CD2 3.3Å; Y77-F102 PolarHBondContact O-N 3.12Å
78	E	98.5	Very high	97.4	Very high	73 Å²	73	51.4 Å²	51.4	34%	0.341	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.8	179.5	-83.8	-169.6	-106.3	0	0	111.9	P71 K72 N75 I76	P71-E78 CarbonylContact C-O 3.5Å; P71-E78 WeakPolarHBondContact CA-O 3.38Å; K72-E78 HydrophobicContact CD-CB 4.14Å; K72-E78 PolarHBondContact N-O 3.35Å; K72-E78 IonicContact NZ-OE2 2.64Å; K72-E78 PolarHBondContact NZ-OE2 2.72Å; N75-E78 HydrophobicContact CB-CB 4.38Å; N75-E78 WeakPolarHBondContact ND2-CG 3.13Å; N75-E78 PolarHBondContact ND2-OE1 3.03Å; N75-E78 PolarHBondContact O-N 3.34Å; I76-E78 VanDerWaalsContact C-N 3.35Å
79	W	98.6	Very high	97.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.4	-179.2	-73.4	28.9	0	0	0	111.5	I52 E55 L56 I59 A69 G70 K72 I76 I100 F102 I145	I52-W79 HydrophobicContact CG2-CZ2 3.49Å; I52-W79 VanDerWaalsContact CG2-CZ2 3.49Å; E55-W79 HydrophobicContact CB-CH2 4.45Å; L56-W79 HydrophobicContact CB-CH2 3.92Å; L56-W79 HydrophobicContact CB-CZ2 3.75Å; L56-W79 HydrophobicContact CD1-CH2 4.04Å; L56-W79 HydrophobicContact CD1-CZ2 4.06Å; L56-W79 HydrophobicContact CG-CZ2 4.37Å; I59-W79 HydrophobicContact CG2-CH2 4.3Å; I59-W79 HydrophobicContact CG2-CZ3 4.12Å; A69-W79 HydrophobicContact CB-CE3 3.86Å; A69-W79 HydrophobicContact CB-CZ3 4.22Å; G70-W79 VanDerWaalsContact C-CG 3.46Å; G70-W79 CarbonylContact O-C 3.58Å; G70-W79 WeakPolarHBondContact O-CA 3.17Å; G70-W79 VanDerWaalsContact O-CB 3.25Å; G70-W79 WeakPolarHBondContact O-CB 3.05Å; K72-W79 WeakPolarHBondContact CE-O 3.43Å; I76-W79 VanDerWaalsContact O-CD1 3.3Å; I76-W79 PolarHBondContact O-NE1 2.7Å; W79-I100 HydrophobicContact CB-CB 3.98Å; W79-I100 HydrophobicContact CB-CG2 4.33Å; W79-I100 PolarHBondContact N-O 3.11Å; W79-I100 PolarHBondContact O-N 3.05Å; W79-I100 VanDerWaalsContact O-O 3.13Å; W79-F102 HydrophobicContact CB-CE2 4.36Å; W79-F102 AromaticContact CD1-CE2 3.64Å; W79-F102 AromaticContact CD2-CE2 3.75Å; W79-F102 HydrophobicContact CD2-CE2 3.75Å; W79-F102 HydrophobicContact CD2-CZ 4.08Å; W79-F102 AromaticContact CE2-CE2 3.68Å; W79-F102 AromaticContact CE2-CZ 3.97Å; W79-F102 HydrophobicContact CE3-CE2 4.44Å; W79-F102 HydrophobicContact CE3-CZ 4.38Å; W79-F102 AromaticContact CG-CE2 3.72Å; W79-F102 HydrophobicContact CG-CE2 3.72Å; W79-F102 HydrophobicContact CG-CZ 4.49Å; W79-F102 HydrophobicContact CH2-CZ 4.48Å; W79-F102 HydrophobicContact CZ2-CE2 4.31Å; W79-F102 HydrophobicContact CZ2-CZ 4.17Å; W79-F102 AromaticContact NE1-CE2 3.59Å; W79-I145 HydrophobicContact CE3-CG2 4.42Å; W79-I145 HydrophobicContact CZ3-CB 4.37Å; W79-I145 HydrophobicContact CZ3-CG1 4.32Å; W79-I145 HydrophobicContact CZ3-CG2 4.16Å
80	R	98.4	Very high	97.5	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.8	161.6	-169.3	177.3	-59.3	169.5	8.8	108	A69 G70 K72 L98	A69-R80 VanDerWaalsContact CA-O 3.26Å; A69-R80 WeakPolarHBondContact CA-O 3.04Å; G70-R80 PolarHBondContact N-O 2.69Å; G70-R80 PolarHBondContact O-N 2.77Å; K72-R80 HydrophobicContact CG-CB 4.21Å; R80-L98 WeakPolarHBondContact CA-O 3.11Å
81	S	98.4	Very high	97.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.6	166.1	179.6	0	0	0	0	110.6	S68 F97 L98 L149	S68-S81 CarbonylContact O-C 3.56Å; S68-S81 WeakPolarHBondContact O-CA 3.25Å; S68-S81 WeakPolarHBondContact O-CB 3.14Å; S68-S81 PolarHBondContact O-OG 2.87Å; S81-F97 WeakPolarHBondContact O-CA 3.15Å; S81-L98 PolarHBondContact N-O 3.48Å; S81-L98 PolarHBondContact O-N 2.85Å; S81-L149 VanDerWaalsContact OG-CD2 3.26Å; S81-L149 WeakPolarHBondContact OG-CD2 3.42Å
82	T	98.3	Very high	97.5	Very high	31 Å²	31	51.9 Å²	51.9	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.2	168.3	-46.7	0	0	0	0	107.9	C67 S68 V95 F96 F97	C67-T82 CarbonylContact C-O 3.33Å; C67-T82 WeakPolarHBondContact CA-O 3.38Å; S68-T82 PolarHBondContact N-O 2.76Å; S68-T82 PolarHBondContact O-N 2.99Å; T82-V95 HydrophobicContact CG2-CG1 3.48Å; T82-V95 VanDerWaalsContact CG2-CG1 3.48Å; T82-F96 CarbonylContact C-O 3.56Å; T82-F96 WeakPolarHBondContact CA-O 3.31Å; T82-F97 HydrophobicContact CG2-CD1 4.06Å; T82-F97 HydrophobicContact CG2-CE1 3.84Å
83	I	98.2	Very high	97.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.1	171	-65.6	177.3	0	0	0	107.6	N66 F96 L98 L149 I152 C153 L156	N66-I83 WeakPolarHBondContact O-CA 3.41Å; I83-F96 PolarHBondContact N-O 3.3Å; I83-F96 PolarHBondContact O-N 3.47Å; I83-L98 HydrophobicContact CB-CD1 4.24Å; I83-L98 HydrophobicContact CD1-CD1 3.74Å; I83-L98 HydrophobicContact CD1-CD2 4.25Å; I83-L98 HydrophobicContact CG1-CD1 3.85Å; I83-L149 HydrophobicContact CD1-CD2 4.01Å; I83-L149 HydrophobicContact CG1-CD2 4.33Å; I83-I152 HydrophobicContact CD1-CB 4.16Å; I83-I152 HydrophobicContact CD1-CG2 3.6Å; I83-C153 VanDerWaalsContact CG2-SG 3.57Å; I83-L156 HydrophobicContact CG2-CD1 4.25Å
84	L	98	Very high	97.7	Very high	80 Å²	80	49 Å²	49	42%	0.419	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.9	164.8	-50.5	178.2	0	0	0	108.2	N66 G94 V95	N66-L84 HydrophobicContact CB-CB 4.06Å; N66-L84 PolarHBondContact O-N 3.08Å; L84-G94 CarbonylContact C-O 3.59Å; L84-G94 WeakPolarHBondContact CA-O 3.42Å; L84-V95 HydrophobicContact CD2-CG1 4.38Å; L84-V95 HydrophobicContact CD2-CG2 3.96Å
85	G	97.8	Very high	97.8	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59.2	132.9	-177.6	0	0	0	0	0	111.9	Y91 G94	G85-Y91 WeakPolarHBondContact CA-O 3.44Å; G85-G94 PolarHBondContact N-O 2.88Å
86	P	97.5	Very high	98	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.084	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-55.9	135.2	-173	-27.1	34	0	0	0	113.1	S89 L156	P86-S89 WeakPolarHBondContact O-CB 3.25Å; P86-S89 PolarHBondContact O-N 3.26Å; P86-S89 PolarHBondContact O-OG 2.77Å; P86-L156 HydrophobicContact CG-CB 4.13Å
87	P	96.5	Very high	98	Very high	92 Å²	92	42 Å²	42	60%	0.597	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	139.3	172.7	-26.4	35	0	0	0	112.1	N66 S89	N66-P87 WeakPolarHBondContact ND2-CD 3.41Å; P87-S89 PolarHBondContact O-N 2.94Å
88	G	95.9	Very high	98.1	Very high	73 Å²	73	39.6 Å²	39.6	75%	0.753	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	-10.4	-173.1	0	0	0	0	0	115	E92	G88-E92 PolarHBondContact N-OE2 3.31Å
89	S	97.4	Very high	98.1	Very high	19 Å²	19	37.3 Å²	37.3	13%	0.133	23%	0.226	C	C	.	.	S	Bend	trans	-85.2	166.2	177.1	80.2	0	0	0	0	112.6	P86 P87 Y91 E92	P86-S89 WeakPolarHBondContact O-CB 3.25Å; P86-S89 PolarHBondContact O-N 3.26Å; P86-S89 PolarHBondContact O-OG 2.77Å; P87-S89 PolarHBondContact O-N 2.94Å; S89-Y91 PolarHBondContact O-N 2.87Å; S89-Y91 VanDerWaalsContact O-N 3.1Å; S89-Y91 PolarHBondContact OG-N 3.03Å; S89-Y91 VanDerWaalsContact OG-N 3.1Å; S89-E92 WeakPolarHBondContact O-CB 3.45Å; S89-E92 PolarHBondContact O-N 3.26Å; S89-E92 PolarHBondContact OG-N 2.89Å
90	V	98.5	Very high	98.1	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.079	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-5.9	170.5	-63.2	0	0	0	0	114.1	D181 A184 R185 T188	V90-D181 HydrophobicContact CG1-CB 3.55Å; V90-A184 HydrophobicContact CB-CB 3.68Å; V90-A184 HydrophobicContact CG1-CB 4.36Å; V90-A184 HydrophobicContact CG2-CB 3.51Å; V90-R185 HydrophobicContact CB-CG 4.06Å; V90-R185 HydrophobicContact CG1-CG 4.42Å; V90-R185 WeakPolarHBondContact O-CG 3.41Å; V90-T188 PolarHBondContact O-OG1 3.15Å
91	Y	98.7	Very high	98.1	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.02	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-4.2	179.3	-50.4	-64.3	0	0	0	113	G85 S89 G93 G94 F96 I119 Y120 H121 L156 A184 T188	G85-Y91 WeakPolarHBondContact CA-O 3.44Å; S89-Y91 PolarHBondContact O-N 2.87Å; S89-Y91 VanDerWaalsContact O-N 3.1Å; S89-Y91 PolarHBondContact OG-N 3.03Å; S89-Y91 VanDerWaalsContact OG-N 3.1Å; Y91-G93 PolarHBondContact O-N 3.07Å; Y91-G94 PolarHBondContact O-N 3.43Å; Y91-F96 HydrophobicContact CD1-CZ 4.03Å; Y91-F96 HydrophobicContact CG-CZ 4.3Å; Y91-I119 HydrophobicContact CD1-CD1 3.8Å; Y91-I119 HydrophobicContact CD1-CG1 3.87Å; Y91-I119 HydrophobicContact CE1-CD1 3.72Å; Y91-I119 HydrophobicContact CE1-CG1 3.52Å; Y91-I119 HydrophobicContact CG-CD1 4.34Å; Y91-Y120 PolarHBondContact OH-O 2.87Å; Y91-H121 AromaticContact CE2-CD2 3.99Å; Y91-H121 AromaticContact CZ-CD2 3.83Å; Y91-H121 PolarHBondContact OH-CD2 3.13Å; Y91-H121 VanDerWaalsContact OH-CD2 3.26Å; Y91-L156 HydrophobicContact CD2-CB 3.95Å; Y91-L156 HydrophobicContact CD2-CD2 4.27Å; Y91-L156 VanDerWaalsContact CD2-O 3.25Å; Y91-L156 WeakPolarHBondContact CD2-O 3.43Å; Y91-L156 HydrophobicContact CE2-CB 4.25Å; Y91-L156 HydrophobicContact CE2-CD2 4.16Å; Y91-L156 WeakPolarHBondContact CE2-O 3.38Å; Y91-A184 HydrophobicContact CE1-CB 4.25Å; Y91-T188 WeakPolarHBondContact O-CG2 3.42Å
92	E	98.1	Very high	98.1	Very high	113 Å²	113	34.7 Å²	34.7	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	137.2	-179.3	-175.9	173.6	174	0	0	112.4	G88 S89 G94	G88-E92 PolarHBondContact N-OE2 3.31Å; S89-E92 WeakPolarHBondContact O-CB 3.45Å; S89-E92 PolarHBondContact O-N 3.26Å; S89-E92 PolarHBondContact OG-N 2.89Å; E92-G94 PolarHBondContact O-N 2.89Å
93	G	97.6	Very high	98	Very high	60 Å²	60	35.2 Å²	35.2	62%	0.619	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-13.4	-174.6	0	0	0	0	0	114.9	Y91	Y91-G93 PolarHBondContact O-N 3.07Å
94	G	98.3	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.254	C	S	.	.			trans	-78	146.2	176.2	0	0	0	0	0	114	L84 G85 Y91 E92 A192	L84-G94 CarbonylContact C-O 3.59Å; L84-G94 WeakPolarHBondContact CA-O 3.42Å; G85-G94 PolarHBondContact N-O 2.88Å; Y91-G94 PolarHBondContact O-N 3.43Å; E92-G94 PolarHBondContact O-N 2.89Å; G94-A192 CarbonylContact C-O 3.54Å; G94-A192 WeakPolarHBondContact CA-O 3.4Å
95	V	98.6	Very high	97.9	Very high	50 Å²	50	39.5 Å²	39.5	30%	0.303	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.6	175.6	-174.5	0	0	0	0	109.1	T82 L84 F97 A192	T82-V95 HydrophobicContact CG2-CG1 3.48Å; T82-V95 VanDerWaalsContact CG2-CG1 3.48Å; L84-V95 HydrophobicContact CD2-CG1 4.38Å; L84-V95 HydrophobicContact CD2-CG2 3.96Å; V95-F97 HydrophobicContact CG1-CE1 4.19Å; V95-F97 HydrophobicContact CG1-CE2 4.31Å; V95-F97 HydrophobicContact CG1-CZ 3.88Å; V95-A192 PolarHBondContact N-O 3.35Å
96	F	98.7	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117	-175.1	-59.8	-88	0	0	0	110.5	T82 I83 Y91 L98 F115 T117 I119 T188 A192	T82-F96 CarbonylContact C-O 3.56Å; T82-F96 WeakPolarHBondContact CA-O 3.31Å; I83-F96 PolarHBondContact N-O 3.3Å; I83-F96 PolarHBondContact O-N 3.47Å; Y91-F96 HydrophobicContact CD1-CZ 4.03Å; Y91-F96 HydrophobicContact CG-CZ 4.3Å; F96-L98 WeakPolarHBondContact O-CD1 3.44Å; F96-F115 HydrophobicContact CB-CD1 4.27Å; F96-F115 HydrophobicContact CB-CE1 3.87Å; F96-F115 HydrophobicContact CD1-CD1 4.36Å; F96-F115 HydrophobicContact CD1-CE1 4.12Å; F96-F115 HydrophobicContact CG-CE1 4.2Å; F96-T117 HydrophobicContact CD1-CG2 3.57Å; F96-T117 HydrophobicContact CE1-CG2 4.06Å; F96-T117 HydrophobicContact CG-CG2 4.36Å; F96-I119 HydrophobicContact CD1-CB 4.39Å; F96-I119 HydrophobicContact CD1-CD1 3.94Å; F96-I119 HydrophobicContact CD1-CG1 4.36Å; F96-I119 HydrophobicContact CE1-CB 4.11Å; F96-I119 HydrophobicContact CE1-CD1 3.65Å; F96-I119 HydrophobicContact CE1-CG1 3.79Å; F96-I119 HydrophobicContact CZ-CD1 4.21Å; F96-I119 HydrophobicContact CZ-CG1 4.5Å; F96-T188 HydrophobicContact CZ-CG2 4.22Å; F96-A192 HydrophobicContact CD1-CB 4.13Å; F96-A192 HydrophobicContact CE1-CB 3.66Å; F96-A192 HydrophobicContact CE2-CB 4.19Å; F96-A192 HydrophobicContact CZ-CB 3.69Å
97	F	98.5	Very high	97.9	Very high	83 Å²	83	39.2 Å²	39.2	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.3	173.9	-60.7	-66.5	0	0	0	110.6	S81 T82 V95 R116 T117	S81-F97 WeakPolarHBondContact O-CA 3.15Å; T82-F97 HydrophobicContact CG2-CD1 4.06Å; T82-F97 HydrophobicContact CG2-CE1 3.84Å; V95-F97 HydrophobicContact CG1-CE1 4.19Å; V95-F97 HydrophobicContact CG1-CE2 4.31Å; V95-F97 HydrophobicContact CG1-CZ 3.88Å; F97-R116 HydrophobicContact CB-CB 4.2Å; F97-R116 WeakPolarHBondContact O-CB 3.33Å; F97-R116 PolarHBondContact O-N 2.88Å; F97-T117 PolarHBondContact N-OG1 3.47Å; F97-T117 PolarHBondContact O-N 2.85Å
98	L	98.7	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.9	174.9	-60.4	84.7	0	0	0	109.8	R80 S81 I83 F96 V113 T114 F115 I130 I152	R80-L98 WeakPolarHBondContact CA-O 3.11Å; S81-L98 PolarHBondContact N-O 3.48Å; S81-L98 PolarHBondContact O-N 2.85Å; I83-L98 HydrophobicContact CB-CD1 4.24Å; I83-L98 HydrophobicContact CD1-CD1 3.74Å; I83-L98 HydrophobicContact CD1-CD2 4.25Å; I83-L98 HydrophobicContact CG1-CD1 3.85Å; F96-L98 WeakPolarHBondContact O-CD1 3.44Å; L98-V113 HydrophobicContact CB-CG1 4.49Å; L98-V113 HydrophobicContact CD2-CG1 3.79Å; L98-T114 CarbonylContact C-O 3.52Å; L98-T114 VanDerWaalsContact CA-O 3.31Å; L98-T114 WeakPolarHBondContact CA-O 3.47Å; L98-F115 HydrophobicContact CD1-CE1 4.37Å; L98-F115 HydrophobicContact CD1-CZ 4.46Å; L98-F115 HydrophobicContact CD2-CD2 3.81Å; L98-F115 HydrophobicContact CD2-CE2 3.64Å; L98-F115 HydrophobicContact CD2-CG 4.36Å; L98-F115 HydrophobicContact CD2-CZ 4.06Å; L98-F115 HydrophobicContact CG-CD1 4.34Å; L98-F115 HydrophobicContact CG-CD2 4.13Å; L98-F115 HydrophobicContact CG-CE1 4.46Å; L98-F115 HydrophobicContact CG-CE2 4.25Å; L98-F115 HydrophobicContact CG-CG 4.17Å; L98-F115 HydrophobicContact CG-CZ 4.41Å; L98-I130 HydrophobicContact CD2-CD1 4.32Å; L98-I152 HydrophobicContact CD2-CD1 4.03Å; L98-I152 HydrophobicContact CD2-CG2 4.43Å
99	D	98.5	Very high	98	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.6	162.9	-79.7	-56.4	0	0	0	109.3	K72 V113 T114 R116	K72-D99 WeakPolarHBondContact CE-OD1 3.41Å; K72-D99 IonicContact NZ-OD1 2.82Å; K72-D99 PolarHBondContact NZ-OD1 2.64Å; D99-V113 WeakPolarHBondContact O-CA 3.35Å; D99-T114 PolarHBondContact N-O 2.96Å; D99-T114 PolarHBondContact O-N 3.32Å; D99-R116 HydrophobicContact CB-CG 4.43Å; D99-R116 VanDerWaalsContact CG-NH1 3.3Å; D99-R116 IonicContact OD1-NH1 2.7Å; D99-R116 PolarHBondContact OD1-NH1 3.07Å; D99-R116 VanDerWaalsContact OD1-NH1 3.09Å; D99-R116 WeakPolarHBondContact OD2-CD 3.5Å; D99-R116 WeakPolarHBondContact OD2-CG 3.34Å; D99-R116 IonicContact OD2-CZ 2.93Å; D99-R116 IonicContact OD2-NE 3.09Å; D99-R116 IonicContact OD2-NH1 3.45Å; D99-R116 PolarHBondContact OD2-NH1 3.08Å
100	I	98.7	Very high	98	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130	175.1	-62.7	171.6	0	0	0	107.6	A69 W79 F102 P111 K112 V113 I145 L149	A69-I100 HydrophobicContact CB-CD1 4.36Å; W79-I100 HydrophobicContact CB-CB 3.98Å; W79-I100 HydrophobicContact CB-CG2 4.33Å; W79-I100 PolarHBondContact N-O 3.11Å; W79-I100 PolarHBondContact O-N 3.05Å; W79-I100 VanDerWaalsContact O-O 3.13Å; I100-F102 HydrophobicContact CG2-CD2 4.43Å; I100-F102 HydrophobicContact CG2-CE2 3.99Å; I100-F102 HydrophobicContact CG2-CZ 4.2Å; I100-P111 HydrophobicContact CG2-CB 4.24Å; I100-K112 CarbonylContact C-O 3.56Å; I100-K112 WeakPolarHBondContact CA-O 3.48Å; I100-V113 HydrophobicContact CG1-CG1 4.07Å; I100-V113 HydrophobicContact CG1-CG2 4.13Å; I100-V113 HydrophobicContact CG2-CG2 4.48Å; I100-I145 HydrophobicContact CD1-CG2 4Å; I100-I145 HydrophobicContact CG2-CD1 3.9Å; I100-L149 HydrophobicContact CD1-CD2 4.47Å
101	T	98.5	Very high	98	Very high	57 Å²	57	44.1 Å²	44.1	35%	0.35	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.2	177.2	-54.8	0	0	0	0	110.4	Y77 P111 K112	Y77-T101 WeakPolarHBondContact O-CA 3.41Å; T101-P111 CarbonylContact O-C 3.59Å; T101-P111 WeakPolarHBondContact O-CA 3.33Å; T101-K112 PolarHBondContact N-O 3.19Å; T101-K112 PolarHBondContact O-N 2.92Å
102	F	98.4	Very high	98	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.031	27%	0.269	C	S	.	.			trans	-89.8	146.4	176.3	-57.7	-94.7	0	0	0	110.6	I52 Y77 W79 I100 Y106 P111 I145	I52-F102 HydrophobicContact CD1-CB 3.61Å; I52-F102 HydrophobicContact CD1-CD1 3.92Å; I52-F102 HydrophobicContact CD1-CD2 4.04Å; I52-F102 HydrophobicContact CD1-CG 3.61Å; I52-F102 HydrophobicContact CG1-CB 4.44Å; I52-F102 HydrophobicContact CG1-CD1 3.79Å; I52-F102 HydrophobicContact CG1-CD2 4.35Å; I52-F102 HydrophobicContact CG1-CE1 3.95Å; I52-F102 HydrophobicContact CG1-CG 3.97Å; I52-F102 HydrophobicContact CG1-CZ 4.3Å; I52-F102 HydrophobicContact CG2-CD2 4.2Å; I52-F102 HydrophobicContact CG2-CE1 4.35Å; I52-F102 HydrophobicContact CG2-CE2 3.81Å; I52-F102 HydrophobicContact CG2-CZ 3.85Å; Y77-F102 HydrophobicContact CD1-CB 3.88Å; Y77-F102 WeakPolarHBondContact O-CD2 3.3Å; Y77-F102 PolarHBondContact O-N 3.12Å; W79-F102 HydrophobicContact CB-CE2 4.36Å; W79-F102 AromaticContact CD1-CE2 3.64Å; W79-F102 AromaticContact CD2-CE2 3.75Å; W79-F102 HydrophobicContact CD2-CE2 3.75Å; W79-F102 HydrophobicContact CD2-CZ 4.08Å; W79-F102 AromaticContact CE2-CE2 3.68Å; W79-F102 AromaticContact CE2-CZ 3.97Å; W79-F102 HydrophobicContact CE3-CE2 4.44Å; W79-F102 HydrophobicContact CE3-CZ 4.38Å; W79-F102 AromaticContact CG-CE2 3.72Å; W79-F102 HydrophobicContact CG-CE2 3.72Å; W79-F102 HydrophobicContact CG-CZ 4.49Å; W79-F102 HydrophobicContact CH2-CZ 4.48Å; W79-F102 HydrophobicContact CZ2-CE2 4.31Å; W79-F102 HydrophobicContact CZ2-CZ 4.17Å; W79-F102 AromaticContact NE1-CE2 3.59Å; I100-F102 HydrophobicContact CG2-CD2 4.43Å; I100-F102 HydrophobicContact CG2-CE2 3.99Å; I100-F102 HydrophobicContact CG2-CZ 4.2Å; F102-Y106 HydrophobicContact CB-CG 4.49Å; F102-Y106 AromaticContact CD1-CD1 3.71Å; F102-Y106 HydrophobicContact CD1-CD1 3.71Å; F102-Y106 AromaticContact CD1-CD2 3.7Å; F102-Y106 HydrophobicContact CD1-CD2 3.7Å; F102-Y106 AromaticContact CD1-CE1 3.79Å; F102-Y106 HydrophobicContact CD1-CE1 3.79Å; F102-Y106 AromaticContact CD1-CE2 3.78Å; F102-Y106 HydrophobicContact CD1-CE2 3.78Å; F102-Y106 AromaticContact CD1-CG 3.66Å; F102-Y106 HydrophobicContact CD1-CG 3.66Å; F102-Y106 AromaticContact CD1-CZ 3.83Å; F102-Y106 HydrophobicContact CE1-CD1 4.12Å; F102-Y106 HydrophobicContact CE1-CD2 4.38Å; F102-Y106 AromaticContact CE1-CE1 3.72Å; F102-Y106 HydrophobicContact CE1-CE1 3.72Å; F102-Y106 HydrophobicContact CE1-CE2 4.02Å; F102-Y106 HydrophobicContact CE1-CG 4.43Å; F102-Y106 AromaticContact CE1-CZ 3.67Å; F102-P111 HydrophobicContact CD1-CB 4.16Å; F102-P111 HydrophobicContact CE1-CB 4.45Å; F102-I145 HydrophobicContact CE1-CD1 3.7Å; F102-I145 HydrophobicContact CE1-CG1 3.73Å; F102-I145 HydrophobicContact CZ-CD1 3.77Å; F102-I145 HydrophobicContact CZ-CG1 3.55Å
103	T	97.3	Very high	98	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.258	25%	0.246	S	C	.	.			trans	-86.7	158.7	169.1	53	0	0	0	0	110.8	E105 Y106	T103-E105 PolarHBondContact O-N 2.89Å; T103-E105 VanDerWaalsContact O-N 3.15Å; T103-Y106 VanDerWaalsContact O-CB 3.32Å; T103-Y106 WeakPolarHBondContact O-CB 3.23Å; T103-Y106 PolarHBondContact O-N 3.35Å
104	P	97	Very high	98.1	Very high	92 Å²	92	44.1 Å²	44.1	60%	0.597	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.3	171.3	-22.7	32.7	0	0	0	113.4	S48	S48-P104 WeakPolarHBondContact CB-O 3.16Å; S48-P104 PolarHBondContact OG-O 2.91Å
105	E	97	Very high	98.1	Very high	78 Å²	78	44.6 Å²	44.6	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2	176.7	-54.4	84.9	-94.2	0	0	114.8	T103 F108 K109	T103-E105 PolarHBondContact O-N 2.89Å; T103-E105 VanDerWaalsContact O-N 3.15Å; E105-F108 WeakPolarHBondContact O-CB 3.44Å; E105-F108 WeakPolarHBondContact O-CD2 3.23Å; E105-F108 PolarHBondContact O-N 3.08Å; E105-K109 HydrophobicContact CB-CD 4.11Å; E105-K109 HydrophobicContact CB-CG 4.16Å; E105-K109 HydrophobicContact CG-CD 4.36Å; E105-K109 WeakPolarHBondContact OE2-CD 3.26Å; E105-K109 VanDerWaalsContact OE2-CE 3.24Å; E105-K109 WeakPolarHBondContact OE2-CE 3.3Å; E105-K109 IonicContact OE2-NZ 2.66Å; E105-K109 PolarHBondContact OE2-NZ 3.44Å
106	Y	98	Very high	98.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	132.5	178.1	-169.9	-100.3	0	0	0	111.5	S48 R51 I52 E55 F102 T103 K109 P111 W139	S48-Y106 VanDerWaalsContact CA-O 3.25Å; S48-Y106 WeakPolarHBondContact CA-O 3.37Å; S48-Y106 WeakPolarHBondContact CB-O 3.48Å; R51-Y106 HydrophobicContact CG-CD1 3.94Å; R51-Y106 HydrophobicContact CG-CE1 3.83Å; I52-Y106 HydrophobicContact CD1-CD1 4.29Å; I52-Y106 HydrophobicContact CG1-CD1 3.67Å; I52-Y106 HydrophobicContact CG1-CE1 4.1Å; E55-Y106 WeakPolarHBondContact OE1-CE1 3.21Å; E55-Y106 PolarHBondContact OE1-OH 2.8Å; E55-Y106 PolarHBondContact OE2-OH 3.37Å; F102-Y106 HydrophobicContact CB-CG 4.49Å; F102-Y106 AromaticContact CD1-CD1 3.71Å; F102-Y106 HydrophobicContact CD1-CD1 3.71Å; F102-Y106 AromaticContact CD1-CD2 3.7Å; F102-Y106 HydrophobicContact CD1-CD2 3.7Å; F102-Y106 AromaticContact CD1-CE1 3.79Å; F102-Y106 HydrophobicContact CD1-CE1 3.79Å; F102-Y106 AromaticContact CD1-CE2 3.78Å; F102-Y106 HydrophobicContact CD1-CE2 3.78Å; F102-Y106 AromaticContact CD1-CG 3.66Å; F102-Y106 HydrophobicContact CD1-CG 3.66Å; F102-Y106 AromaticContact CD1-CZ 3.83Å; F102-Y106 HydrophobicContact CE1-CD1 4.12Å; F102-Y106 HydrophobicContact CE1-CD2 4.38Å; F102-Y106 AromaticContact CE1-CE1 3.72Å; F102-Y106 HydrophobicContact CE1-CE1 3.72Å; F102-Y106 HydrophobicContact CE1-CE2 4.02Å; F102-Y106 HydrophobicContact CE1-CG 4.43Å; F102-Y106 AromaticContact CE1-CZ 3.67Å; T103-Y106 VanDerWaalsContact O-CB 3.32Å; T103-Y106 WeakPolarHBondContact O-CB 3.23Å; T103-Y106 PolarHBondContact O-N 3.35Å; Y106-K109 WeakPolarHBondContact CD2-O 3.46Å; Y106-P111 HydrophobicContact CE2-CB 4.4Å; Y106-P111 HydrophobicContact CE2-CG 4.31Å; Y106-W139 HydrophobicContact CD2-CZ2 4.29Å; Y106-W139 AromaticContact CE2-CH2 3.63Å; Y106-W139 HydrophobicContact CE2-CH2 3.63Å; Y106-W139 AromaticContact CE2-CZ2 3.55Å; Y106-W139 HydrophobicContact CE2-CZ2 3.55Å
107	P	97.6	Very high	98.1	Very high	12 Å²	12	49.6 Å²	49.6	8%	0.078	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.4	15.7	14.9	39.6	-36.4	0	0	0	114.9	R51 K109 W139 P141	R51-P107 HydrophobicContact CG-CB 4.27Å; R51-P107 HydrophobicContact CG-CG 4.16Å; P107-K109 VanDerWaalsContact C-N 3.33Å; P107-W139 HydrophobicContact CB-CZ2 4.42Å; P107-W139 PolarHBondContact O-NE1 3.07Å; P107-P141 HydrophobicContact CB-CB 4.31Å; P107-P141 HydrophobicContact CG-CB 4.19Å; P107-P141 WeakPolarHBondContact O-CA 3.35Å
108	F	97.3	Very high	98	Very high	156 Å²	156	53.2 Å²	53.2	68%	0.684	25%	0.253	S	S	*	.	S	Bend	trans	-80.9	-12.3	-178.4	-58	-75.8	0	0	0	113.9	E105 P141	E105-F108 WeakPolarHBondContact O-CB 3.44Å; E105-F108 WeakPolarHBondContact O-CD2 3.23Å; E105-F108 PolarHBondContact O-N 3.08Å; F108-P141 HydrophobicContact CD1-CG 4.05Å
109	K	97.2	Very high	98	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	26%	0.257	S	S	.	.	S	Bend	trans	-122.3	150.8	166.2	-68.2	-176.5	-176.1	173.1	0	109.8	E105 Y106 P107	E105-K109 HydrophobicContact CB-CD 4.11Å; E105-K109 HydrophobicContact CB-CG 4.16Å; E105-K109 HydrophobicContact CG-CD 4.36Å; E105-K109 WeakPolarHBondContact OE2-CD 3.26Å; E105-K109 VanDerWaalsContact OE2-CE 3.24Å; E105-K109 WeakPolarHBondContact OE2-CE 3.3Å; E105-K109 IonicContact OE2-NZ 2.66Å; E105-K109 PolarHBondContact OE2-NZ 3.44Å; Y106-K109 WeakPolarHBondContact CD2-O 3.46Å; P107-K109 VanDerWaalsContact C-N 3.33Å
110	P	97.7	Very high	98	Very high	38 Å²	38	53.9 Å²	53.9	25%	0.247	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.3	154.7	174.7	23.8	-31.9	0	0	0	112.2	W139	P110-W139 VanDerWaalsContact CA-CD2 3.48Å; P110-W139 HydrophobicContact CB-CB 3.93Å; P110-W139 HydrophobicContact CB-CD2 3.69Å; P110-W139 HydrophobicContact CB-CE3 3.87Å; P110-W139 HydrophobicContact CB-CG 3.68Å; P110-W139 HydrophobicContact CG-CB 4.1Å; P110-W139 HydrophobicContact CG-CG 4.13Å
111	P	98.3	Very high	98	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.019	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-74.3	141	166.7	32.8	-29.3	0	0	0	109	I100 T101 F102 Y106 V113 L135 W139 I145	I100-P111 HydrophobicContact CG2-CB 4.24Å; T101-P111 CarbonylContact O-C 3.59Å; T101-P111 WeakPolarHBondContact O-CA 3.33Å; F102-P111 HydrophobicContact CD1-CB 4.16Å; F102-P111 HydrophobicContact CE1-CB 4.45Å; Y106-P111 HydrophobicContact CE2-CB 4.4Å; Y106-P111 HydrophobicContact CE2-CG 4.31Å; P111-V113 HydrophobicContact CB-CG2 4.42Å; P111-V113 HydrophobicContact CG-CG2 4.19Å; P111-V113 PolarHBondContact O-N 3.43Å; P111-L135 HydrophobicContact CG-CD2 4.46Å; P111-W139 HydrophobicContact CG-CZ3 4.38Å; P111-I145 HydrophobicContact CB-CD1 4.11Å; P111-I145 HydrophobicContact CG-CD1 3.77Å
112	K	98.3	Very high	98	Very high	142 Å²	142	51.1 Å²	51.1	62%	0.617	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74	118.6	168.8	-179.9	-178.9	176.6	-177.3	0	108.1	I100 T101	I100-K112 CarbonylContact C-O 3.56Å; I100-K112 WeakPolarHBondContact CA-O 3.48Å; T101-K112 PolarHBondContact N-O 3.19Å; T101-K112 PolarHBondContact O-N 2.92Å
113	V	98.6	Very high	98	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.8	176.9	-172.7	0	0	0	0	109.6	L98 D99 I100 P111 I130 L135 V148 I152	L98-V113 HydrophobicContact CB-CG1 4.49Å; L98-V113 HydrophobicContact CD2-CG1 3.79Å; D99-V113 WeakPolarHBondContact O-CA 3.35Å; I100-V113 HydrophobicContact CG1-CG1 4.07Å; I100-V113 HydrophobicContact CG1-CG2 4.13Å; I100-V113 HydrophobicContact CG2-CG2 4.48Å; P111-V113 HydrophobicContact CB-CG2 4.42Å; P111-V113 HydrophobicContact CG-CG2 4.19Å; P111-V113 PolarHBondContact O-N 3.43Å; V113-I130 HydrophobicContact CB-CD1 4.4Å; V113-I130 HydrophobicContact CG1-CD1 4Å; V113-L135 HydrophobicContact CB-CD1 4.02Å; V113-L135 HydrophobicContact CG2-CD1 4.38Å; V113-L135 HydrophobicContact CG2-CD2 4.03Å; V113-V148 HydrophobicContact CG2-CG1 4.15Å; V113-I152 HydrophobicContact CG1-CD1 3.88Å
114	T	98.5	Very high	98.1	Very high	28 Å²	28	49 Å²	49	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.9	-180	48.4	0	0	0	0	112	L98 D99 G128	L98-T114 CarbonylContact C-O 3.52Å; L98-T114 VanDerWaalsContact CA-O 3.31Å; L98-T114 WeakPolarHBondContact CA-O 3.47Å; D99-T114 PolarHBondContact N-O 2.96Å; D99-T114 PolarHBondContact O-N 3.32Å; T114-G128 CarbonylContact C-O 3.58Å; T114-G128 VanDerWaalsContact CA-O 3.25Å; T114-G128 WeakPolarHBondContact CA-O 3.49Å
115	F	98.6	Very high	98.1	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.044	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.4	171.8	-82.9	-109.5	0	0	0	111.4	F96 L98 I119 I124 G128 I130 I152 L156	F96-F115 HydrophobicContact CB-CD1 4.27Å; F96-F115 HydrophobicContact CB-CE1 3.87Å; F96-F115 HydrophobicContact CD1-CD1 4.36Å; F96-F115 HydrophobicContact CD1-CE1 4.12Å; F96-F115 HydrophobicContact CG-CE1 4.2Å; L98-F115 HydrophobicContact CD1-CE1 4.37Å; L98-F115 HydrophobicContact CD1-CZ 4.46Å; L98-F115 HydrophobicContact CD2-CD2 3.81Å; L98-F115 HydrophobicContact CD2-CE2 3.64Å; L98-F115 HydrophobicContact CD2-CG 4.36Å; L98-F115 HydrophobicContact CD2-CZ 4.06Å; L98-F115 HydrophobicContact CG-CD1 4.34Å; L98-F115 HydrophobicContact CG-CD2 4.13Å; L98-F115 HydrophobicContact CG-CE1 4.46Å; L98-F115 HydrophobicContact CG-CE2 4.25Å; L98-F115 HydrophobicContact CG-CG 4.17Å; L98-F115 HydrophobicContact CG-CZ 4.41Å; F115-I119 HydrophobicContact CD1-CG2 4.2Å; F115-I119 HydrophobicContact CE1-CD1 4.04Å; F115-I124 HydrophobicContact CB-CG2 4.4Å; F115-I124 HydrophobicContact CD2-CD1 3.96Å; F115-I124 HydrophobicContact CD2-CG2 4.15Å; F115-I124 HydrophobicContact CE1-CD1 4.35Å; F115-I124 HydrophobicContact CE2-CD1 3.55Å; F115-I124 HydrophobicContact CE2-CG1 4.45Å; F115-I124 HydrophobicContact CG-CG2 4.34Å; F115-I124 HydrophobicContact CZ-CD1 3.77Å; F115-G128 PolarHBondContact N-O 2.87Å; F115-G128 WeakPolarHBondContact O-CA 3.24Å; F115-I130 HydrophobicContact CD2-CD1 3.75Å; F115-I130 HydrophobicContact CD2-CG1 3.81Å; F115-I130 HydrophobicContact CE2-CD1 3.69Å; F115-I130 HydrophobicContact CE2-CG1 4.02Å; F115-I152 HydrophobicContact CE2-CG2 3.89Å; F115-I152 HydrophobicContact CZ-CG2 3.83Å; F115-L156 HydrophobicContact CZ-CD1 4.38Å; F115-L156 HydrophobicContact CZ-CD2 4.27Å
116	R	98.1	Very high	98.1	Very high	140 Å²	140	48.3 Å²	48.3	53%	0.528	23%	0.228	S	C	.	.	S	Bend	trans	-90.9	-40.6	165.9	-57.4	178.6	68	107.4	1	110.8	F97 D99	F97-R116 HydrophobicContact CB-CB 4.2Å; F97-R116 WeakPolarHBondContact O-CB 3.33Å; F97-R116 PolarHBondContact O-N 2.88Å; D99-R116 HydrophobicContact CB-CG 4.43Å; D99-R116 VanDerWaalsContact CG-NH1 3.3Å; D99-R116 IonicContact OD1-NH1 2.7Å; D99-R116 PolarHBondContact OD1-NH1 3.07Å; D99-R116 VanDerWaalsContact OD1-NH1 3.09Å; D99-R116 WeakPolarHBondContact OD2-CD 3.5Å; D99-R116 WeakPolarHBondContact OD2-CG 3.34Å; D99-R116 IonicContact OD2-CZ 2.93Å; D99-R116 IonicContact OD2-NE 3.09Å; D99-R116 IonicContact OD2-NH1 3.45Å; D99-R116 PolarHBondContact OD2-NH1 3.08Å
117	T	98.4	Very high	98.1	Very high	15 Å²	15	55.3 Å²	55.3	9%	0.092	26%	0.261	C	S	.	.	S	Bend	trans	-70.2	131.5	175	-63.8	0	0	0	0	109.8	F96 F97 Y191 A192	F96-T117 HydrophobicContact CD1-CG2 3.57Å; F96-T117 HydrophobicContact CE1-CG2 4.06Å; F96-T117 HydrophobicContact CG-CG2 4.36Å; F97-T117 PolarHBondContact N-OG1 3.47Å; F97-T117 PolarHBondContact O-N 2.85Å; T117-Y191 WeakPolarHBondContact CG2-O 3.39Å; T117-A192 HydrophobicContact CG2-CB 3.76Å
118	R	98.4	Very high	98.1	Very high	158 Å²	158	55 Å²	55	60%	0.596	26%	0.26	S	S	*	.			trans	-69.2	132.8	175.8	-66.1	-179	179	-178.7	-0.2	110	W187 Y191	R118-W187 HydrophobicContact CB-CE3 4.41Å; R118-W187 HydrophobicContact CB-CZ3 4.27Å; R118-Y191 HydrophobicContact CB-CD1 4.43Å; R118-Y191 HydrophobicContact CB-CD2 3.96Å; R118-Y191 HydrophobicContact CB-CG 3.89Å
119	I	98.7	Very high	98.1	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.077	25%	0.246	C	C	.	.			trans	-135.4	150.2	-178.3	-165.9	170.2	0	0	0	110	Y91 F96 F115 H121 I124 L156	Y91-I119 HydrophobicContact CD1-CD1 3.8Å; Y91-I119 HydrophobicContact CD1-CG1 3.87Å; Y91-I119 HydrophobicContact CE1-CD1 3.72Å; Y91-I119 HydrophobicContact CE1-CG1 3.52Å; Y91-I119 HydrophobicContact CG-CD1 4.34Å; F96-I119 HydrophobicContact CD1-CB 4.39Å; F96-I119 HydrophobicContact CD1-CD1 3.94Å; F96-I119 HydrophobicContact CD1-CG1 4.36Å; F96-I119 HydrophobicContact CE1-CB 4.11Å; F96-I119 HydrophobicContact CE1-CD1 3.65Å; F96-I119 HydrophobicContact CE1-CG1 3.79Å; F96-I119 HydrophobicContact CZ-CD1 4.21Å; F96-I119 HydrophobicContact CZ-CG1 4.5Å; F115-I119 HydrophobicContact CD1-CG2 4.2Å; F115-I119 HydrophobicContact CE1-CD1 4.04Å; I119-H121 HydrophobicContact CG1-CB 4.29Å; I119-H121 HydrophobicContact CG2-CB 4.28Å; I119-I124 HydrophobicContact CD1-CD1 4.34Å; I119-I124 HydrophobicContact CG2-CB 3.94Å; I119-I124 HydrophobicContact CG2-CD1 3.8Å; I119-I124 HydrophobicContact CG2-CG1 4.48Å; I119-I124 HydrophobicContact CG2-CG2 3.73Å; I119-L156 HydrophobicContact CD1-CD2 3.45Å; I119-L156 VanDerWaalsContact CD1-CD2 3.45Å
120	Y	98.6	Very high	98.1	Very high	24 Å²	24	46.3 Å²	46.3	9%	0.094	23%	0.228	C	C	.	.			trans	-103.4	87	178.8	-170.1	-98	0	0	0	109.3	Y91 I169 Q172 H180 M183 A184 W187	Y91-Y120 PolarHBondContact OH-O 2.87Å; Y120-I169 HydrophobicContact CD1-CD1 4.48Å; Y120-I169 HydrophobicContact CD1-CG2 4.15Å; Y120-I169 HydrophobicContact CD2-CD1 3.8Å; Y120-I169 HydrophobicContact CD2-CG1 4.36Å; Y120-I169 HydrophobicContact CE1-CD1 4.44Å; Y120-I169 HydrophobicContact CE1-CG1 4.23Å; Y120-I169 HydrophobicContact CE1-CG2 3.8Å; Y120-I169 HydrophobicContact CE2-CD1 3.73Å; Y120-I169 HydrophobicContact CE2-CG1 3.8Å; Y120-I169 HydrophobicContact CG-CD1 4.17Å; Y120-Q172 PolarHBondContact OH-OE1 3.33Å; Y120-H180 AromaticContact CE1-CD2 3.88Å; Y120-M183 HydrophobicContact CD1-CB 4.06Å; Y120-M183 HydrophobicContact CE1-CB 3.76Å; Y120-M183 HydrophobicContact CE2-CE 4.28Å; Y120-A184 HydrophobicContact CD1-CB 4.21Å; Y120-W187 HydrophobicContact CD2-CD2 4.02Å; Y120-W187 AromaticContact CD2-CE2 3.72Å; Y120-W187 HydrophobicContact CD2-CG 4.38Å; Y120-W187 HydrophobicContact CD2-CH2 4.44Å; Y120-W187 AromaticContact CD2-CZ2 3.96Å; Y120-W187 HydrophobicContact CD2-CZ2 3.96Å; Y120-W187 AromaticContact CD2-NE1 3.9Å; Y120-W187 HydrophobicContact CG-CD2 4.32Å; Y120-W187 HydrophobicContact CG-CG 4.35Å
121	H	98.6	Very high	98.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-145.9	132.5	-168.4	-172.4	-71.7	0	0	0	110.6	Y91 I119 N123 I124 L155 C159	Y91-H121 AromaticContact CE2-CD2 3.99Å; Y91-H121 AromaticContact CZ-CD2 3.83Å; Y91-H121 PolarHBondContact OH-CD2 3.13Å; Y91-H121 VanDerWaalsContact OH-CD2 3.26Å; I119-H121 HydrophobicContact CG1-CB 4.29Å; I119-H121 HydrophobicContact CG2-CB 4.28Å; H121-N123 VanDerWaalsContact C-N 3.34Å; H121-N123 PolarHBondContact CE1-OD1 3.31Å; H121-N123 VanDerWaalsContact CE1-OD1 3.28Å; H121-N123 PolarHBondContact ND1-N 2.96Å; H121-N123 VanDerWaalsContact ND1-N 3.13Å; H121-N123 PolarHBondContact O-N 3.14Å; H121-I124 HydrophobicContact CB-CB 4.14Å; H121-I124 HydrophobicContact CB-CD1 4.01Å; H121-I124 HydrophobicContact CB-CG1 4.2Å; H121-I124 PolarHBondContact O-N 3.33Å; H121-I124 VanDerWaalsContact O-N 3.08Å; H121-L155 PolarHBondContact NE2-O 2.96Å; H121-C159 WeakPolarHBondContact NE2-CB 3.47Å
122	C	98.1	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.6	-172.4	61.5	0	0	0	0	113.9	C159 P164 L165 V166 I169 A170	C122-C159 VanDerWaalsContact SG-SG 3.61Å; C122-P164 HydrophobicContact CB-CB 4.16Å; C122-P164 CarbonylContact O-C 3.01Å; C122-L165 PolarHBondContact O-N 2.98Å; C122-V166 PolarHBondContact O-N 3.44Å; C122-I169 HydrophobicContact CB-CB 4.15Å; C122-I169 HydrophobicContact CB-CG2 4.01Å; C122-A170 HydrophobicContact CB-CB 3.9Å
123	N	98.4	Very high	97.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	8.2	174.8	-44.8	99.3	0	0	0	114.7	H121 I130 C131 L155 N160 D163	H121-N123 VanDerWaalsContact C-N 3.34Å; H121-N123 PolarHBondContact CE1-OD1 3.31Å; H121-N123 VanDerWaalsContact CE1-OD1 3.28Å; H121-N123 PolarHBondContact ND1-N 2.96Å; H121-N123 VanDerWaalsContact ND1-N 3.13Å; H121-N123 PolarHBondContact O-N 3.14Å; N123-I130 CarbonylContact O-C 3.58Å; N123-C131 HydrophobicContact CB-CB 3.93Å; N123-C131 PolarHBondContact O-N 3.23Å; N123-L155 HydrophobicContact CB-CD1 4.31Å; N123-L155 HydrophobicContact CB-CD2 4.24Å; N123-N160 PolarHBondContact ND2-O 2.88Å; N123-N160 PolarHBondContact OD1-N 3.39Å; N123-D163 PolarHBondContact ND2-O 3.04Å
124	I	98.5	Very high	97.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-129.6	118.6	178.4	-53.2	167.6	0	0	0	109.3	F115 I119 H121 V129 I130 L156 V166	F115-I124 HydrophobicContact CB-CG2 4.4Å; F115-I124 HydrophobicContact CD2-CD1 3.96Å; F115-I124 HydrophobicContact CD2-CG2 4.15Å; F115-I124 HydrophobicContact CE1-CD1 4.35Å; F115-I124 HydrophobicContact CE2-CD1 3.55Å; F115-I124 HydrophobicContact CE2-CG1 4.45Å; F115-I124 HydrophobicContact CG-CG2 4.34Å; F115-I124 HydrophobicContact CZ-CD1 3.77Å; I119-I124 HydrophobicContact CD1-CD1 4.34Å; I119-I124 HydrophobicContact CG2-CB 3.94Å; I119-I124 HydrophobicContact CG2-CD1 3.8Å; I119-I124 HydrophobicContact CG2-CG1 4.48Å; I119-I124 HydrophobicContact CG2-CG2 3.73Å; H121-I124 HydrophobicContact CB-CB 4.14Å; H121-I124 HydrophobicContact CB-CD1 4.01Å; H121-I124 HydrophobicContact CB-CG1 4.2Å; H121-I124 PolarHBondContact O-N 3.33Å; H121-I124 VanDerWaalsContact O-N 3.08Å; I124-V129 WeakPolarHBondContact CA-O 3.38Å; I124-I130 HydrophobicContact CG1-CG2 4.38Å; I124-L156 HydrophobicContact CD1-CD2 4.07Å; I124-V166 WeakPolarHBondContact O-CG2 3.38Å
125	N	97.4	Very high	97.4	Very high	46 Å²	46	43 Å²	43	25%	0.246	21%	0.213	C	C	.	.			trans	-84	174.3	-176.9	78.2	11.9	0	0	0	113.3	Q127 G128 V129 L165 V166	N125-Q127 PolarHBondContact O-N 2.64Å; N125-Q127 WeakPolarHBondContact OD1-CA 3.49Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.26Å; N125-Q127 PolarHBondContact OD1-N 2.82Å; N125-G128 PolarHBondContact O-N 2.92Å; N125-G128 PolarHBondContact OD1-N 3.01Å; N125-V129 PolarHBondContact N-O 3.09Å; N125-V129 PolarHBondContact OD1-N 3.46Å; N125-L165 HydrophobicContact CB-CB 4.17Å; N125-L165 HydrophobicContact CB-CD1 4.48Å; N125-V166 HydrophobicContact CB-CG2 4.18Å
126	S	97.2	Very high	97.1	Very high	110 Å²	110	47.1 Å²	47.1	77%	0.769	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.2	-179.3	57.1	0	0	0	0	115.2
127	Q	97.4	Very high	96.8	Very high	149 Å²	149	47.6 Å²	47.6	70%	0.696	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	8.2	172.9	-52.1	-59	-35	0	0	112.2	N125 V129	N125-Q127 PolarHBondContact O-N 2.64Å; N125-Q127 WeakPolarHBondContact OD1-CA 3.49Å; N125-Q127 WeakPolarHBondContact OD1-CB 3.26Å; N125-Q127 PolarHBondContact OD1-N 2.82Å; Q127-V129 VanDerWaalsContact C-N 3.27Å; Q127-V129 HydrophobicContact CB-CG2 4.42Å; Q127-V129 PolarHBondContact O-N 3.43Å
128	G	97.8	Very high	96.7	Very high	6 Å²	6	51.7 Å²	51.7	6%	0.062	27%	0.265	C	S	.	.			trans	73.7	10	179.5	0	0	0	0	0	115.3	T114 F115 N125	T114-G128 CarbonylContact C-O 3.58Å; T114-G128 VanDerWaalsContact CA-O 3.25Å; T114-G128 WeakPolarHBondContact CA-O 3.49Å; F115-G128 PolarHBondContact N-O 2.87Å; F115-G128 WeakPolarHBondContact O-CA 3.24Å; N125-G128 PolarHBondContact O-N 2.92Å; N125-G128 PolarHBondContact OD1-N 3.01Å
129	V	97.7	Very high	96.6	Very high	65 Å²	65	45.5 Å²	45.5	39%	0.394	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-71.1	133	175.4	-176.3	0	0	0	0	109.1	I124 N125 Q127 L165	I124-V129 WeakPolarHBondContact CA-O 3.38Å; N125-V129 PolarHBondContact N-O 3.09Å; N125-V129 PolarHBondContact OD1-N 3.46Å; Q127-V129 VanDerWaalsContact C-N 3.27Å; Q127-V129 HydrophobicContact CB-CG2 4.42Å; Q127-V129 PolarHBondContact O-N 3.43Å; V129-L165 HydrophobicContact CB-CD1 4.43Å; V129-L165 HydrophobicContact CG1-CD1 4.26Å; V129-L165 VanDerWaalsContact O-CD1 3.23Å; V129-L165 WeakPolarHBondContact O-CD1 3.29Å
130	I	97.9	Very high	96.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-102	130.6	-175.9	-47.4	172	0	0	0	109.3	L98 V113 F115 N123 I124 L132 L135 I152 L155	L98-I130 HydrophobicContact CD2-CD1 4.32Å; V113-I130 HydrophobicContact CB-CD1 4.4Å; V113-I130 HydrophobicContact CG1-CD1 4Å; F115-I130 HydrophobicContact CD2-CD1 3.75Å; F115-I130 HydrophobicContact CD2-CG1 3.81Å; F115-I130 HydrophobicContact CE2-CD1 3.69Å; F115-I130 HydrophobicContact CE2-CG1 4.02Å; N123-I130 CarbonylContact O-C 3.58Å; I124-I130 HydrophobicContact CG1-CG2 4.38Å; I130-L132 HydrophobicContact CG2-CB 3.94Å; I130-L132 PolarHBondContact O-N 2.7Å; I130-L135 HydrophobicContact CB-CD1 4.47Å; I130-L135 HydrophobicContact CD1-CD1 4.37Å; I130-I152 HydrophobicContact CD1-CD1 3.79Å; I130-I152 HydrophobicContact CD1-CG1 4.22Å; I130-L155 HydrophobicContact CG2-CD2 3.76Å
131	C	95.8	Very high	96.5	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.041	27%	0.268	C	S	.	.			trans	-81.8	101.1	158.9	-116	0	0	0	0	108.4	N123 K136 D163 L165	N123-C131 HydrophobicContact CB-CB 3.93Å; N123-C131 PolarHBondContact O-N 3.23Å; C131-K136 PolarHBondContact SG-NZ 2.91Å; C131-D163 PolarHBondContact SG-OD2 3.01Å; C131-L165 HydrophobicContact CB-CD1 4.03Å; C131-L165 HydrophobicContact CB-CD2 4.47Å; C131-L165 HydrophobicContact CB-CG 3.83Å
132	L	95.1	Very high	96.5	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.099	29%	0.294	C	S	.	.			trans	-143.1	126.3	170.4	-176.9	61	0	0	0	107.2	I130 I134 L135 I152	I130-L132 HydrophobicContact CG2-CB 3.94Å; I130-L132 PolarHBondContact O-N 2.7Å; L132-I134 VanDerWaalsContact C-N 3.35Å; L132-I134 HydrophobicContact CD1-CG1 4.28Å; L132-I134 HydrophobicContact CD2-CD1 4.14Å; L132-I134 HydrophobicContact CD2-CG1 3.77Å; L132-I134 HydrophobicContact CG-CG1 3.67Å; L132-I134 PolarHBondContact O-N 3.19Å; L132-L135 HydrophobicContact CB-CD1 4.2Å; L132-L135 HydrophobicContact CB-CG 4.31Å; L132-L135 HydrophobicContact CD2-CD1 4.25Å; L132-L135 HydrophobicContact CD2-CG 4.24Å; L132-L135 HydrophobicContact CG-CG 4.5Å; L132-L135 PolarHBondContact O-N 3.13Å; L132-L135 VanDerWaalsContact O-N 3.08Å; L132-I152 HydrophobicContact CD2-CG1 3.91Å
133	D	93.2	Very high	96.5	Very high	78 Å²	78	53.3 Å²	53.3	42%	0.417	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.9	-39.8	-172.6	66.8	-41.7	0	0	0	112.5	L135 K136 D137 N138	D133-L135 PolarHBondContact O-N 3.46Å; D133-K136 CarbonylContact O-C 3.59Å; D133-K136 WeakPolarHBondContact O-CA 3.42Å; D133-K136 PolarHBondContact O-N 2.75Å; D133-D137 PolarHBondContact O-N 2.93Å; D133-N138 HydrophobicContact CB-CB 4.21Å; D133-N138 PolarHBondContact O-N 2.92Å; D133-N138 VanDerWaalsContact O-N 3.12Å; D133-N138 WeakPolarHBondContact OD2-CB 3.4Å; D133-N138 PolarHBondContact OD2-ND2 3.34Å
134	I	95.8	Very high	96.4	Very high	21 Å²	21	54.7 Å²	54.7	11%	0.108	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-68.7	-10.1	176.5	62.9	157.7	0	0	0	113.8	L132 N138 W139 L143 V148 S151	L132-I134 VanDerWaalsContact C-N 3.35Å; L132-I134 HydrophobicContact CD1-CG1 4.28Å; L132-I134 HydrophobicContact CD2-CD1 4.14Å; L132-I134 HydrophobicContact CD2-CG1 3.77Å; L132-I134 HydrophobicContact CG-CG1 3.67Å; L132-I134 PolarHBondContact O-N 3.19Å; I134-N138 HydrophobicContact CG2-CB 4.31Å; I134-W139 WeakPolarHBondContact O-CB 3.39Å; I134-L143 HydrophobicContact CB-CD1 3.73Å; I134-L143 HydrophobicContact CD1-CD1 4.27Å; I134-L143 HydrophobicContact CG2-CD1 4Å; I134-V148 HydrophobicContact CD1-CG2 4.14Å; I134-S151 WeakPolarHBondContact CD1-OG 3.43Å
135	L	94.9	Very high	96.4	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.136	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-93.8	0.5	169.3	-63.8	179.8	0	0	0	112.8	P111 V113 I130 L132 D133 V148	P111-L135 HydrophobicContact CG-CD2 4.46Å; V113-L135 HydrophobicContact CB-CD1 4.02Å; V113-L135 HydrophobicContact CG2-CD1 4.38Å; V113-L135 HydrophobicContact CG2-CD2 4.03Å; I130-L135 HydrophobicContact CB-CD1 4.47Å; I130-L135 HydrophobicContact CD1-CD1 4.37Å; L132-L135 HydrophobicContact CB-CD1 4.2Å; L132-L135 HydrophobicContact CB-CG 4.31Å; L132-L135 HydrophobicContact CD2-CD1 4.25Å; L132-L135 HydrophobicContact CD2-CG 4.24Å; L132-L135 HydrophobicContact CG-CG 4.5Å; L132-L135 PolarHBondContact O-N 3.13Å; L132-L135 VanDerWaalsContact O-N 3.08Å; D133-L135 PolarHBondContact O-N 3.46Å; L135-V148 HydrophobicContact CD2-CG1 3.87Å; L135-V148 HydrophobicContact CD2-CG2 4.35Å
136	K	92.3	Very high	96.4	Very high	96 Å²	96	53.6 Å²	53.6	42%	0.417	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-117.8	178.3	-57	176.8	-173.7	170.6	0	109.1	C131 D133 N138 W139	C131-K136 PolarHBondContact SG-NZ 2.91Å; D133-K136 CarbonylContact O-C 3.59Å; D133-K136 WeakPolarHBondContact O-CA 3.42Å; D133-K136 PolarHBondContact O-N 2.75Å; K136-N138 PolarHBondContact O-N 2.93Å; K136-W139 PolarHBondContact O-N 2.82Å
137	D	92.3	Very high	96.4	Very high	150 Å²	150	53 Å²	53	80%	0.802	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24	-166.4	-44.4	-75.9	0	0	0	113.3	D133 W139	D133-D137 PolarHBondContact O-N 2.93Å; D137-W139 VanDerWaalsContact C-N 3.35Å
138	N	95.7	Very high	96.4	Very high	101 Å²	101	45.9 Å²	45.9	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	14.9	176.5	-71.6	-14.6	0	0	0	113.1	D133 I134 K136 S140	D133-N138 HydrophobicContact CB-CB 4.21Å; D133-N138 PolarHBondContact O-N 2.92Å; D133-N138 VanDerWaalsContact O-N 3.12Å; D133-N138 WeakPolarHBondContact OD2-CB 3.4Å; D133-N138 PolarHBondContact OD2-ND2 3.34Å; I134-N138 HydrophobicContact CG2-CB 4.31Å; K136-N138 PolarHBondContact O-N 2.93Å; N138-S140 PolarHBondContact O-N 3.36Å
139	W	98	Very high	96.4	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.11	25%	0.254	C	S	.	.			trans	-64.9	131.6	172.3	174.2	-99.6	0	0	0	111.3	Y106 P107 P110 P111 I134 K136 D137 L143 V148	Y106-W139 HydrophobicContact CD2-CZ2 4.29Å; Y106-W139 AromaticContact CE2-CH2 3.63Å; Y106-W139 HydrophobicContact CE2-CH2 3.63Å; Y106-W139 AromaticContact CE2-CZ2 3.55Å; Y106-W139 HydrophobicContact CE2-CZ2 3.55Å; P107-W139 HydrophobicContact CB-CZ2 4.42Å; P107-W139 PolarHBondContact O-NE1 3.07Å; P110-W139 VanDerWaalsContact CA-CD2 3.48Å; P110-W139 HydrophobicContact CB-CB 3.93Å; P110-W139 HydrophobicContact CB-CD2 3.69Å; P110-W139 HydrophobicContact CB-CE3 3.87Å; P110-W139 HydrophobicContact CB-CG 3.68Å; P110-W139 HydrophobicContact CG-CB 4.1Å; P110-W139 HydrophobicContact CG-CG 4.13Å; P111-W139 HydrophobicContact CG-CZ3 4.38Å; I134-W139 WeakPolarHBondContact O-CB 3.39Å; K136-W139 PolarHBondContact O-N 2.82Å; D137-W139 VanDerWaalsContact C-N 3.35Å; W139-L143 HydrophobicContact CD2-CD1 4.42Å; W139-L143 HydrophobicContact CE3-CB 4.09Å; W139-L143 HydrophobicContact CE3-CD1 3.73Å; W139-L143 HydrophobicContact CH2-CB 3.8Å; W139-L143 HydrophobicContact CZ3-CB 3.56Å; W139-L143 HydrophobicContact CZ3-CD1 4.01Å; W139-L143 HydrophobicContact CZ3-CG 4.44Å; W139-V148 HydrophobicContact CZ3-CG2 4.03Å
140	S	97.6	Very high	96.4	Very high	52 Å²	52	46.5 Å²	46.5	36%	0.364	26%	0.256	S	S	.	.			trans	-124.8	139.6	173	171.3	0	0	0	0	110.6	N138 A142 L143	N138-S140 PolarHBondContact O-N 3.36Å; S140-A142 PolarHBondContact O-N 3.41Å; S140-A142 PolarHBondContact OG-N 3.42Å; S140-L143 VanDerWaalsContact O-CB 3.3Å; S140-L143 WeakPolarHBondContact O-CB 3.47Å; S140-L143 PolarHBondContact O-N 3.13Å
141	P	97.3	Very high	96.3	Very high	53 Å²	53	48 Å²	48	34%	0.344	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.2	172.8	-26.1	35.2	0	0	0	115.3	R51 P107 F108	R51-P141 PolarHBondContact NH1-O 3.41Å; P107-P141 HydrophobicContact CB-CB 4.31Å; P107-P141 HydrophobicContact CG-CB 4.19Å; P107-P141 WeakPolarHBondContact O-CA 3.35Å; F108-P141 HydrophobicContact CD1-CG 4.05Å
142	A	97.6	Very high	96.4	Very high	67 Å²	67	47.8 Å²	47.8	55%	0.554	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.9	173.5	0	0	0	0	0	114.3	S140 K147	S140-A142 PolarHBondContact O-N 3.41Å; S140-A142 PolarHBondContact OG-N 3.42Å; A142-K147 PolarHBondContact O-NZ 2.75Å
143	L	98	Very high	96.5	Very high	31 Å²	31	47.7 Å²	47.7	16%	0.162	27%	0.266	C	S	.	.			trans	-78.5	157.9	166.3	-62.4	177.1	0	0	0	110.7	R51 I134 W139 S140 K147	R51-L143 PolarHBondContact NH2-O 2.85Å; I134-L143 HydrophobicContact CB-CD1 3.73Å; I134-L143 HydrophobicContact CD1-CD1 4.27Å; I134-L143 HydrophobicContact CG2-CD1 4Å; W139-L143 HydrophobicContact CD2-CD1 4.42Å; W139-L143 HydrophobicContact CE3-CB 4.09Å; W139-L143 HydrophobicContact CE3-CD1 3.73Å; W139-L143 HydrophobicContact CH2-CB 3.8Å; W139-L143 HydrophobicContact CZ3-CB 3.56Å; W139-L143 HydrophobicContact CZ3-CD1 4.01Å; W139-L143 HydrophobicContact CZ3-CG 4.44Å; S140-L143 VanDerWaalsContact O-CB 3.3Å; S140-L143 WeakPolarHBondContact O-CB 3.47Å; S140-L143 PolarHBondContact O-N 3.13Å; L143-K147 HydrophobicContact CD2-CB 4.47Å; L143-K147 HydrophobicContact CD2-CD 4.06Å
144	T	97.6	Very high	96.6	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.19	27%	0.27	C	S	.	.			trans	-137.5	164	179.4	56.8	0	0	0	0	109.4	E55 S146 K147 V148	E55-T144 HydrophobicContact CG-CG2 4.16Å; E55-T144 WeakPolarHBondContact OE2-CA 3.39Å; E55-T144 WeakPolarHBondContact OE2-CB 3.48Å; T144-S146 PolarHBondContact O-N 3.43Å; T144-K147 PolarHBondContact O-N 3.06Å; T144-K147 VanDerWaalsContact O-N 3.09Å; T144-K147 PolarHBondContact OG1-N 3.18Å; T144-V148 WeakPolarHBondContact O-CG2 3.49Å; T144-V148 PolarHBondContact O-N 3.03Å
145	I	97.9	Very high	96.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-40.9	174.1	-65	-54.1	0	0	0	111.4	E55 I59 A69 W79 I100 F102 P111 K147 V148 L149	E55-I145 PolarHBondContact OE2-N 2.91Å; I59-I145 HydrophobicContact CD1-CG2 4.13Å; A69-I145 HydrophobicContact CB-CG2 4.27Å; W79-I145 HydrophobicContact CE3-CG2 4.42Å; W79-I145 HydrophobicContact CZ3-CB 4.37Å; W79-I145 HydrophobicContact CZ3-CG1 4.32Å; W79-I145 HydrophobicContact CZ3-CG2 4.16Å; I100-I145 HydrophobicContact CD1-CG2 4Å; I100-I145 HydrophobicContact CG2-CD1 3.9Å; F102-I145 HydrophobicContact CE1-CD1 3.7Å; F102-I145 HydrophobicContact CE1-CG1 3.73Å; F102-I145 HydrophobicContact CZ-CD1 3.77Å; F102-I145 HydrophobicContact CZ-CG1 3.55Å; P111-I145 HydrophobicContact CB-CD1 4.11Å; P111-I145 HydrophobicContact CG-CD1 3.77Å; I145-K147 VanDerWaalsContact C-N 3.3Å; I145-K147 PolarHBondContact O-N 3.2Å; I145-V148 PolarHBondContact O-N 3.17Å; I145-V148 VanDerWaalsContact O-N 3.14Å; I145-L149 HydrophobicContact CG2-CD1 3.75Å; I145-L149 HydrophobicContact CG2-CG 4.09Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 2.79Å
146	S	97.1	Very high	96.8	Very high	24 Å²	24	46 Å²	46	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-41.3	177.5	-43.6	0	0	0	0	112.3	T144 L150	T144-S146 PolarHBondContact O-N 3.43Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.3Å; S146-L150 VanDerWaalsContact O-N 3.08Å
147	K	97.1	Very high	96.9	Very high	97 Å²	97	44.9 Å²	44.9	42%	0.422	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-42.1	174.8	-68.3	174.1	-178.6	179.8	0	112.2	A142 L143 T144 I145 L149 L150 S151	A142-K147 PolarHBondContact O-NZ 2.75Å; L143-K147 HydrophobicContact CD2-CB 4.47Å; L143-K147 HydrophobicContact CD2-CD 4.06Å; T144-K147 PolarHBondContact O-N 3.06Å; T144-K147 VanDerWaalsContact O-N 3.09Å; T144-K147 PolarHBondContact OG1-N 3.18Å; I145-K147 VanDerWaalsContact C-N 3.3Å; I145-K147 PolarHBondContact O-N 3.2Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 2.76Å; K147-L150 PolarHBondContact O-N 3.13Å; K147-S151 PolarHBondContact O-N 2.99Å; K147-S151 PolarHBondContact O-OG 2.96Å
148	V	98	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-43.5	176.7	170	0	0	0	0	111.3	V113 I134 L135 W139 T144 I145 S151 I152	V113-V148 HydrophobicContact CG2-CG1 4.15Å; I134-V148 HydrophobicContact CD1-CG2 4.14Å; L135-V148 HydrophobicContact CD2-CG1 3.87Å; L135-V148 HydrophobicContact CD2-CG2 4.35Å; W139-V148 HydrophobicContact CZ3-CG2 4.03Å; T144-V148 WeakPolarHBondContact O-CG2 3.49Å; T144-V148 PolarHBondContact O-N 3.03Å; I145-V148 PolarHBondContact O-N 3.17Å; I145-V148 VanDerWaalsContact O-N 3.14Å; V148-S151 PolarHBondContact O-N 3.06Å; V148-I152 HydrophobicContact CG1-CD1 3.95Å; V148-I152 WeakPolarHBondContact O-CG1 3.44Å; V148-I152 PolarHBondContact O-N 2.85Å
149	L	97.9	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-41.1	177.5	-66.3	172.6	0	0	0	111.8	I59 P64 C67 A69 S81 I83 I100 I145 K147 S151 I152 C153	I59-L149 HydrophobicContact CD1-CD1 4.03Å; P64-L149 HydrophobicContact CG-CB 4.41Å; P64-L149 HydrophobicContact CG-CD1 4.49Å; C67-L149 HydrophobicContact CB-CB 4.46Å; C67-L149 HydrophobicContact CB-CD1 4.35Å; A69-L149 HydrophobicContact CB-CD1 3.95Å; S81-L149 VanDerWaalsContact OG-CD2 3.26Å; S81-L149 WeakPolarHBondContact OG-CD2 3.42Å; I83-L149 HydrophobicContact CD1-CD2 4.01Å; I83-L149 HydrophobicContact CG1-CD2 4.33Å; I100-L149 HydrophobicContact CD1-CD2 4.47Å; I145-L149 HydrophobicContact CG2-CD1 3.75Å; I145-L149 HydrophobicContact CG2-CG 4.09Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 2.79Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 2.76Å; L149-S151 PolarHBondContact O-N 2.95Å; L149-I152 PolarHBondContact O-N 3.26Å; L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 2.95Å; L149-C153 VanDerWaalsContact O-SG 3.39Å
150	L	96.4	Very high	96.9	Very high	84 Å²	84	41.1 Å²	41.1	44%	0.44	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-43.3	172.5	-72.2	168.5	0	0	0	112.2	P64 S146 K147 I152 C153 S154	P64-L150 HydrophobicContact CB-CD1 4.34Å; P64-L150 HydrophobicContact CB-CD2 3.81Å; P64-L150 HydrophobicContact CB-CG 3.83Å; S146-L150 VanDerWaalsContact O-CG 3.28Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.3Å; S146-L150 VanDerWaalsContact O-N 3.08Å; K147-L150 PolarHBondContact O-N 3.13Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.43Å; L150-C153 PolarHBondContact O-N 2.87Å; L150-S154 PolarHBondContact O-N 3.28Å
151	S	97	Very high	96.8	Very high	42 Å²	42	40.3 Å²	40.3	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-36.5	174.7	-64	0	0	0	0	112.8	I134 K147 V148 L149 S154 L155	I134-S151 WeakPolarHBondContact CD1-OG 3.43Å; K147-S151 PolarHBondContact O-N 2.99Å; K147-S151 PolarHBondContact O-OG 2.96Å; V148-S151 PolarHBondContact O-N 3.06Å; L149-S151 PolarHBondContact O-N 2.95Å; S151-S154 PolarHBondContact O-N 3.42Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.24Å
152	I	97.6	Very high	96.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-42.6	173.4	-67.8	165.8	0	0	0	110.6	I83 L98 V113 F115 I130 L132 V148 L149 L150 S154 L155 L156	I83-I152 HydrophobicContact CD1-CB 4.16Å; I83-I152 HydrophobicContact CD1-CG2 3.6Å; L98-I152 HydrophobicContact CD2-CD1 4.03Å; L98-I152 HydrophobicContact CD2-CG2 4.43Å; V113-I152 HydrophobicContact CG1-CD1 3.88Å; F115-I152 HydrophobicContact CE2-CG2 3.89Å; F115-I152 HydrophobicContact CZ-CG2 3.83Å; I130-I152 HydrophobicContact CD1-CD1 3.79Å; I130-I152 HydrophobicContact CD1-CG1 4.22Å; L132-I152 HydrophobicContact CD2-CG1 3.91Å; V148-I152 HydrophobicContact CG1-CD1 3.95Å; V148-I152 WeakPolarHBondContact O-CG1 3.44Å; V148-I152 PolarHBondContact O-N 2.85Å; L149-I152 PolarHBondContact O-N 3.26Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.43Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.29Å; I152-L155 WeakPolarHBondContact O-CB 3.44Å; I152-L155 PolarHBondContact O-N 2.99Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.45Å
153	C	96.5	Very high	96.5	Very high	17 Å²	17	42.9 Å²	42.9	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-40.5	174.3	-71.3	0	0	0	0	112.3	C67 I83 L149 L150 L156 T157	C67-C153 PolarHBondContact SG-SG 3.2Å; I83-C153 VanDerWaalsContact CG2-SG 3.57Å; L149-C153 PolarHBondContact O-N 3.29Å; L149-C153 PolarHBondContact O-SG 2.95Å; L149-C153 VanDerWaalsContact O-SG 3.39Å; L150-C153 PolarHBondContact O-N 2.87Å; C153-L156 PolarHBondContact O-N 3.49Å; C153-T157 PolarHBondContact O-N 3.47Å; C153-T157 PolarHBondContact O-OG1 2.9Å
154	S	96.2	Very high	96.3	Very high	71 Å²	71	43.5 Å²	43.5	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-41.6	173.8	-163.8	0	0	0	0	111.8	L150 S151 I152 L156 T157 D158	L150-S154 PolarHBondContact O-N 3.28Å; S151-S154 PolarHBondContact O-N 3.42Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.29Å; S154-L156 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 3.2Å; S154-T157 PolarHBondContact O-N 2.94Å; S154-T157 VanDerWaalsContact O-N 3.15Å; S154-D158 PolarHBondContact O-N 3.31Å
155	L	96.7	Very high	96.3	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-35.5	176.3	-174.8	67.2	0	0	0	112	H121 N123 I130 S151 I152 T157 D158 C159	H121-L155 PolarHBondContact NE2-O 2.96Å; N123-L155 HydrophobicContact CB-CD1 4.31Å; N123-L155 HydrophobicContact CB-CD2 4.24Å; I130-L155 HydrophobicContact CG2-CD2 3.76Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.24Å; I152-L155 WeakPolarHBondContact O-CB 3.44Å; I152-L155 PolarHBondContact O-N 2.99Å; L155-T157 VanDerWaalsContact C-N 3.33Å; L155-D158 CarbonylContact O-C 3.33Å; L155-C159 WeakPolarHBondContact O-CA 3.28Å; L155-C159 PolarHBondContact O-N 3.08Å
156	L	97.5	Very high	96.3	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-24.5	174.6	-66.9	-173.4	0	0	0	113.7	I83 P86 Y91 F115 I119 I124 I152 C153 S154	I83-L156 HydrophobicContact CG2-CD1 4.25Å; P86-L156 HydrophobicContact CG-CB 4.13Å; Y91-L156 HydrophobicContact CD2-CB 3.95Å; Y91-L156 HydrophobicContact CD2-CD2 4.27Å; Y91-L156 VanDerWaalsContact CD2-O 3.25Å; Y91-L156 WeakPolarHBondContact CD2-O 3.43Å; Y91-L156 HydrophobicContact CE2-CB 4.25Å; Y91-L156 HydrophobicContact CE2-CD2 4.16Å; Y91-L156 WeakPolarHBondContact CE2-O 3.38Å; F115-L156 HydrophobicContact CZ-CD1 4.38Å; F115-L156 HydrophobicContact CZ-CD2 4.27Å; I119-L156 HydrophobicContact CD1-CD2 3.45Å; I119-L156 VanDerWaalsContact CD1-CD2 3.45Å; I124-L156 HydrophobicContact CD1-CD2 4.07Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.45Å; C153-L156 PolarHBondContact O-N 3.49Å; S154-L156 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 3.2Å
157	T	95.7	Very high	96.3	Very high	72 Å²	72	47.5 Å²	47.5	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-80.8	-49.3	170.1	-53.6	0	0	0	0	110.3	C153 S154 L155	C153-T157 PolarHBondContact O-N 3.47Å; C153-T157 PolarHBondContact O-OG1 2.9Å; S154-T157 PolarHBondContact O-N 2.94Å; S154-T157 VanDerWaalsContact O-N 3.15Å; L155-T157 VanDerWaalsContact C-N 3.33Å
158	D	95.1	Very high	96.3	Very high	108 Å²	108	46.9 Å²	46.9	58%	0.578	30%	0.298	S	S	*	.	S	Bend	trans	-125.8	84	-169.8	-63.3	-71.5	0	0	0	110.6	S154 L155	S154-D158 PolarHBondContact O-N 3.31Å; L155-D158 CarbonylContact O-C 3.33Å
159	C	95.5	Very high	96.3	Very high	18 Å²	18	47.5 Å²	47.5	12%	0.122	30%	0.301	C	S	.	.			trans	-69.3	155.1	178.5	75.4	0	0	0	0	112.2	H121 C122 L155 P161 Y173	H121-C159 WeakPolarHBondContact NE2-CB 3.47Å; C122-C159 VanDerWaalsContact SG-SG 3.61Å; L155-C159 WeakPolarHBondContact O-CA 3.28Å; L155-C159 PolarHBondContact O-N 3.08Å; C159-P161 WeakPolarHBondContact O-CD 3.33Å; C159-Y173 WeakPolarHBondContact SG-CE2 3.31Å; C159-Y173 VanDerWaalsContact SG-CZ 3.57Å
160	N	95	Very high	96.3	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	30%	0.303	S	S	.	.			trans	-103.6	91.3	178.9	178.6	4.3	0	0	0	111.2	N123 A162 D163	N123-N160 PolarHBondContact ND2-O 2.88Å; N123-N160 PolarHBondContact OD1-N 3.39Å; N160-A162 PolarHBondContact O-N 3.03Å; N160-A162 VanDerWaalsContact O-N 3.14Å; N160-A162 WeakPolarHBondContact OD1-CB 3.39Å; N160-A162 PolarHBondContact OD1-N 2.9Å; N160-D163 PolarHBondContact O-N 3.28Å; N160-D163 PolarHBondContact OD1-N 3.26Å
161	P	95	Very high	96.4	Very high	35 Å²	35	47.9 Å²	47.9	23%	0.227	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.3	178.8	29.9	-37.2	0	0	0	114.4	C159 A170 Y173 M174	C159-P161 WeakPolarHBondContact O-CD 3.33Å; P161-A170 HydrophobicContact CB-CB 4.19Å; P161-Y173 HydrophobicContact CB-CD1 4Å; P161-Y173 HydrophobicContact CG-CD1 3.88Å; P161-Y173 HydrophobicContact CG-CE1 3.96Å; P161-M174 HydrophobicContact CB-CG 3.83Å; P161-M174 HydrophobicContact CB-SD 3.89Å; P161-M174 HydrophobicContact CG-CG 4.16Å; P161-M174 HydrophobicContact CG-SD 3.51Å; P161-M174 VanDerWaalsContact CG-SD 3.51Å
162	A	94.5	Very high	96.5	Very high	93 Å²	93	47.9 Å²	47.9	77%	0.769	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-21.5	178.3	0	0	0	0	0	114.1	N160 P164	N160-A162 PolarHBondContact O-N 3.03Å; N160-A162 VanDerWaalsContact O-N 3.14Å; N160-A162 WeakPolarHBondContact OD1-CB 3.39Å; N160-A162 PolarHBondContact OD1-N 2.9Å; A162-P164 VanDerWaalsContact C-CD 3.41Å
163	D	93.4	Very high	96.5	Very high	82 Å²	82	49.9 Å²	49.9	44%	0.439	31%	0.31	S	S	.	.	S	Bend	trans	-122.6	67.6	167.9	-180	41	0	0	0	111.9	N123 C131 N160	N123-D163 PolarHBondContact ND2-O 3.04Å; C131-D163 PolarHBondContact SG-OD2 3.01Å; N160-D163 PolarHBondContact O-N 3.28Å; N160-D163 PolarHBondContact OD1-N 3.26Å
164	P	95.5	Very high	96.5	Very high	44 Å²	44	55.3 Å²	55.3	29%	0.286	34%	0.336	S	S	.	.			trans	-89.3	135.6	-174.5	35.9	-34.6	0	0	0	112.9	C122 A162 V166 A170	C122-P164 HydrophobicContact CB-CB 4.16Å; C122-P164 CarbonylContact O-C 3.01Å; A162-P164 VanDerWaalsContact C-CD 3.41Å; P164-V166 VanDerWaalsContact C-N 3.3Å; P164-A170 HydrophobicContact CB-CB 3.53Å; P164-A170 HydrophobicContact CG-CB 3.74Å
165	L	96.6	Very high	96.6	Very high	68 Å²	68	57.2 Å²	57.2	36%	0.356	34%	0.344	S	S	.	.	S	Bend	trans	-77.2	-18.9	164.6	-68	-180	0	0	0	112.6	C122 N125 V129 C131	C122-L165 PolarHBondContact O-N 2.98Å; N125-L165 HydrophobicContact CB-CB 4.17Å; N125-L165 HydrophobicContact CB-CD1 4.48Å; V129-L165 HydrophobicContact CB-CD1 4.43Å; V129-L165 HydrophobicContact CG1-CD1 4.26Å; V129-L165 VanDerWaalsContact O-CD1 3.23Å; V129-L165 WeakPolarHBondContact O-CD1 3.29Å; C131-L165 HydrophobicContact CB-CD1 4.03Å; C131-L165 HydrophobicContact CB-CD2 4.47Å; C131-L165 HydrophobicContact CB-CG 3.83Å
166	V	97.2	Very high	96.7	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	36%	0.361	C	S	.	.	S	Bend	trans	-129.1	84.5	178.4	-164	0	0	0	0	109.4	C122 I124 N125 P164 S168 I169 A170	C122-V166 PolarHBondContact O-N 3.44Å; I124-V166 WeakPolarHBondContact O-CG2 3.38Å; N125-V166 HydrophobicContact CB-CG2 4.18Å; P164-V166 VanDerWaalsContact C-N 3.3Å; V166-S168 VanDerWaalsContact C-N 3.26Å; V166-S168 PolarHBondContact O-N 3.07Å; V166-S168 VanDerWaalsContact O-N 3.17Å; V166-I169 HydrophobicContact CB-CB 4.35Å; V166-I169 HydrophobicContact CB-CD1 3.96Å; V166-I169 HydrophobicContact CB-CG1 4.1Å; V166-I169 HydrophobicContact CG1-CB 4.34Å; V166-I169 HydrophobicContact CG1-CD1 3.72Å; V166-I169 HydrophobicContact CG1-CG1 3.66Å; V166-I169 HydrophobicContact CG2-CD1 4.42Å; V166-I169 PolarHBondContact O-N 2.97Å; V166-A170 PolarHBondContact O-N 3.49Å
167	G	97.4	Very high	96.7	Very high	38 Å²	38	65.3 Å²	65.3	39%	0.392	38%	0.38	S	S	.	.	H	α-helix	trans	-54.3	-35.7	-174.4	0	0	0	0	0	114.5	I169 A170 T171	G167-I169 PolarHBondContact O-N 3.3Å; G167-A170 WeakPolarHBondContact O-CB 3.37Å; G167-A170 PolarHBondContact O-N 2.82Å; G167-T171 PolarHBondContact O-N 3.24Å; G167-T171 PolarHBondContact O-OG1 3.09Å; G167-T171 VanDerWaalsContact O-OG1 3.06Å
168	S	97.6	Very high	96.8	Very high	85 Å²	85	65.3 Å²	65.3	59%	0.594	39%	0.387	S	S	*	.	H	α-helix	trans	-64.7	-35.5	177	51.9	0	0	0	0	113.7	V166 Q172	V166-S168 VanDerWaalsContact C-N 3.26Å; V166-S168 PolarHBondContact O-N 3.07Å; V166-S168 VanDerWaalsContact O-N 3.17Å; S168-Q172 PolarHBondContact O-N 2.84Å
169	I	98.4	Very high	97	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.062	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-39.4	173.8	-57.7	-178.9	0	0	0	109.6	Y120 C122 V166 G167 Q172 Y173	Y120-I169 HydrophobicContact CD1-CD1 4.48Å; Y120-I169 HydrophobicContact CD1-CG2 4.15Å; Y120-I169 HydrophobicContact CD2-CD1 3.8Å; Y120-I169 HydrophobicContact CD2-CG1 4.36Å; Y120-I169 HydrophobicContact CE1-CD1 4.44Å; Y120-I169 HydrophobicContact CE1-CG1 4.23Å; Y120-I169 HydrophobicContact CE1-CG2 3.8Å; Y120-I169 HydrophobicContact CE2-CD1 3.73Å; Y120-I169 HydrophobicContact CE2-CG1 3.8Å; Y120-I169 HydrophobicContact CG-CD1 4.17Å; C122-I169 HydrophobicContact CB-CB 4.15Å; C122-I169 HydrophobicContact CB-CG2 4.01Å; V166-I169 HydrophobicContact CB-CB 4.35Å; V166-I169 HydrophobicContact CB-CD1 3.96Å; V166-I169 HydrophobicContact CB-CG1 4.1Å; V166-I169 HydrophobicContact CG1-CB 4.34Å; V166-I169 HydrophobicContact CG1-CD1 3.72Å; V166-I169 HydrophobicContact CG1-CG1 3.66Å; V166-I169 HydrophobicContact CG2-CD1 4.42Å; V166-I169 PolarHBondContact O-N 2.97Å; G167-I169 PolarHBondContact O-N 3.3Å; I169-Q172 PolarHBondContact O-N 3.31Å; I169-Y173 WeakPolarHBondContact O-CB 3.38Å; I169-Y173 PolarHBondContact O-N 3.02Å
170	A	98.1	Very high	97.1	Very high	6 Å²	6	62.2 Å²	62.2	5%	0.05	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-45.7	175.8	0	0	0	0	0	112.6	C122 P161 P164 V166 G167 Q172 Y173 M174	C122-A170 HydrophobicContact CB-CB 3.9Å; P161-A170 HydrophobicContact CB-CB 4.19Å; P164-A170 HydrophobicContact CB-CB 3.53Å; P164-A170 HydrophobicContact CG-CB 3.74Å; V166-A170 PolarHBondContact O-N 3.49Å; G167-A170 WeakPolarHBondContact O-CB 3.37Å; G167-A170 PolarHBondContact O-N 2.82Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 2.9Å; A170-Y173 PolarHBondContact O-N 2.97Å; A170-M174 VanDerWaalsContact O-CG 3.31Å; A170-M174 WeakPolarHBondContact O-CG 3.41Å; A170-M174 PolarHBondContact O-N 3.42Å
171	T	98	Very high	97.3	Very high	86 Å²	86	59.6 Å²	59.6	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-44.3	173.8	-53.8	0	0	0	0	110.7	G167 M174 T175	G167-T171 PolarHBondContact O-N 3.24Å; G167-T171 PolarHBondContact O-OG1 3.09Å; G167-T171 VanDerWaalsContact O-OG1 3.06Å; T171-M174 PolarHBondContact O-N 3.01Å; T171-T175 HydrophobicContact CG2-CG2 4.24Å; T171-T175 WeakPolarHBondContact O-CB 3.5Å; T171-T175 WeakPolarHBondContact O-CG2 3.39Å; T171-T175 PolarHBondContact O-N 3.14Å; T171-T175 PolarHBondContact O-OG1 3.44Å
172	Q	98.1	Very high	97.5	Very high	43 Å²	43	63 Å²	63	20%	0.201	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-42	177.7	-167.1	-178	72.5	0	0	112.2	Y120 S168 I169 A170 M174 T175 N176 R177 H180	Y120-Q172 PolarHBondContact OH-OE1 3.33Å; S168-Q172 PolarHBondContact O-N 2.84Å; I169-Q172 PolarHBondContact O-N 3.31Å; A170-Q172 VanDerWaalsContact C-N 3.32Å; A170-Q172 PolarHBondContact O-N 2.9Å; Q172-M174 VanDerWaalsContact C-N 3.3Å; Q172-M174 PolarHBondContact O-N 3.31Å; Q172-T175 PolarHBondContact O-N 2.87Å; Q172-N176 CarbonylContact O-C 3.59Å; Q172-N176 WeakPolarHBondContact O-CA 3.44Å; Q172-N176 PolarHBondContact O-N 3.33Å; Q172-R177 PolarHBondContact O-N 2.66Å; Q172-H180 HydrophobicContact CG-CB 4.17Å; Q172-H180 VanDerWaalsContact OE1-CA 3.26Å
173	Y	98.2	Very high	97.6	Very high	42 Å²	42	60.5 Å²	60.5	17%	0.165	34%	0.335	C	S	.	.	H	α-helix	trans	-56	-43.5	174.1	-178.7	-93	0	0	0	112.2	C159 P161 I169 A170 R177 H180	C159-Y173 WeakPolarHBondContact SG-CE2 3.31Å; C159-Y173 VanDerWaalsContact SG-CZ 3.57Å; P161-Y173 HydrophobicContact CB-CD1 4Å; P161-Y173 HydrophobicContact CG-CD1 3.88Å; P161-Y173 HydrophobicContact CG-CE1 3.96Å; I169-Y173 WeakPolarHBondContact O-CB 3.38Å; I169-Y173 PolarHBondContact O-N 3.02Å; A170-Y173 PolarHBondContact O-N 2.97Å; Y173-R177 VanDerWaalsContact CE2-NH1 3.33Å; Y173-R177 PolarHBondContact OH-NH1 3.46Å; Y173-H180 AromaticContact CD2-CE1 3.68Å; Y173-H180 AromaticContact CD2-ND1 3.73Å; Y173-H180 AromaticContact CD2-NE2 3.89Å
174	M	97.5	Very high	97.9	Very high	132 Å²	132	56.6 Å²	56.6	65%	0.65	31%	0.314	S	S	*	.	H	α-helix	trans	-78.7	-31.6	-178.1	-65.9	-63.1	-72.1	0	0	114.1	P161 A170 T171 Q172	P161-M174 HydrophobicContact CB-CG 3.83Å; P161-M174 HydrophobicContact CB-SD 3.89Å; P161-M174 HydrophobicContact CG-CG 4.16Å; P161-M174 HydrophobicContact CG-SD 3.51Å; P161-M174 VanDerWaalsContact CG-SD 3.51Å; A170-M174 VanDerWaalsContact O-CG 3.31Å; A170-M174 WeakPolarHBondContact O-CG 3.41Å; A170-M174 PolarHBondContact O-N 3.42Å; T171-M174 PolarHBondContact O-N 3.01Å; Q172-M174 VanDerWaalsContact C-N 3.3Å; Q172-M174 PolarHBondContact O-N 3.31Å
175	T	97.9	Very high	98	Very high	110 Å²	110	60.9 Å²	60.9	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-105.4	-24.9	-173.1	60	0	0	0	0	114.4	T171 Q172	T171-T175 HydrophobicContact CG2-CG2 4.24Å; T171-T175 WeakPolarHBondContact O-CB 3.5Å; T171-T175 WeakPolarHBondContact O-CG2 3.39Å; T171-T175 PolarHBondContact O-N 3.14Å; T171-T175 PolarHBondContact O-OG1 3.44Å; Q172-T175 PolarHBondContact O-N 2.87Å
176	N	97.7	Very high	98.1	Very high	81 Å²	81	62.2 Å²	62.2	43%	0.433	33%	0.329	S	S	.	.			trans	-151.1	68.6	178	-170.2	-11.5	0	0	0	110.7	Q172 A178 E179 H180	Q172-N176 CarbonylContact O-C 3.59Å; Q172-N176 WeakPolarHBondContact O-CA 3.44Å; Q172-N176 PolarHBondContact O-N 3.33Å; N176-A178 PolarHBondContact O-N 2.84Å; N176-A178 VanDerWaalsContact O-N 3.15Å; N176-E179 HydrophobicContact CB-CB 4.35Å; N176-E179 WeakPolarHBondContact ND2-CB 3.09Å; N176-E179 PolarHBondContact O-N 3.46Å; N176-E179 VanDerWaalsContact O-N 3.14Å; N176-E179 WeakPolarHBondContact OD1-CB 3.4Å; N176-E179 PolarHBondContact OD1-N 3.24Å; N176-E179 VanDerWaalsContact OD1-N 3.11Å; N176-H180 PolarHBondContact O-N 2.8Å
177	R	98	Very high	98.2	Very high	109 Å²	109	64.3 Å²	64.3	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-53.4	-32.5	178.6	-178	65.8	-159.5	-93.2	-17.2	113.2	Q172 Y173 D181	Q172-R177 PolarHBondContact O-N 2.66Å; Y173-R177 VanDerWaalsContact CE2-NH1 3.33Å; Y173-R177 PolarHBondContact OH-NH1 3.46Å; R177-D181 IonicContact CZ-OD1 3.57Å; R177-D181 IonicContact CZ-OD2 3.36Å; R177-D181 IonicContact NE-OD1 2.77Å; R177-D181 PolarHBondContact NE-OD1 3.13Å; R177-D181 IonicContact NE-OD2 3.05Å; R177-D181 PolarHBondContact NE-OD2 3.33Å; R177-D181 IonicContact NH2-OD1 3.52Å; R177-D181 IonicContact NH2-OD2 2.8Å; R177-D181 PolarHBondContact NH2-OD2 3.1Å; R177-D181 WeakPolarHBondContact O-CB 3.46Å; R177-D181 VanDerWaalsContact O-CG 3.29Å; R177-D181 PolarHBondContact O-N 2.88Å
178	A	98.4	Very high	98.3	Very high	73 Å²	73	62.9 Å²	62.9	60%	0.603	32%	0.317	S	S	*	.	H	α-helix	trans	-66.5	-44.3	178.7	0	0	0	0	0	112.5	N176 D181 R182	N176-A178 PolarHBondContact O-N 2.84Å; N176-A178 VanDerWaalsContact O-N 3.15Å; A178-D181 PolarHBondContact O-N 3.15Å; A178-R182 WeakPolarHBondContact O-CB 3.36Å; A178-R182 PolarHBondContact O-N 2.73Å
179	E	98.4	Very high	98.3	Very high	56 Å²	56	66.7 Å²	66.7	26%	0.262	32%	0.323	S	S	.	.	H	α-helix	trans	-71.3	-38.4	175.6	176.5	59.4	-169.9	0	0	111.8	N176 D181 R182 M183	N176-E179 HydrophobicContact CB-CB 4.35Å; N176-E179 WeakPolarHBondContact ND2-CB 3.09Å; N176-E179 PolarHBondContact O-N 3.46Å; N176-E179 VanDerWaalsContact O-N 3.14Å; N176-E179 WeakPolarHBondContact OD1-CB 3.4Å; N176-E179 PolarHBondContact OD1-N 3.24Å; N176-E179 VanDerWaalsContact OD1-N 3.11Å; E179-D181 VanDerWaalsContact C-N 3.33Å; E179-D181 PolarHBondContact O-N 2.69Å; E179-R182 WeakPolarHBondContact O-CB 3.44Å; E179-R182 PolarHBondContact O-N 2.87Å; E179-R182 IonicContact OE1-CZ 3.52Å; E179-R182 IonicContact OE1-NE 3.55Å; E179-R182 IonicContact OE1-NH2 2.69Å; E179-R182 PolarHBondContact OE1-NH2 3.43Å; E179-R182 IonicContact OE2-CZ 3.51Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 PolarHBondContact OE2-NE 2.95Å; E179-R182 IonicContact OE2-NH2 3.46Å; E179-R182 PolarHBondContact OE2-NH2 3.48Å; E179-M183 WeakPolarHBondContact O-CB 3.49Å; E179-M183 WeakPolarHBondContact O-CG 3.41Å; E179-M183 PolarHBondContact O-N 3.27Å
180	H	98.6	Very high	98.3	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.019	35%	0.351	C	S	.	.	H	α-helix	trans	-52.9	-51.5	170.2	171.8	-81.9	0	0	0	111.2	Y120 Q172 Y173 N176 R182 M183 A184	Y120-H180 AromaticContact CE1-CD2 3.88Å; Q172-H180 HydrophobicContact CG-CB 4.17Å; Q172-H180 VanDerWaalsContact OE1-CA 3.26Å; Y173-H180 AromaticContact CD2-CE1 3.68Å; Y173-H180 AromaticContact CD2-ND1 3.73Å; Y173-H180 AromaticContact CD2-NE2 3.89Å; N176-H180 PolarHBondContact O-N 2.8Å; H180-R182 VanDerWaalsContact C-N 3.31Å; H180-R182 PolarHBondContact O-N 2.81Å; H180-M183 PolarHBondContact O-N 3.41Å; H180-A184 WeakPolarHBondContact O-CB 3.13Å; H180-A184 PolarHBondContact O-N 3.18Å
181	D	98.5	Very high	98.3	Very high	19 Å²	19	77.4 Å²	77.4	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-71.5	-28.4	-176.3	-71.9	11.7	0	0	0	112.2	V90 R177 A178 E179 R185	V90-D181 HydrophobicContact CG1-CB 3.55Å; R177-D181 IonicContact CZ-OD1 3.57Å; R177-D181 IonicContact CZ-OD2 3.36Å; R177-D181 IonicContact NE-OD1 2.77Å; R177-D181 PolarHBondContact NE-OD1 3.13Å; R177-D181 IonicContact NE-OD2 3.05Å; R177-D181 PolarHBondContact NE-OD2 3.33Å; R177-D181 IonicContact NH2-OD1 3.52Å; R177-D181 IonicContact NH2-OD2 2.8Å; R177-D181 PolarHBondContact NH2-OD2 3.1Å; R177-D181 WeakPolarHBondContact O-CB 3.46Å; R177-D181 VanDerWaalsContact O-CG 3.29Å; R177-D181 PolarHBondContact O-N 2.88Å; A178-D181 PolarHBondContact O-N 3.15Å; E179-D181 VanDerWaalsContact C-N 3.33Å; E179-D181 PolarHBondContact O-N 2.69Å; D181-R185 VanDerWaalsContact C-NH2 3.3Å; D181-R185 VanDerWaalsContact CB-NH2 3.34Å; D181-R185 WeakPolarHBondContact O-CB 3.25Å; D181-R185 WeakPolarHBondContact O-CG 3.42Å; D181-R185 VanDerWaalsContact O-CZ 3.27Å; D181-R185 PolarHBondContact O-N 3.1Å; D181-R185 VanDerWaalsContact O-N 3.13Å; D181-R185 PolarHBondContact O-NE 3.22Å; D181-R185 VanDerWaalsContact O-NE 3.1Å; D181-R185 PolarHBondContact O-NH2 3.42Å
182	R	98.6	Very high	98.3	Very high	106 Å²	106	73.6 Å²	73.6	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-46.1	169.4	-164.8	-161.6	64.2	64.5	3.9	111	A178 E179 H180 Q186	A178-R182 WeakPolarHBondContact O-CB 3.36Å; A178-R182 PolarHBondContact O-N 2.73Å; E179-R182 WeakPolarHBondContact O-CB 3.44Å; E179-R182 PolarHBondContact O-N 2.87Å; E179-R182 IonicContact OE1-CZ 3.52Å; E179-R182 IonicContact OE1-NE 3.55Å; E179-R182 IonicContact OE1-NH2 2.69Å; E179-R182 PolarHBondContact OE1-NH2 3.43Å; E179-R182 IonicContact OE2-CZ 3.51Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 PolarHBondContact OE2-NE 2.95Å; E179-R182 IonicContact OE2-NH2 3.46Å; E179-R182 PolarHBondContact OE2-NH2 3.48Å; H180-R182 VanDerWaalsContact C-N 3.31Å; H180-R182 PolarHBondContact O-N 2.81Å; R182-Q186 WeakPolarHBondContact O-CB 3.45Å; R182-Q186 PolarHBondContact O-N 3.21Å
183	M	98.4	Very high	98	Very high	42 Å²	42	77.6 Å²	77.6	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-43	178	-78.4	-66.9	-72	0	0	112.3	Y120 E179 H180 Q186 W187	Y120-M183 HydrophobicContact CD1-CB 4.06Å; Y120-M183 HydrophobicContact CE1-CB 3.76Å; Y120-M183 HydrophobicContact CE2-CE 4.28Å; E179-M183 WeakPolarHBondContact O-CB 3.49Å; E179-M183 WeakPolarHBondContact O-CG 3.41Å; E179-M183 PolarHBondContact O-N 3.27Å; H180-M183 PolarHBondContact O-N 3.41Å; M183-Q186 PolarHBondContact O-N 2.63Å; M183-W187 VanDerWaalsContact O-CD1 3.26Å; M183-W187 PolarHBondContact O-N 3.04Å
184	A	98.7	Very high	98	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-52	177	0	0	0	0	0	111.8	V90 Y91 Y120 H180 Q186 W187 T188	V90-A184 HydrophobicContact CB-CB 3.68Å; V90-A184 HydrophobicContact CG1-CB 4.36Å; V90-A184 HydrophobicContact CG2-CB 3.51Å; Y91-A184 HydrophobicContact CE1-CB 4.25Å; Y120-A184 HydrophobicContact CD1-CB 4.21Å; H180-A184 WeakPolarHBondContact O-CB 3.13Å; H180-A184 PolarHBondContact O-N 3.18Å; A184-Q186 VanDerWaalsContact C-N 3.27Å; A184-Q186 PolarHBondContact O-N 3.41Å; A184-W187 PolarHBondContact O-N 3.42Å; A184-T188 PolarHBondContact O-N 3.02Å; A184-T188 PolarHBondContact O-OG1 3.1Å
185	R	98.6	Very high	98	Very high	134 Å²	134	76.6 Å²	76.6	51%	0.506	36%	0.362	S	S	.	.	H	α-helix	trans	-58.8	-36.7	174.5	-73.7	179.7	-70.7	-108.5	-2.6	112.8	V90 D181 K189	V90-R185 HydrophobicContact CB-CG 4.06Å; V90-R185 HydrophobicContact CG1-CG 4.42Å; V90-R185 WeakPolarHBondContact O-CG 3.41Å; D181-R185 VanDerWaalsContact C-NH2 3.3Å; D181-R185 VanDerWaalsContact CB-NH2 3.34Å; D181-R185 WeakPolarHBondContact O-CB 3.25Å; D181-R185 WeakPolarHBondContact O-CG 3.42Å; D181-R185 VanDerWaalsContact O-CZ 3.27Å; D181-R185 PolarHBondContact O-N 3.1Å; D181-R185 VanDerWaalsContact O-N 3.13Å; D181-R185 PolarHBondContact O-NE 3.22Å; D181-R185 VanDerWaalsContact O-NE 3.1Å; D181-R185 PolarHBondContact O-NH2 3.42Å; R185-K189 PolarHBondContact O-N 3.01Å; R185-K189 VanDerWaalsContact O-N 3.07Å
186	Q	98.5	Very high	98.1	Very high	95 Å²	95	74.8 Å²	74.8	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-35.4	175.1	-174.1	177.1	6.2	0	0	112.6	R182 M183 A184 R190	R182-Q186 WeakPolarHBondContact O-CB 3.45Å; R182-Q186 PolarHBondContact O-N 3.21Å; M183-Q186 PolarHBondContact O-N 2.63Å; A184-Q186 VanDerWaalsContact C-N 3.27Å; A184-Q186 PolarHBondContact O-N 3.41Å; Q186-R190 VanDerWaalsContact O-CB 3.24Å; Q186-R190 WeakPolarHBondContact O-CB 3.44Å; Q186-R190 PolarHBondContact O-N 2.77Å
187	W	98.6	Very high	98.1	Very high	77 Å²	77	74.4 Å²	74.4	29%	0.292	34%	0.34	S	S	.	.	H	α-helix	trans	-72.8	-42.5	174.5	-85.8	56	0	0	0	112.1	R118 Y120 M183 A184 K189 R190 Y191	R118-W187 HydrophobicContact CB-CE3 4.41Å; R118-W187 HydrophobicContact CB-CZ3 4.27Å; Y120-W187 HydrophobicContact CD2-CD2 4.02Å; Y120-W187 AromaticContact CD2-CE2 3.72Å; Y120-W187 HydrophobicContact CD2-CG 4.38Å; Y120-W187 HydrophobicContact CD2-CH2 4.44Å; Y120-W187 AromaticContact CD2-CZ2 3.96Å; Y120-W187 HydrophobicContact CD2-CZ2 3.96Å; Y120-W187 AromaticContact CD2-NE1 3.9Å; Y120-W187 HydrophobicContact CG-CD2 4.32Å; Y120-W187 HydrophobicContact CG-CG 4.35Å; M183-W187 VanDerWaalsContact O-CD1 3.26Å; M183-W187 PolarHBondContact O-N 3.04Å; A184-W187 PolarHBondContact O-N 3.42Å; W187-K189 VanDerWaalsContact C-N 3.35Å; W187-K189 PolarHBondContact O-N 3.37Å; W187-R190 PolarHBondContact O-N 3.11Å; W187-Y191 HydrophobicContact CB-CD2 4.17Å; W187-Y191 AromaticContact CD2-CD2 3.96Å; W187-Y191 HydrophobicContact CD2-CD2 3.96Å; W187-Y191 AromaticContact CD2-CE2 3.65Å; W187-Y191 HydrophobicContact CD2-CE2 3.65Å; W187-Y191 AromaticContact CE3-CD2 3.79Å; W187-Y191 HydrophobicContact CE3-CD2 3.79Å; W187-Y191 AromaticContact CE3-CE2 3.72Å; W187-Y191 HydrophobicContact CE3-CE2 3.72Å; W187-Y191 HydrophobicContact CG-CD2 4.14Å; W187-Y191 HydrophobicContact CG-CE2 4.01Å; W187-Y191 HydrophobicContact CZ3-CE2 4.27Å; W187-Y191 WeakPolarHBondContact O-CD2 3.48Å; W187-Y191 PolarHBondContact O-N 3.14Å
188	T	98.7	Very high	98.1	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-50.5	-55.1	172.1	-55.5	0	0	0	0	110.2	V90 Y91 F96 A184 R190 A192 T193	V90-T188 PolarHBondContact O-OG1 3.15Å; Y91-T188 WeakPolarHBondContact O-CG2 3.42Å; F96-T188 HydrophobicContact CZ-CG2 4.22Å; A184-T188 PolarHBondContact O-N 3.02Å; A184-T188 PolarHBondContact O-OG1 3.1Å; T188-R190 PolarHBondContact O-N 2.8Å; T188-A192 WeakPolarHBondContact O-CA 3.46Å; T188-A192 WeakPolarHBondContact O-CB 3.48Å; T188-A192 PolarHBondContact O-N 3.05Å; T188-T193 PolarHBondContact O-N 2.76Å
189	K	98.4	Very high	98.1	Very high	166 Å²	166	72.2 Å²	72.2	72%	0.722	32%	0.317	S	S	*	.	H	α-helix	trans	-67.7	-13	178.3	-175.7	166.8	-179.7	175.4	0	115.1	R185 W187 T193	R185-K189 PolarHBondContact O-N 3.01Å; R185-K189 VanDerWaalsContact O-N 3.07Å; W187-K189 VanDerWaalsContact C-N 3.35Å; W187-K189 PolarHBondContact O-N 3.37Å; K189-T193 WeakPolarHBondContact CA-OG1 3.21Å; K189-T193 PolarHBondContact O-OG1 3.03Å; K189-T193 VanDerWaalsContact O-OG1 3.13Å
190	R	98.4	Very high	98	Very high	171 Å²	171	73.4 Å²	73.4	65%	0.645	32%	0.321	S	S	*	.	H	α-helix	trans	-101.8	-25.9	-178.4	-174	173	-178.3	-178.7	1.9	113.6	Q186 W187 T188	Q186-R190 VanDerWaalsContact O-CB 3.24Å; Q186-R190 WeakPolarHBondContact O-CB 3.44Å; Q186-R190 PolarHBondContact O-N 2.77Å; W187-R190 PolarHBondContact O-N 3.11Å; T188-R190 PolarHBondContact O-N 2.8Å
191	Y	98.2	Very high	98	Very high	71 Å²	71	78.7 Å²	78.7	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-130.7	-14.4	-170	-57.9	-58.7	0	0	0	114.3	T117 R118 W187	T117-Y191 WeakPolarHBondContact CG2-O 3.39Å; R118-Y191 HydrophobicContact CB-CD1 4.43Å; R118-Y191 HydrophobicContact CB-CD2 3.96Å; R118-Y191 HydrophobicContact CB-CG 3.89Å; W187-Y191 HydrophobicContact CB-CD2 4.17Å; W187-Y191 AromaticContact CD2-CD2 3.96Å; W187-Y191 HydrophobicContact CD2-CD2 3.96Å; W187-Y191 AromaticContact CD2-CE2 3.65Å; W187-Y191 HydrophobicContact CD2-CE2 3.65Å; W187-Y191 AromaticContact CE3-CD2 3.79Å; W187-Y191 HydrophobicContact CE3-CD2 3.79Å; W187-Y191 AromaticContact CE3-CE2 3.72Å; W187-Y191 HydrophobicContact CE3-CE2 3.72Å; W187-Y191 HydrophobicContact CG-CD2 4.14Å; W187-Y191 HydrophobicContact CG-CE2 4.01Å; W187-Y191 HydrophobicContact CZ3-CE2 4.27Å; W187-Y191 WeakPolarHBondContact O-CD2 3.48Å; W187-Y191 PolarHBondContact O-N 3.14Å
192	A	97.7	Very high	98	Very high	7 Å²	7	83.7 Å²	83.7	6%	0.058	37%	0.365	C	S	.	.			trans	-122.2	5.6	-176.5	0	0	0	0	0	113.6	G94 V95 F96 T117 T188	G94-A192 CarbonylContact C-O 3.54Å; G94-A192 WeakPolarHBondContact CA-O 3.4Å; V95-A192 PolarHBondContact N-O 3.35Å; F96-A192 HydrophobicContact CD1-CB 4.13Å; F96-A192 HydrophobicContact CE1-CB 3.66Å; F96-A192 HydrophobicContact CE2-CB 4.19Å; F96-A192 HydrophobicContact CZ-CB 3.69Å; T117-A192 HydrophobicContact CG2-CB 3.76Å; T188-A192 WeakPolarHBondContact O-CA 3.46Å; T188-A192 WeakPolarHBondContact O-CB 3.48Å; T188-A192 PolarHBondContact O-N 3.05Å
193	T	92.7	Very high	97.9	Very high	127 Å²	127	81.6 Å²	81.6	78%	0.779	36%	0.362	S	S	*	.			trans	-133.8	0	175.3	63.9	0	0	0	0	110.2	T188 K189	T188-T193 PolarHBondContact O-N 2.76Å; K189-T193 WeakPolarHBondContact CA-OG1 3.21Å; K189-T193 PolarHBondContact O-OG1 3.03Å; K189-T193 VanDerWaalsContact O-OG1 3.13Å

Retrieved 193 of 193 residues in 55.5 ms (Link to these results)

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