UB2E1_HUMAN Loading...

Isoform 3 of Ubiquitin-conjugating enzyme E2 E1 AlphaSync

Canonical isoform description: 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 P51965-3 (canonical: P51965), Species HUMAN (Homo sapiens, Human), Gene UBE2E1, Length 176 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	52.9	Low	58.5	Low	241 Å²	241	137.9 Å²	137.9	100%	1.187	79%	0.789	S	S	*	*				0	132	0	-78.2	-177.6	159.7	0	0	107
2	S	65.2	Low	58.6	Low	122 Å²	122	134.6 Å²	134.6	85%	0.853	78%	0.78	S	S	*	*			trans	93.3	99.1	172.1	-50.6	0	0	0	0	116.3
3	D	62.8	Low	58.5	Low	149 Å²	149	132.8 Å²	132.8	80%	0.797	78%	0.781	S	S	*	*			trans	-71.2	168.1	178.6	-53.6	-82.6	0	0	0	115.2
4	D	59	Low	58.4	Low	144 Å²	144	130.4 Å²	130.4	77%	0.77	77%	0.774	S	S	*	*			trans	22.4	134.6	145.6	-89.6	-82.1	0	0	0	120.9
5	D	59.3	Low	58.3	Low	143 Å²	143	129.1 Å²	129.1	77%	0.765	77%	0.774	S	S	*	*				-177.4	134.1	109.1	-115.6	-46.1	0	0	0	115.3
6	S	60.3	Low	57.9	Low	70 Å²	70	127 Å²	127	49%	0.49	77%	0.767	S	S	.	*				74.3	121.8	128.4	-77.7	0	0	0	0	125.1
7	R	61	Low	57.7	Low	226 Å²	226	126.1 Å²	126.1	85%	0.853	77%	0.768	S	S	*	*				90.4	119.4	121.4	-71.2	172.6	174.1	149	0.6	121.8
8	A	54.7	Low	57.4	Low	93 Å²	93	124.3 Å²	124.3	77%	0.769	76%	0.762	S	S	*	*				39.8	142.1	124	0	0	0	0	0	119
9	S	56.3	Low	56.8	Low	97 Å²	97	124.7 Å²	124.7	68%	0.678	76%	0.759	S	S	*	*			cis	174.3	175.5	28.4	28	0	0	0	0	109.4
10	T	55.5	Low	56.4	Low	123 Å²	123	125 Å²	125	76%	0.755	75%	0.752	S	S	*	*			trans	78.1	109.6	155	59.8	0	0	0	0	118.7
11	S	56.4	Low	55.9	Low	109 Å²	109	126.5 Å²	126.5	76%	0.762	75%	0.751	S	S	*	*				77.2	141.5	90.6	83.2	0	0	0	0	112.1
12	S	59.5	Low	55.5	Low	98 Å²	98	120 Å²	120	69%	0.685	73%	0.725	S	S	*	*			cis	-175.9	159.5	18	37.3	0	0	0	0	110
13	S	57.5	Low	54.4	Low	112 Å²	112	122 Å²	122	78%	0.783	72%	0.72	S	S	*	*			trans	71.5	144.9	146.5	75.2	0	0	0	0	118.5
14	S	57.2	Low	53.5	Low	99 Å²	99	123.4 Å²	123.4	69%	0.692	72%	0.719	S	S	*	*			cis	-172.8	156.8	17.3	35.3	0	0	0	0	112.3
15	S	56.8	Low	52.6	Low	110 Å²	110	124.1 Å²	124.1	77%	0.769	72%	0.718	S	S	*	*			trans	75.4	141.2	143.4	77.1	0	0	0	0	118.9
16	S	52.5	Low	51.6	Low	96 Å²	96	123 Å²	123	67%	0.671	72%	0.716	S	S	*	*			cis	-170.3	148.6	9.2	-6.5	0	0	0	0	110.8
17	S	53.6	Low	50.7	Low	112 Å²	112	127.2 Å²	127.2	78%	0.783	73%	0.734	S	S	*	*			trans	70.4	136.4	133.7	-61.1	0	0	0	0	120.7
18	S	51.8	Low	50	Low	93 Å²	93	122.7 Å²	122.7	65%	0.65	73%	0.732	S	S	*	*			cis	-173.9	146.9	8.5	-81.3	0	0	0	0	111.8
19	N	46.8	Very low	49.4	Very low	132 Å²	132	123.6 Å²	123.6	71%	0.706	73%	0.73	S	S	*	*			trans	62.8	144.5	137.1	-68.7	-15.1	0	0	0	121.9
20	Q	49.1	Very low	48.7	Very low	131 Å²	131	128.9 Å²	128.9	61%	0.612	74%	0.74	S	S	*	*			cis	-174.9	159.4	1	-116.4	169.6	37.4	0	0	110.6
21	Q	46.6	Very low	47.7	Very low	157 Å²	157	133.1 Å²	133.1	73%	0.734	75%	0.748	S	S	*	*			trans	77.4	133	148.2	-74	165.7	-2.2	0	0	118.6
22	T	43	Very low	46.9	Very low	105 Å²	105	137.3 Å²	137.3	64%	0.644	75%	0.753	S	S	*	*			cis	-165.2	141.7	24.1	-5.1	0	0	0	0	112.8
23	E	43.5	Very low	45.6	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	76%	0.763	S	S	*	*			trans	60.1	115.3	136	-71.4	164.3	-169.4	0	0	122.6
24	K	42.6	Very low	44.5	Very low	178 Å²	178	141.8 Å²	141.8	77%	0.774	76%	0.763	S	S	*	*				67.5	136	89.1	-82.7	-175.7	164.5	-155.8	0	113.2
25	E	41.6	Very low	43.4	Very low	159 Å²	159	146.8 Å²	146.8	74%	0.743	77%	0.772	S	S	*	*			cis	-168.7	168.9	30.6	-124.3	164.5	-153.9	0	0	110.5
26	T	37.4	Very low	42.4	Very low	119 Å²	119	148.2 Å²	148.2	73%	0.73	78%	0.776	S	S	*	*			trans	-62.2	146.2	-170.9	-25.3	0	0	0	0	117.7
27	N	42.2	Very low	41.4	Very low	159 Å²	159	148.6 Å²	148.6	85%	0.85	78%	0.779	S	S	*	*				171.5	137.2	129	-91.4	-34.5	0	0	0	114.6
28	T	44.7	Very low	40.5	Very low	132 Å²	132	151.2 Å²	151.2	81%	0.81	78%	0.78	S	S	*	*			trans	-82.6	-172	179.4	40.2	0	0	0	0	113.1
29	P	42.1	Very low	39.8	Very low	112 Å²	112	152.2 Å²	152.2	73%	0.727	79%	0.788	S	S	*	*				-122.8	141.4	-79.6	35	-17.6	0	0	0	112.4
30	K	41.6	Very low	39.3	Very low	207 Å²	207	155 Å²	155	90%	0.9	79%	0.794	S	S	*	*			trans	-144.5	123.7	168.3	-79.7	-172.2	178	173.1	0	113.5	K32	K30-K32 PolarHBondContact O-N 2.8Å
31	K	34.7	Very low	38.7	Very low	213 Å²	213	155.8 Å²	155.8	93%	0.926	80%	0.802	S	S	*	*			trans	-13.5	120.7	153.9	-94.1	173.2	166.6	176.8	0	113.8
32	K	39.9	Very low	38.3	Very low	197 Å²	197	153.2 Å²	153.2	86%	0.857	80%	0.801	S	S	*	*			trans	-147.8	103.3	156.8	-110.5	177.4	-178	178.4	0	111	K30 S34	K30-K32 PolarHBondContact O-N 2.8Å; K32-S34 PolarHBondContact O-N 2.83Å
33	E	32.2	Very low	38	Very low	191 Å²	191	158 Å²	158	89%	0.893	81%	0.813	S	S	*	*			trans	-6	102	147.2	-63.3	168.8	160.5	0	0	115.5
34	S	35.6	Very low	37.7	Very low	112 Å²	112	157.7 Å²	157.7	78%	0.783	82%	0.816	S	S	*	*			trans	-94.7	100.8	162.5	43.5	0	0	0	0	108.8	K32 V36	K32-S34 PolarHBondContact O-N 2.83Å; S34-V36 PolarHBondContact O-N 2.91Å
35	K	34.1	Very low	37.4	Very low	205 Å²	205	154.1 Å²	154.1	89%	0.891	81%	0.805	S	S	*	*			trans	-40.2	114.1	173.5	-69.6	171	173.6	174.1	0	112	S37	K35-S37 PolarHBondContact O-N 3.34Å; K35-S37 VanDerWaalsContact O-N 3.16Å
36	V	35.7	Very low	37.1	Very low	140 Å²	140	151.6 Å²	151.6	85%	0.848	80%	0.804	S	S	*	*			trans	-69	107.8	161.2	177.3	0	0	0	0	107.1	S34 M38	S34-V36 PolarHBondContact O-N 2.91Å; V36-M38 PolarHBondContact O-N 3.23Å
37	S	31.3	Very low	37.4	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	80%	0.801	S	S	*	*			trans	-66.2	113	174.6	177.9	0	0	0	0	109.5	K35 S39	K35-S37 PolarHBondContact O-N 3.34Å; K35-S37 VanDerWaalsContact O-N 3.16Å; S37-S39 PolarHBondContact O-N 3.34Å; S37-S39 VanDerWaalsContact O-N 3.14Å
38	M	33.9	Very low	38	Very low	166 Å²	166	144.5 Å²	144.5	82%	0.818	77%	0.768	S	S	*	*			trans	-63.2	106.6	173.3	-74.9	-176.4	-82.5	0	0	110.7	V36 K40	V36-M38 PolarHBondContact O-N 3.23Å; M38-K40 PolarHBondContact O-N 3.04Å; M38-K40 VanDerWaalsContact O-N 3.08Å
39	S	37.2	Very low	38.7	Very low	115 Å²	115	141 Å²	141	80%	0.804	75%	0.752	S	S	*	*			trans	-69.6	100.2	164.9	-58	0	0	0	0	109.3	S37 N41	S37-S39 PolarHBondContact O-N 3.34Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S39-N41 VanDerWaalsContact C-N 3.29Å; S39-N41 PolarHBondContact O-N 2.64Å
40	K	36.9	Very low	40.3	Very low	191 Å²	191	138.8 Å²	138.8	83%	0.83	73%	0.731	S	S	*	*			trans	-67	77.8	173.7	-69.5	172.2	176.6	171.9	0	110.9	M38	M38-K40 PolarHBondContact O-N 3.04Å; M38-K40 VanDerWaalsContact O-N 3.08Å
41	N	36.5	Very low	42.6	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	71%	0.712	S	S	*	*			trans	-121.3	24.5	167.3	-99.1	17.2	0	0	0	113.1	S39 K43	S39-N41 VanDerWaalsContact C-N 3.29Å; S39-N41 PolarHBondContact O-N 2.64Å; N41-K43 PolarHBondContact O-N 3.32Å
42	S	37.2	Very low	45.4	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	7.3	179.2	54.8	0	0	0	0	115.4
43	K	36.9	Very low	48	Very low	207 Å²	207	115.8 Å²	115.8	90%	0.9	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	3.4	-178.7	-103.5	-177	-179.2	-177.4	0	115.7	N41	N41-K43 PolarHBondContact O-N 3.32Å
44	L	37	Very low	51	Low	156 Å²	156	110 Å²	110	82%	0.817	63%	0.633	S	S	*	*	S	Bend	trans	-108.2	9.1	179.4	-115	118.3	0	0	0	115.2	S46	L44-S46 VanDerWaalsContact C-N 3.26Å; L44-S46 PolarHBondContact O-N 3.09Å
45	L	36.4	Very low	53.8	Low	103 Å²	103	108.6 Å²	108.6	54%	0.539	61%	0.613	S	S	.	*			trans	-87.3	15.9	179	-68.7	167.5	0	0	0	113.8
46	S	36.6	Very low	56.7	Low	106 Å²	106	101 Å²	101	74%	0.741	59%	0.593	S	S	*	*	S	Bend	trans	-85.6	-10	-163	-171.3	0	0	0	0	116.9	L44	L44-S46 VanDerWaalsContact C-N 3.26Å; L44-S46 PolarHBondContact O-N 3.09Å
47	T	42.6	Very low	59.5	Low	108 Å²	108	102.5 Å²	102.5	66%	0.663	60%	0.596	S	S	*	*			trans	-144.1	29.7	-171	61.5	0	0	0	0	116.6	A49	T47-A49 PolarHBondContact O-N 3.15Å
48	S	54.5	Low	62.5	Low	21 Å²	21	101 Å²	101	15%	0.147	58%	0.58	C	S	.	*			trans	-70.5	102.3	155	-34.6	0	0	0	0	106.2	K50	S48-K50 WeakPolarHBondContact O-CG 3.44Å; S48-K50 PolarHBondContact O-N 3.18Å
49	A	59	Low	65.4	Low	59 Å²	59	98.4 Å²	98.4	49%	0.488	57%	0.568	S	S	.	*			trans	-60.5	109.2	173.4	0	0	0	0	0	107.4	T47 L67	T47-A49 PolarHBondContact O-N 3.15Å; A49-L67 HydrophobicContact CB-CD1 3.61Å; A49-L67 HydrophobicContact CB-CG 4.07Å; A49-L67 PolarHBondContact O-N 3.27Å
50	K	76.4	Confident	68.3	Low	64 Å²	64	98 Å²	98	28%	0.278	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.1	175.3	-62.9	166.2	-160.6	103.8	0	105.7	S48 T65 L132 C136	S48-K50 WeakPolarHBondContact O-CG 3.44Å; S48-K50 PolarHBondContact O-N 3.18Å; K50-T65 WeakPolarHBondContact CA-O 3.44Å; K50-L132 HydrophobicContact CB-CD1 4.48Å; K50-L132 HydrophobicContact CD-CB 4.02Å; K50-L132 HydrophobicContact CG-CB 4.48Å; K50-C136 WeakPolarHBondContact CE-SG 3.49Å
51	S	90	Very high	71.2	Confident	71 Å²	71	92.6 Å²	92.6	50%	0.497	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.8	169.1	62.6	0	0	0	0	108.8	S64 T65	S51-S64 CarbonylContact O-C 3.56Å; S51-S64 WeakPolarHBondContact O-CA 3.46Å; S51-S64 VanDerWaalsContact O-CB 3.27Å; S51-S64 WeakPolarHBondContact O-CB 3.31Å; S51-S64 PolarHBondContact O-OG 3.08Å; S51-T65 PolarHBondContact N-O 3.32Å; S51-T65 VanDerWaalsContact N-O 3.15Å; S51-T65 PolarHBondContact O-N 2.99Å
52	A	92.9	Very high	74.1	Confident	42 Å²	42	89 Å²	89	35%	0.347	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	141.3	170.8	0	0	0	0	0	109.6	W62 R63 I83 I128 L132	A52-W62 HydrophobicContact CB-CE3 4Å; A52-W62 HydrophobicContact CB-CZ3 4.37Å; A52-R63 VanDerWaalsContact CA-O 3.3Å; A52-R63 WeakPolarHBondContact CA-O 3.41Å; A52-I83 HydrophobicContact CB-CD1 4.46Å; A52-I128 HydrophobicContact CB-CG2 4.13Å; A52-L132 HydrophobicContact CB-CD1 3.83Å
53	G	94.3	Very high	76.9	Confident	22 Å²	22	88.9 Å²	88.9	23%	0.227	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	170.3	175.6	0	0	0	0	0	112.6	W62 R63	G53-W62 CarbonylContact O-C 3.51Å; G53-W62 WeakPolarHBondContact O-CA 3.47Å; G53-W62 VanDerWaalsContact O-CB 3.3Å; G53-W62 WeakPolarHBondContact O-CB 3.36Å; G53-R63 PolarHBondContact N-O 3.32Å; G53-R63 PolarHBondContact O-N 2.8Å
54	P	96.5	Very high	79.8	Confident	70 Å²	70	79 Å²	79	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	143	178.5	-23.6	33	0	0	0	112.4	G56 E61	P54-G56 VanDerWaalsContact C-N 3.25Å; P54-G56 WeakPolarHBondContact CB-O 3.5Å; P54-G56 PolarHBondContact O-N 3.2Å; P54-E61 CarbonylContact C-O 3.26Å; P54-E61 WeakPolarHBondContact CA-O 3.41Å
55	K	93.6	Very high	82.6	Confident	82 Å²	82	73 Å²	73	36%	0.357	41%	0.414	S	S	.	.	S	Bend	trans	-73.8	-19	175.2	-64.8	179.7	-165	171.1	0	112.9	E61 W62 R63 D82	K55-E61 HydrophobicContact CD-CB 4.25Å; K55-E61 PolarHBondContact N-O 2.82Å; K55-E61 IonicContact NZ-OE2 2.67Å; K55-W62 WeakPolarHBondContact CE-O 3.4Å; K55-R63 HydrophobicContact CG-CB 4Å; K55-D82 WeakPolarHBondContact CE-OD1 3.23Å; K55-D82 IonicContact NZ-OD1 3.93Å; K55-D82 PolarHBondContact NZ-OD1 2.9Å
56	G	94.5	Very high	85.4	Confident	45 Å²	45	68.1 Å²	68.1	46%	0.464	39%	0.388	S	S	.	.	S	Bend	trans	177.8	-146.1	-175.7	0	0	0	0	0	108.8	P54 N58	P54-G56 VanDerWaalsContact C-N 3.25Å; P54-G56 WeakPolarHBondContact CB-O 3.5Å; P54-G56 PolarHBondContact O-N 3.2Å; G56-N58 VanDerWaalsContact C-N 3.25Å; G56-N58 PolarHBondContact O-N 3.11Å
57	D	95.5	Very high	88.2	Confident	171 Å²	171	66.1 Å²	66.1	91%	0.914	37%	0.369	S	S	*	.	S	Bend	trans	-68.3	-23.9	-175.4	-57.2	-28.8	0	0	0	113.7	I59	D57-I59 PolarHBondContact O-N 3.44Å; D57-I59 VanDerWaalsContact O-N 3.09Å
58	N	94.9	Very high	90.8	Very high	73 Å²	73	61.4 Å²	61.4	39%	0.39	34%	0.341	S	S	.	.			trans	-75.6	98.8	175.8	-174.2	2.9	0	0	0	111.1	G56 Y60 E61	G56-N58 VanDerWaalsContact C-N 3.25Å; G56-N58 PolarHBondContact O-N 3.11Å; N58-Y60 PolarHBondContact O-N 3.24Å; N58-Y60 VanDerWaalsContact O-N 3.13Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.31Å; N58-Y60 PolarHBondContact OD1-N 3.44Å; N58-E61 PolarHBondContact ND2-OE1 2.97Å; N58-E61 PolarHBondContact O-N 2.92Å; N58-E61 VanDerWaalsContact O-N 3.09Å
59	I	94.9	Very high	92.7	Very high	112 Å²	112	60.7 Å²	60.7	57%	0.574	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.2	178.3	64.9	165.4	0	0	0	114.2	D57 E61 W62	D57-I59 PolarHBondContact O-N 3.44Å; D57-I59 VanDerWaalsContact O-N 3.09Å; I59-E61 VanDerWaalsContact C-N 3.3Å; I59-W62 VanDerWaalsContact O-CD1 3.23Å; I59-W62 PolarHBondContact O-NE1 3.46Å
60	Y	96.5	Very high	94.3	Very high	107 Å²	107	62 Å²	62	42%	0.42	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.9	176.1	-64.8	-90.9	0	0	0	112.9	N58 T84 F85	N58-Y60 PolarHBondContact O-N 3.24Å; N58-Y60 VanDerWaalsContact O-N 3.13Å; N58-Y60 WeakPolarHBondContact OD1-CB 3.31Å; N58-Y60 PolarHBondContact OD1-N 3.44Å; Y60-T84 WeakPolarHBondContact O-CA 3.46Å; Y60-F85 HydrophobicContact CD1-CB 3.86Å; Y60-F85 WeakPolarHBondContact O-CD2 3.38Å; Y60-F85 PolarHBondContact O-N 3.08Å
61	E	97.4	Very high	95.1	Very high	76 Å²	76	62.2 Å²	62.2	36%	0.355	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.6	178.2	-76	-168	-138.8	0	0	111.5	P54 K55 N58 I59	P54-E61 CarbonylContact C-O 3.26Å; P54-E61 WeakPolarHBondContact CA-O 3.41Å; K55-E61 HydrophobicContact CD-CB 4.25Å; K55-E61 PolarHBondContact N-O 2.82Å; K55-E61 IonicContact NZ-OE2 2.67Å; N58-E61 PolarHBondContact ND2-OE1 2.97Å; N58-E61 PolarHBondContact O-N 2.92Å; N58-E61 VanDerWaalsContact O-N 3.09Å; I59-E61 VanDerWaalsContact C-N 3.3Å
62	W	97.8	Very high	95.3	Very high	71 Å²	71	59.5 Å²	59.5	27%	0.269	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.9	-179.5	-73.1	28.5	0	0	0	111.2	A52 G53 K55 I59 I83 F85 I128	A52-W62 HydrophobicContact CB-CE3 4Å; A52-W62 HydrophobicContact CB-CZ3 4.37Å; G53-W62 CarbonylContact O-C 3.51Å; G53-W62 WeakPolarHBondContact O-CA 3.47Å; G53-W62 VanDerWaalsContact O-CB 3.3Å; G53-W62 WeakPolarHBondContact O-CB 3.36Å; K55-W62 WeakPolarHBondContact CE-O 3.4Å; I59-W62 VanDerWaalsContact O-CD1 3.23Å; I59-W62 PolarHBondContact O-NE1 3.46Å; W62-I83 HydrophobicContact CB-CB 3.99Å; W62-I83 HydrophobicContact CB-CG2 4.46Å; W62-I83 PolarHBondContact N-O 3.25Å; W62-I83 PolarHBondContact O-N 3.04Å; W62-F85 HydrophobicContact CB-CE2 4.22Å; W62-F85 AromaticContact CD1-CE2 3.62Å; W62-F85 AromaticContact CD2-CE2 3.71Å; W62-F85 HydrophobicContact CD2-CE2 3.71Å; W62-F85 HydrophobicContact CD2-CZ 4.07Å; W62-F85 AromaticContact CE2-CE2 3.78Å; W62-F85 HydrophobicContact CE3-CE2 4.38Å; W62-F85 HydrophobicContact CE3-CZ 4.31Å; W62-F85 AromaticContact CG-CE2 3.63Å; W62-F85 HydrophobicContact CG-CE2 3.63Å; W62-F85 HydrophobicContact CG-CZ 4.4Å; W62-F85 HydrophobicContact CZ2-CE2 4.5Å; W62-F85 AromaticContact NE1-CE2 3.67Å; W62-I128 HydrophobicContact CE3-CG2 4.47Å; W62-I128 HydrophobicContact CZ3-CB 4.49Å; W62-I128 HydrophobicContact CZ3-CG1 4.37Å; W62-I128 HydrophobicContact CZ3-CG2 4.38Å
63	R	96.9	Very high	95.5	Very high	100 Å²	100	58.2 Å²	58.2	38%	0.377	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.5	164.1	-178.9	171	-67.5	164	9.7	108.6	A52 G53 K55 L81 D82	A52-R63 VanDerWaalsContact CA-O 3.3Å; A52-R63 WeakPolarHBondContact CA-O 3.41Å; G53-R63 PolarHBondContact N-O 3.32Å; G53-R63 PolarHBondContact O-N 2.8Å; K55-R63 HydrophobicContact CG-CB 4Å; R63-L81 WeakPolarHBondContact CA-O 3.47Å; R63-D82 IonicContact NE-OD1 3.48Å
64	S	96.8	Very high	95.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.4	171.9	179.9	0	0	0	0	111.4	S51 F80 L81 L132	S51-S64 CarbonylContact O-C 3.56Å; S51-S64 WeakPolarHBondContact O-CA 3.46Å; S51-S64 VanDerWaalsContact O-CB 3.27Å; S51-S64 WeakPolarHBondContact O-CB 3.31Å; S51-S64 PolarHBondContact O-OG 3.08Å; S64-F80 WeakPolarHBondContact O-CA 3.42Å; S64-L81 PolarHBondContact N-O 3.42Å; S64-L81 PolarHBondContact O-N 2.97Å; S64-L132 WeakPolarHBondContact OG-CD1 3.1Å; S64-L132 VanDerWaalsContact OG-CD2 3.3Å; S64-L132 WeakPolarHBondContact OG-CD2 3.27Å
65	T	96.5	Very high	95.6	Very high	30 Å²	30	59.4 Å²	59.4	18%	0.184	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.5	170.2	-59.7	0	0	0	0	109.1	K50 S51 V78 F79 F80	K50-T65 WeakPolarHBondContact CA-O 3.44Å; S51-T65 PolarHBondContact N-O 3.32Å; S51-T65 VanDerWaalsContact N-O 3.15Å; S51-T65 PolarHBondContact O-N 2.99Å; T65-V78 HydrophobicContact CG2-CG1 3.52Å; T65-F79 WeakPolarHBondContact CA-O 3.27Å; T65-F80 HydrophobicContact CG2-CE1 4.35Å; T65-F80 WeakPolarHBondContact OG1-CD1 3.35Å; T65-F80 WeakPolarHBondContact OG1-CE1 3.42Å
66	I	96	Very high	95.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.3	172.4	-69.4	178	0	0	0	108	F79 L81 L132 I135 C136 L139	I66-F79 PolarHBondContact N-O 2.91Å; I66-F79 PolarHBondContact O-N 3.42Å; I66-L81 HydrophobicContact CB-CD1 4.06Å; I66-L81 HydrophobicContact CD1-CD1 3.68Å; I66-L81 HydrophobicContact CD1-CD2 4Å; I66-L81 HydrophobicContact CG1-CD1 3.78Å; I66-L132 HydrophobicContact CD1-CD2 4.01Å; I66-L132 HydrophobicContact CG1-CD2 4.4Å; I66-I135 HydrophobicContact CD1-CB 4.13Å; I66-I135 HydrophobicContact CD1-CG2 3.64Å; I66-C136 WeakPolarHBondContact CG2-SG 3.3Å; I66-L139 HydrophobicContact CG2-CD1 3.96Å
67	L	95.6	Very high	95.8	Very high	65 Å²	65	56.3 Å²	56.3	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138	166.7	-59.1	-175.2	0	0	0	110.3	A49 V78	A49-L67 HydrophobicContact CB-CD1 3.61Å; A49-L67 HydrophobicContact CB-CG 4.07Å; A49-L67 PolarHBondContact O-N 3.27Å; L67-V78 HydrophobicContact CD2-CG1 4.43Å; L67-V78 HydrophobicContact CD2-CG2 3.94Å
68	G	95.5	Very high	95.9	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-55.3	126.7	172.8	0	0	0	0	0	111.6	Y74 G77	G68-Y74 VanDerWaalsContact CA-O 3.31Å; G68-Y74 WeakPolarHBondContact CA-O 3.41Å; G68-G77 PolarHBondContact N-O 2.92Å
69	P	94.6	Very high	96	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.039	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.3	135.6	-178.4	-25.5	33.9	0	0	0	112	S72 L139 T140	P69-S72 VanDerWaalsContact O-CB 3.31Å; P69-S72 WeakPolarHBondContact O-CB 3.46Å; P69-S72 PolarHBondContact O-N 3.31Å; P69-S72 VanDerWaalsContact O-N 3.15Å; P69-S72 PolarHBondContact O-OG 2.77Å; P69-L139 HydrophobicContact CG-CB 4.15Å; P69-T140 WeakPolarHBondContact CG-OG1 3.4Å
70	P	93.2	Very high	96.2	Very high	87 Å²	87	45.8 Å²	45.8	57%	0.565	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.7	173.4	-23	33.2	0	0	0	111.4	S72	P70-S72 PolarHBondContact O-N 3.29Å
71	G	92.1	Very high	96.2	Very high	69 Å²	69	40.7 Å²	40.7	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	-4.4	-176.6	0	0	0	0	0	115	E75	G71-E75 WeakPolarHBondContact CA-OE2 3.35Å; G71-E75 PolarHBondContact N-OE2 2.91Å
72	S	94.9	Very high	96.2	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.091	23%	0.226	C	C	.	.	S	Bend	trans	-88.4	169	174.6	77.5	0	0	0	0	112.1	P69 P70 Y74 E75	P69-S72 VanDerWaalsContact O-CB 3.31Å; P69-S72 WeakPolarHBondContact O-CB 3.46Å; P69-S72 PolarHBondContact O-N 3.31Å; P69-S72 VanDerWaalsContact O-N 3.15Å; P69-S72 PolarHBondContact O-OG 2.77Å; P70-S72 PolarHBondContact O-N 3.29Å; S72-Y74 PolarHBondContact O-N 3.46Å; S72-Y74 WeakPolarHBondContact OG-CB 3.4Å; S72-Y74 PolarHBondContact OG-N 2.73Å; S72-Y74 VanDerWaalsContact OG-N 3.09Å; S72-E75 WeakPolarHBondContact O-CB 3.36Å; S72-E75 PolarHBondContact O-N 3.49Å; S72-E75 PolarHBondContact OG-N 3.42Å
73	V	97	Very high	96.2	Very high	15 Å²	15	35 Å²	35	9%	0.091	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.6	169.1	-63.2	0	0	0	0	113.3	D164 A167 R168 T171	V73-D164 HydrophobicContact CG1-CB 3.68Å; V73-D164 VanDerWaalsContact CG1-CG 3.43Å; V73-D164 WeakPolarHBondContact CG1-OD1 3.2Å; V73-A167 HydrophobicContact CB-CB 3.68Å; V73-A167 HydrophobicContact CG1-CB 4.31Å; V73-A167 HydrophobicContact CG2-CB 3.49Å; V73-A167 VanDerWaalsContact CG2-CB 3.49Å; V73-R168 HydrophobicContact CB-CG 4.08Å; V73-R168 HydrophobicContact CG1-CG 4.41Å; V73-T171 PolarHBondContact O-OG1 2.99Å; V73-T171 VanDerWaalsContact O-OG1 3.08Å
74	Y	97.5	Very high	96.3	Very high	6 Å²	6	32.9 Å²	32.9	2%	0.024	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-3.7	-179.7	-50.6	-62.5	0	0	0	112.9	G68 S72 G76 G77 F79 I102 Y103 H104 L139 A167 T171	G68-Y74 VanDerWaalsContact CA-O 3.31Å; G68-Y74 WeakPolarHBondContact CA-O 3.41Å; S72-Y74 PolarHBondContact O-N 3.46Å; S72-Y74 WeakPolarHBondContact OG-CB 3.4Å; S72-Y74 PolarHBondContact OG-N 2.73Å; S72-Y74 VanDerWaalsContact OG-N 3.09Å; Y74-G76 PolarHBondContact O-N 3.39Å; Y74-G77 PolarHBondContact O-N 2.97Å; Y74-F79 HydrophobicContact CD1-CZ 4.03Å; Y74-F79 HydrophobicContact CG-CZ 4.28Å; Y74-I102 HydrophobicContact CD1-CD1 3.83Å; Y74-I102 HydrophobicContact CD1-CG1 3.97Å; Y74-I102 HydrophobicContact CE1-CD1 3.69Å; Y74-I102 HydrophobicContact CE1-CG1 3.57Å; Y74-I102 HydrophobicContact CG-CD1 4.4Å; Y74-Y103 WeakPolarHBondContact CE1-O 3.4Å; Y74-Y103 PolarHBondContact OH-O 3.5Å; Y74-H104 AromaticContact CZ-CD2 3.86Å; Y74-H104 PolarHBondContact OH-CD2 3.3Å; Y74-L139 HydrophobicContact CD2-CB 4.03Å; Y74-L139 HydrophobicContact CD2-CD2 4.39Å; Y74-L139 VanDerWaalsContact CD2-O 3.23Å; Y74-L139 WeakPolarHBondContact CD2-O 3.5Å; Y74-L139 HydrophobicContact CE2-CB 4.33Å; Y74-L139 HydrophobicContact CE2-CD2 4.29Å; Y74-L139 WeakPolarHBondContact CE2-O 3.49Å; Y74-A167 HydrophobicContact CE1-CB 4.3Å; Y74-T171 WeakPolarHBondContact O-CG2 3.3Å
75	E	96	Very high	96.3	Very high	112 Å²	112	33.7 Å²	33.7	52%	0.523	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	136.4	-179.7	-178.8	170.4	-173.3	0	0	112.2	G71 S72 G77	G71-E75 WeakPolarHBondContact CA-OE2 3.35Å; G71-E75 PolarHBondContact N-OE2 2.91Å; S72-E75 WeakPolarHBondContact O-CB 3.36Å; S72-E75 PolarHBondContact O-N 3.49Å; S72-E75 PolarHBondContact OG-N 3.42Å; E75-G77 PolarHBondContact O-N 3.44Å
76	G	95.6	Very high	96.2	Very high	60 Å²	60	34.3 Å²	34.3	62%	0.619	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-10.7	-175.7	0	0	0	0	0	114.8	Y74	Y74-G76 PolarHBondContact O-N 3.39Å
77	G	97	Very high	96.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	25%	0.252	C	S	.	.			trans	-77.7	147.7	175.9	0	0	0	0	0	113.9	G68 Y74 E75 A175	G68-G77 PolarHBondContact N-O 2.92Å; Y74-G77 PolarHBondContact O-N 2.97Å; E75-G77 PolarHBondContact O-N 3.44Å; G77-A175 CarbonylContact C-O 3.59Å; G77-A175 WeakPolarHBondContact CA-O 3.35Å
78	V	97.3	Very high	96.3	Very high	52 Å²	52	39.9 Å²	39.9	32%	0.315	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.6	172.3	-175	0	0	0	0	108.5	T65 L67 F80 A175	T65-V78 HydrophobicContact CG2-CG1 3.52Å; L67-V78 HydrophobicContact CD2-CG1 4.43Å; L67-V78 HydrophobicContact CD2-CG2 3.94Å; V78-F80 HydrophobicContact CG1-CE1 4.39Å; V78-F80 HydrophobicContact CG1-CE2 4.39Å; V78-F80 HydrophobicContact CG1-CZ 4.03Å; V78-A175 PolarHBondContact N-O 2.91Å
79	F	97.8	Very high	96.3	Very high	1 Å²	1	43 Å²	43	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.2	-176	-58.1	-87.9	0	0	0	110.1	T65 I66 Y74 L81 F98 T100 I102 T171 A175	T65-F79 WeakPolarHBondContact CA-O 3.27Å; I66-F79 PolarHBondContact N-O 2.91Å; I66-F79 PolarHBondContact O-N 3.42Å; Y74-F79 HydrophobicContact CD1-CZ 4.03Å; Y74-F79 HydrophobicContact CG-CZ 4.28Å; F79-L81 HydrophobicContact CB-CD1 4.49Å; F79-F98 HydrophobicContact CB-CD1 4.27Å; F79-F98 HydrophobicContact CB-CE1 3.85Å; F79-F98 HydrophobicContact CD1-CD1 4.45Å; F79-F98 HydrophobicContact CD1-CE1 4.2Å; F79-F98 HydrophobicContact CG-CE1 4.19Å; F79-T100 HydrophobicContact CD1-CG2 3.8Å; F79-T100 HydrophobicContact CE1-CG2 4.35Å; F79-I102 HydrophobicContact CD1-CB 4.43Å; F79-I102 HydrophobicContact CD1-CD1 4.04Å; F79-I102 HydrophobicContact CD1-CG1 4.45Å; F79-I102 HydrophobicContact CE1-CB 4.17Å; F79-I102 HydrophobicContact CE1-CD1 3.7Å; F79-I102 HydrophobicContact CE1-CG1 3.88Å; F79-I102 HydrophobicContact CZ-CD1 4.19Å; F79-T171 HydrophobicContact CZ-CG2 4.2Å; F79-A175 HydrophobicContact CD1-CB 4.05Å; F79-A175 HydrophobicContact CE1-CB 3.63Å; F79-A175 HydrophobicContact CE2-CB 4.34Å; F79-A175 HydrophobicContact CZ-CB 3.79Å
80	F	97.3	Very high	96.3	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.36	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137	173.2	-61	-71.4	0	0	0	110.2	S64 T65 V78 R99 T100	S64-F80 WeakPolarHBondContact O-CA 3.42Å; T65-F80 HydrophobicContact CG2-CE1 4.35Å; T65-F80 WeakPolarHBondContact OG1-CD1 3.35Å; T65-F80 WeakPolarHBondContact OG1-CE1 3.42Å; V78-F80 HydrophobicContact CG1-CE1 4.39Å; V78-F80 HydrophobicContact CG1-CE2 4.39Å; V78-F80 HydrophobicContact CG1-CZ 4.03Å; F80-R99 HydrophobicContact CB-CB 4.22Å; F80-R99 WeakPolarHBondContact O-CA 3.44Å; F80-R99 WeakPolarHBondContact O-CB 3.46Å; F80-R99 PolarHBondContact O-N 3.49Å; F80-T100 PolarHBondContact N-OG1 3.07Å; F80-T100 PolarHBondContact O-N 3.22Å
81	L	98.1	Very high	96.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.7	175.5	-62.6	84.7	0	0	0	108.9	R63 S64 I66 F79 V96 T97 F98 I113 I135	R63-L81 WeakPolarHBondContact CA-O 3.47Å; S64-L81 PolarHBondContact N-O 3.42Å; S64-L81 PolarHBondContact O-N 2.97Å; I66-L81 HydrophobicContact CB-CD1 4.06Å; I66-L81 HydrophobicContact CD1-CD1 3.68Å; I66-L81 HydrophobicContact CD1-CD2 4Å; I66-L81 HydrophobicContact CG1-CD1 3.78Å; F79-L81 HydrophobicContact CB-CD1 4.49Å; L81-V96 HydrophobicContact CB-CG1 4.47Å; L81-V96 HydrophobicContact CD2-CG1 3.82Å; L81-T97 CarbonylContact C-O 3.02Å; L81-T97 VanDerWaalsContact CA-O 3.27Å; L81-T97 WeakPolarHBondContact CA-O 3.06Å; L81-F98 HydrophobicContact CD1-CE1 4.3Å; L81-F98 HydrophobicContact CD1-CZ 4.43Å; L81-F98 HydrophobicContact CD2-CD2 3.98Å; L81-F98 HydrophobicContact CD2-CE2 3.72Å; L81-F98 HydrophobicContact CD2-CG 4.5Å; L81-F98 HydrophobicContact CD2-CZ 4.03Å; L81-F98 HydrophobicContact CG-CD1 4.36Å; L81-F98 HydrophobicContact CG-CD2 4.28Å; L81-F98 HydrophobicContact CG-CE1 4.4Å; L81-F98 HydrophobicContact CG-CE2 4.32Å; L81-F98 HydrophobicContact CG-CG 4.3Å; L81-F98 HydrophobicContact CG-CZ 4.38Å; L81-I113 HydrophobicContact CD2-CD1 4.32Å; L81-I135 HydrophobicContact CD2-CD1 4.01Å; L81-I135 HydrophobicContact CD2-CG2 4.32Å
82	D	97.4	Very high	96.6	Very high	27 Å²	27	50 Å²	50	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.8	168	-71.8	-51.3	0	0	0	108.3	K55 R63 V96 T97 R99	K55-D82 WeakPolarHBondContact CE-OD1 3.23Å; K55-D82 IonicContact NZ-OD1 3.93Å; K55-D82 PolarHBondContact NZ-OD1 2.9Å; R63-D82 IonicContact NE-OD1 3.48Å; D82-V96 WeakPolarHBondContact O-CA 3.18Å; D82-T97 PolarHBondContact N-O 2.81Å; D82-T97 PolarHBondContact O-N 3.46Å; D82-R99 IonicContact OD2-NH1 2.87Å
83	I	97.8	Very high	96.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.1	179.3	-58.5	169.7	0	0	0	107.2	A52 W62 F85 P94 K95 V96 I128 L132	A52-I83 HydrophobicContact CB-CD1 4.46Å; W62-I83 HydrophobicContact CB-CB 3.99Å; W62-I83 HydrophobicContact CB-CG2 4.46Å; W62-I83 PolarHBondContact N-O 3.25Å; W62-I83 PolarHBondContact O-N 3.04Å; I83-F85 HydrophobicContact CG2-CE1 4.43Å; I83-F85 HydrophobicContact CG2-CE2 3.92Å; I83-F85 HydrophobicContact CG2-CZ 3.91Å; I83-P94 HydrophobicContact CG2-CB 4.02Å; I83-K95 CarbonylContact C-O 3.56Å; I83-K95 WeakPolarHBondContact CA-O 3.36Å; I83-V96 HydrophobicContact CG1-CG1 4.16Å; I83-V96 HydrophobicContact CG1-CG2 4.21Å; I83-V96 HydrophobicContact CG2-CG2 4.37Å; I83-I128 HydrophobicContact CD1-CG2 3.94Å; I83-I128 HydrophobicContact CG2-CD1 4.03Å; I83-L132 HydrophobicContact CD1-CD2 4.41Å
84	T	97.8	Very high	96.7	Very high	55 Å²	55	50.7 Å²	50.7	34%	0.337	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.5	177	-55.9	0	0	0	0	109.5	Y60 P94 K95	Y60-T84 WeakPolarHBondContact O-CA 3.46Å; T84-P94 CarbonylContact O-C 3.58Å; T84-P94 WeakPolarHBondContact O-CA 3.5Å; T84-K95 PolarHBondContact N-O 3.01Å; T84-K95 PolarHBondContact O-N 2.67Å
85	F	97.4	Very high	96.7	Very high	17 Å²	17	57 Å²	57	8%	0.075	30%	0.301	C	S	.	.			trans	-91.8	139	174.9	-58.9	-86.3	0	0	0	109.7	Y60 W62 I83 Y89 P94 I128	Y60-F85 HydrophobicContact CD1-CB 3.86Å; Y60-F85 WeakPolarHBondContact O-CD2 3.38Å; Y60-F85 PolarHBondContact O-N 3.08Å; W62-F85 HydrophobicContact CB-CE2 4.22Å; W62-F85 AromaticContact CD1-CE2 3.62Å; W62-F85 AromaticContact CD2-CE2 3.71Å; W62-F85 HydrophobicContact CD2-CE2 3.71Å; W62-F85 HydrophobicContact CD2-CZ 4.07Å; W62-F85 AromaticContact CE2-CE2 3.78Å; W62-F85 HydrophobicContact CE3-CE2 4.38Å; W62-F85 HydrophobicContact CE3-CZ 4.31Å; W62-F85 AromaticContact CG-CE2 3.63Å; W62-F85 HydrophobicContact CG-CE2 3.63Å; W62-F85 HydrophobicContact CG-CZ 4.4Å; W62-F85 HydrophobicContact CZ2-CE2 4.5Å; W62-F85 AromaticContact NE1-CE2 3.67Å; I83-F85 HydrophobicContact CG2-CE1 4.43Å; I83-F85 HydrophobicContact CG2-CE2 3.92Å; I83-F85 HydrophobicContact CG2-CZ 3.91Å; F85-Y89 AromaticContact CD1-CD1 3.91Å; F85-Y89 HydrophobicContact CD1-CD1 3.91Å; F85-Y89 AromaticContact CD1-CD2 3.56Å; F85-Y89 HydrophobicContact CD1-CD2 3.56Å; F85-Y89 HydrophobicContact CD1-CE1 4.09Å; F85-Y89 AromaticContact CD1-CE2 3.73Å; F85-Y89 HydrophobicContact CD1-CE2 3.73Å; F85-Y89 AromaticContact CD1-CG 3.64Å; F85-Y89 HydrophobicContact CD1-CG 3.64Å; F85-Y89 AromaticContact CD1-CZ 3.99Å; F85-Y89 HydrophobicContact CE1-CD1 4.34Å; F85-Y89 HydrophobicContact CE1-CD2 4.1Å; F85-Y89 HydrophobicContact CE1-CE1 4.04Å; F85-Y89 AromaticContact CE1-CE2 3.75Å; F85-Y89 HydrophobicContact CE1-CE2 3.75Å; F85-Y89 HydrophobicContact CE1-CG 4.36Å; F85-Y89 AromaticContact CE1-CZ 3.73Å; F85-P94 HydrophobicContact CD1-CB 3.9Å; F85-P94 HydrophobicContact CE1-CB 4.03Å; F85-I128 HydrophobicContact CE1-CD1 3.61Å; F85-I128 HydrophobicContact CE1-CG1 3.85Å; F85-I128 HydrophobicContact CZ-CD1 3.69Å; F85-I128 HydrophobicContact CZ-CG1 3.63Å
86	T	95.3	Very high	96.8	Very high	44 Å²	44	52.1 Å²	52.1	27%	0.27	28%	0.278	S	S	.	.			trans	-83.9	160.8	167.1	81.3	0	0	0	0	109.6	E88 Y89	T86-E88 WeakPolarHBondContact CB-OE2 3.46Å; T86-E88 PolarHBondContact O-N 3.14Å; T86-E88 PolarHBondContact OG1-N 3.03Å; T86-E88 PolarHBondContact OG1-OE2 2.97Å; T86-Y89 WeakPolarHBondContact O-CB 3.35Å; T86-Y89 PolarHBondContact O-N 3.24Å
87	P	95.8	Very high	96.9	Very high	104 Å²	104	50.8 Å²	50.8	68%	0.675	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.8	172.6	-26.2	36.3	0	0	0	114
88	E	96.1	Very high	96.9	Very high	78 Å²	78	51.1 Å²	51.1	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4.8	178.3	-51.9	81.4	-143.8	0	0	113.6	T86 F91 K92	T86-E88 WeakPolarHBondContact CB-OE2 3.46Å; T86-E88 PolarHBondContact O-N 3.14Å; T86-E88 PolarHBondContact OG1-N 3.03Å; T86-E88 PolarHBondContact OG1-OE2 2.97Å; E88-F91 WeakPolarHBondContact O-CA 3.44Å; E88-F91 VanDerWaalsContact O-CB 3.31Å; E88-F91 WeakPolarHBondContact O-CB 3.46Å; E88-F91 PolarHBondContact O-N 3.37Å; E88-K92 HydrophobicContact CB-CB 4.34Å; E88-K92 HydrophobicContact CB-CD 4.08Å; E88-K92 HydrophobicContact CB-CG 3.99Å; E88-K92 HydrophobicContact CG-CD 4.39Å; E88-K92 PolarHBondContact O-N 2.9Å; E88-K92 WeakPolarHBondContact OE2-CD 3.37Å; E88-K92 WeakPolarHBondContact OE2-CE 3.28Å; E88-K92 IonicContact OE2-NZ 3.52Å; E88-K92 PolarHBondContact OE2-NZ 3.04Å
89	Y	95.5	Very high	96.9	Very high	73 Å²	73	55.7 Å²	55.7	29%	0.286	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	133.6	172.7	-176.1	-94.5	0	0	0	110.3	F85 T86 P94 W122	F85-Y89 AromaticContact CD1-CD1 3.91Å; F85-Y89 HydrophobicContact CD1-CD1 3.91Å; F85-Y89 AromaticContact CD1-CD2 3.56Å; F85-Y89 HydrophobicContact CD1-CD2 3.56Å; F85-Y89 HydrophobicContact CD1-CE1 4.09Å; F85-Y89 AromaticContact CD1-CE2 3.73Å; F85-Y89 HydrophobicContact CD1-CE2 3.73Å; F85-Y89 AromaticContact CD1-CG 3.64Å; F85-Y89 HydrophobicContact CD1-CG 3.64Å; F85-Y89 AromaticContact CD1-CZ 3.99Å; F85-Y89 HydrophobicContact CE1-CD1 4.34Å; F85-Y89 HydrophobicContact CE1-CD2 4.1Å; F85-Y89 HydrophobicContact CE1-CE1 4.04Å; F85-Y89 AromaticContact CE1-CE2 3.75Å; F85-Y89 HydrophobicContact CE1-CE2 3.75Å; F85-Y89 HydrophobicContact CE1-CG 4.36Å; F85-Y89 AromaticContact CE1-CZ 3.73Å; T86-Y89 WeakPolarHBondContact O-CB 3.35Å; T86-Y89 PolarHBondContact O-N 3.24Å; Y89-P94 HydrophobicContact CE2-CG 4.39Å; Y89-W122 HydrophobicContact CD2-CZ2 4.13Å; Y89-W122 AromaticContact CE2-CH2 3.7Å; Y89-W122 HydrophobicContact CE2-CH2 3.7Å; Y89-W122 AromaticContact CE2-CZ2 3.63Å; Y89-W122 HydrophobicContact CE2-CZ2 3.63Å
90	P	95.5	Very high	96.9	Very high	45 Å²	45	56.2 Å²	56.2	29%	0.292	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.1	10.1	12.9	37.9	-36.9	0	0	0	115.5	W122 P124	P90-W122 PolarHBondContact O-NE1 3.4Å; P90-P124 HydrophobicContact CB-CB 4.18Å; P90-P124 HydrophobicContact CG-CB 4.18Å; P90-P124 WeakPolarHBondContact O-CA 3.3Å
91	F	96.4	Very high	97	Very high	162 Å²	162	59.8 Å²	59.8	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.6	179.4	-55.6	-75	0	0	0	113.3	E88 P124	E88-F91 WeakPolarHBondContact O-CA 3.44Å; E88-F91 VanDerWaalsContact O-CB 3.31Å; E88-F91 WeakPolarHBondContact O-CB 3.46Å; E88-F91 PolarHBondContact O-N 3.37Å; F91-P124 HydrophobicContact CD1-CG 4.14Å
92	K	95.7	Very high	97	Very high	103 Å²	103	60.3 Å²	60.3	45%	0.448	29%	0.288	S	S	.	.	S	Bend	trans	-110.5	146.9	166.3	-69.7	-171	-168.1	158.3	0	111.7	E88	E88-K92 HydrophobicContact CB-CB 4.34Å; E88-K92 HydrophobicContact CB-CD 4.08Å; E88-K92 HydrophobicContact CB-CG 3.99Å; E88-K92 HydrophobicContact CG-CD 4.39Å; E88-K92 PolarHBondContact O-N 2.9Å; E88-K92 WeakPolarHBondContact OE2-CD 3.37Å; E88-K92 WeakPolarHBondContact OE2-CE 3.28Å; E88-K92 IonicContact OE2-NZ 3.52Å; E88-K92 PolarHBondContact OE2-NZ 3.04Å
93	P	96.6	Very high	97	Very high	38 Å²	38	60.2 Å²	60.2	25%	0.247	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.6	149.4	175.5	25	-32	0	0	0	111.4	W122	P93-W122 VanDerWaalsContact CA-CD2 3.48Å; P93-W122 HydrophobicContact CB-CB 3.93Å; P93-W122 HydrophobicContact CB-CD2 3.57Å; P93-W122 HydrophobicContact CB-CE3 3.82Å; P93-W122 HydrophobicContact CB-CG 3.59Å; P93-W122 HydrophobicContact CG-CB 4.14Å; P93-W122 HydrophobicContact CG-CG 4.07Å
94	P	97.2	Very high	97	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.019	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.7	145.1	168.3	31.3	-33.3	0	0	0	109.7	I83 T84 F85 Y89 V96 L118 W122 I128	I83-P94 HydrophobicContact CG2-CB 4.02Å; T84-P94 CarbonylContact O-C 3.58Å; T84-P94 WeakPolarHBondContact O-CA 3.5Å; F85-P94 HydrophobicContact CD1-CB 3.9Å; F85-P94 HydrophobicContact CE1-CB 4.03Å; Y89-P94 HydrophobicContact CE2-CG 4.39Å; P94-V96 HydrophobicContact CB-CG2 4.49Å; P94-V96 HydrophobicContact CG-CG2 4.27Å; P94-V96 PolarHBondContact O-N 3.38Å; P94-L118 HydrophobicContact CG-CD2 4.47Å; P94-W122 VanDerWaalsContact CD-CH2 3.5Å; P94-W122 HydrophobicContact CG-CH2 4.35Å; P94-W122 HydrophobicContact CG-CZ3 4.36Å; P94-I128 HydrophobicContact CB-CD1 4.22Å; P94-I128 HydrophobicContact CG-CD1 3.75Å
95	K	97.3	Very high	97	Very high	140 Å²	140	57.5 Å²	57.5	61%	0.609	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.2	169.1	-176.8	178.3	-179.9	-179.4	0	108.6	I83 T84 T97	I83-K95 CarbonylContact C-O 3.56Å; I83-K95 WeakPolarHBondContact CA-O 3.36Å; T84-K95 PolarHBondContact N-O 3.01Å; T84-K95 PolarHBondContact O-N 2.67Å; K95-T97 HydrophobicContact CG-CG2 4.39Å
96	V	97.6	Very high	97	Very high	9 Å²	9	56.8 Å²	56.8	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.6	177.5	-172.8	0	0	0	0	109.6	L81 D82 I83 P94 I113 L118 V131 I135	L81-V96 HydrophobicContact CB-CG1 4.47Å; L81-V96 HydrophobicContact CD2-CG1 3.82Å; D82-V96 WeakPolarHBondContact O-CA 3.18Å; I83-V96 HydrophobicContact CG1-CG1 4.16Å; I83-V96 HydrophobicContact CG1-CG2 4.21Å; I83-V96 HydrophobicContact CG2-CG2 4.37Å; P94-V96 HydrophobicContact CB-CG2 4.49Å; P94-V96 HydrophobicContact CG-CG2 4.27Å; P94-V96 PolarHBondContact O-N 3.38Å; V96-I113 HydrophobicContact CB-CD1 4.35Å; V96-I113 HydrophobicContact CG1-CD1 3.93Å; V96-L118 HydrophobicContact CB-CD1 4.02Å; V96-L118 HydrophobicContact CG2-CD1 4.29Å; V96-L118 HydrophobicContact CG2-CD2 3.99Å; V96-V131 HydrophobicContact CG2-CG1 4.16Å; V96-I135 HydrophobicContact CG1-CD1 3.83Å
97	T	97.8	Very high	97.1	Very high	31 Å²	31	54.9 Å²	54.9	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.5	179.6	52.6	0	0	0	0	111.6	L81 D82 K95 R99 G111	L81-T97 CarbonylContact C-O 3.02Å; L81-T97 VanDerWaalsContact CA-O 3.27Å; L81-T97 WeakPolarHBondContact CA-O 3.06Å; D82-T97 PolarHBondContact N-O 2.81Å; D82-T97 PolarHBondContact O-N 3.46Å; K95-T97 HydrophobicContact CG-CG2 4.39Å; T97-R99 PolarHBondContact O-N 3.15Å; T97-G111 CarbonylContact C-O 3.48Å; T97-G111 VanDerWaalsContact CA-O 3.28Å; T97-G111 WeakPolarHBondContact CA-O 3.35Å
98	F	98	Very high	97.1	Very high	9 Å²	9	52 Å²	52	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.9	169	-87.5	-103	0	0	0	110.3	F79 L81 I102 I107 G111 I113 I135 L139	F79-F98 HydrophobicContact CB-CD1 4.27Å; F79-F98 HydrophobicContact CB-CE1 3.85Å; F79-F98 HydrophobicContact CD1-CD1 4.45Å; F79-F98 HydrophobicContact CD1-CE1 4.2Å; F79-F98 HydrophobicContact CG-CE1 4.19Å; L81-F98 HydrophobicContact CD1-CE1 4.3Å; L81-F98 HydrophobicContact CD1-CZ 4.43Å; L81-F98 HydrophobicContact CD2-CD2 3.98Å; L81-F98 HydrophobicContact CD2-CE2 3.72Å; L81-F98 HydrophobicContact CD2-CG 4.5Å; L81-F98 HydrophobicContact CD2-CZ 4.03Å; L81-F98 HydrophobicContact CG-CD1 4.36Å; L81-F98 HydrophobicContact CG-CD2 4.28Å; L81-F98 HydrophobicContact CG-CE1 4.4Å; L81-F98 HydrophobicContact CG-CE2 4.32Å; L81-F98 HydrophobicContact CG-CG 4.3Å; L81-F98 HydrophobicContact CG-CZ 4.38Å; F98-I102 HydrophobicContact CD1-CG2 4.09Å; F98-I102 HydrophobicContact CE1-CD1 4.17Å; F98-I102 HydrophobicContact CE1-CG2 4.48Å; F98-I102 HydrophobicContact CG-CG2 4.36Å; F98-I107 HydrophobicContact CB-CG2 4.18Å; F98-I107 HydrophobicContact CD2-CD1 3.76Å; F98-I107 HydrophobicContact CD2-CG1 4.34Å; F98-I107 HydrophobicContact CD2-CG2 4.05Å; F98-I107 HydrophobicContact CE1-CD1 4.29Å; F98-I107 HydrophobicContact CE2-CD1 3.43Å; F98-I107 VanDerWaalsContact CE2-CD1 3.43Å; F98-I107 HydrophobicContact CE2-CG1 4.31Å; F98-I107 HydrophobicContact CG-CD1 4.32Å; F98-I107 HydrophobicContact CG-CG2 4.21Å; F98-I107 HydrophobicContact CZ-CD1 3.73Å; F98-G111 PolarHBondContact N-O 2.98Å; F98-G111 WeakPolarHBondContact O-CA 3.47Å; F98-I113 HydrophobicContact CD2-CD1 3.62Å; F98-I113 HydrophobicContact CD2-CG1 3.7Å; F98-I113 HydrophobicContact CE2-CD1 3.61Å; F98-I113 HydrophobicContact CE2-CG1 3.97Å; F98-I135 HydrophobicContact CE2-CG2 3.79Å; F98-I135 HydrophobicContact CZ-CG2 3.79Å; F98-L139 HydrophobicContact CZ-CD1 4.39Å; F98-L139 HydrophobicContact CZ-CD2 4.18Å
99	R	97.3	Very high	97.1	Very high	147 Å²	147	53.4 Å²	53.4	56%	0.555	25%	0.252	S	S	*	.	S	Bend	trans	-85.3	-39.2	168.9	-179.1	178	176	135.3	-2.5	110.7	F80 D82 T97	F80-R99 HydrophobicContact CB-CB 4.22Å; F80-R99 WeakPolarHBondContact O-CA 3.44Å; F80-R99 WeakPolarHBondContact O-CB 3.46Å; F80-R99 PolarHBondContact O-N 3.49Å; D82-R99 IonicContact OD2-NH1 2.87Å; T97-R99 PolarHBondContact O-N 3.15Å
100	T	97.8	Very high	97.2	Very high	13 Å²	13	56.9 Å²	56.9	8%	0.08	27%	0.271	C	S	.	.	S	Bend	trans	-74.1	130.4	173.1	-59.9	0	0	0	0	109.8	F79 F80 Y174 A175	F79-T100 HydrophobicContact CD1-CG2 3.8Å; F79-T100 HydrophobicContact CE1-CG2 4.35Å; F80-T100 PolarHBondContact N-OG1 3.07Å; F80-T100 PolarHBondContact O-N 3.22Å; T100-Y174 VanDerWaalsContact CG2-O 3.28Å; T100-Y174 WeakPolarHBondContact CG2-O 3.41Å; T100-A175 HydrophobicContact CG2-CB 3.84Å
101	R	97.7	Very high	97.3	Very high	157 Å²	157	55 Å²	55	59%	0.592	26%	0.259	S	S	*	.			trans	-65.1	137.5	175.9	-59.3	-175.6	-161.1	-177.2	5.1	110.1	W170 Y174	R101-W170 HydrophobicContact CB-CE3 4.37Å; R101-W170 HydrophobicContact CB-CZ3 4.19Å; R101-Y174 HydrophobicContact CB-CD2 3.98Å; R101-Y174 HydrophobicContact CB-CG 3.99Å
102	I	98.1	Very high	97.3	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.051	24%	0.244	C	C	.	.			trans	-141.1	143.2	-178.9	-169	171.4	0	0	0	110.3	Y74 F79 F98 H104 I107 L139 W170	Y74-I102 HydrophobicContact CD1-CD1 3.83Å; Y74-I102 HydrophobicContact CD1-CG1 3.97Å; Y74-I102 HydrophobicContact CE1-CD1 3.69Å; Y74-I102 HydrophobicContact CE1-CG1 3.57Å; Y74-I102 HydrophobicContact CG-CD1 4.4Å; F79-I102 HydrophobicContact CD1-CB 4.43Å; F79-I102 HydrophobicContact CD1-CD1 4.04Å; F79-I102 HydrophobicContact CD1-CG1 4.45Å; F79-I102 HydrophobicContact CE1-CB 4.17Å; F79-I102 HydrophobicContact CE1-CD1 3.7Å; F79-I102 HydrophobicContact CE1-CG1 3.88Å; F79-I102 HydrophobicContact CZ-CD1 4.19Å; F98-I102 HydrophobicContact CD1-CG2 4.09Å; F98-I102 HydrophobicContact CE1-CD1 4.17Å; F98-I102 HydrophobicContact CE1-CG2 4.48Å; F98-I102 HydrophobicContact CG-CG2 4.36Å; I102-H104 HydrophobicContact CD1-CB 4.49Å; I102-H104 HydrophobicContact CG1-CB 4.29Å; I102-H104 HydrophobicContact CG2-CB 4.36Å; I102-I107 HydrophobicContact CD1-CD1 4.29Å; I102-I107 HydrophobicContact CG2-CB 3.91Å; I102-I107 HydrophobicContact CG2-CD1 3.69Å; I102-I107 HydrophobicContact CG2-CG1 4.41Å; I102-I107 HydrophobicContact CG2-CG2 3.69Å; I102-L139 HydrophobicContact CD1-CD2 3.45Å; I102-L139 VanDerWaalsContact CD1-CD2 3.45Å; I102-W170 VanDerWaalsContact C-CE3 3.44Å; I102-W170 WeakPolarHBondContact O-CZ3 3.12Å
103	Y	98	Very high	97.3	Very high	25 Å²	25	45.8 Å²	45.8	10%	0.098	22%	0.224	C	C	.	.			trans	-92.3	98.7	173.1	-167.8	-95.5	0	0	0	108.5	Y74 I152 Q155 H163 M166 A167 W170	Y74-Y103 WeakPolarHBondContact CE1-O 3.4Å; Y74-Y103 PolarHBondContact OH-O 3.5Å; Y103-I152 HydrophobicContact CD1-CD1 4.46Å; Y103-I152 HydrophobicContact CD1-CG2 4.07Å; Y103-I152 HydrophobicContact CD2-CD1 3.87Å; Y103-I152 HydrophobicContact CD2-CG1 4.42Å; Y103-I152 HydrophobicContact CE1-CB 4.41Å; Y103-I152 HydrophobicContact CE1-CD1 4.36Å; Y103-I152 HydrophobicContact CE1-CG1 4.17Å; Y103-I152 HydrophobicContact CE1-CG2 3.62Å; Y103-I152 HydrophobicContact CE2-CD1 3.73Å; Y103-I152 HydrophobicContact CE2-CG1 3.79Å; Y103-I152 HydrophobicContact CG-CD1 4.23Å; Y103-Q155 PolarHBondContact OH-OE1 3.42Å; Y103-H163 AromaticContact CE1-CD2 3.77Å; Y103-M166 HydrophobicContact CD1-CB 4.3Å; Y103-M166 HydrophobicContact CE1-CB 4.07Å; Y103-A167 HydrophobicContact CD1-CB 4.08Å; Y103-W170 HydrophobicContact CD2-CD2 4.16Å; Y103-W170 AromaticContact CD2-CE2 3.89Å; Y103-W170 HydrophobicContact CD2-CZ2 4.12Å; Y103-W170 HydrophobicContact CG-CD2 4.43Å
104	H	98	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-152.7	137.4	-174.3	-171	-81.3	0	0	0	110.6	Y74 I102 N106 I107 L138 C142	Y74-H104 AromaticContact CZ-CD2 3.86Å; Y74-H104 PolarHBondContact OH-CD2 3.3Å; I102-H104 HydrophobicContact CD1-CB 4.49Å; I102-H104 HydrophobicContact CG1-CB 4.29Å; I102-H104 HydrophobicContact CG2-CB 4.36Å; H104-N106 VanDerWaalsContact C-N 3.32Å; H104-N106 PolarHBondContact CE1-OD1 2.85Å; H104-N106 PolarHBondContact ND1-N 3.22Å; H104-N106 PolarHBondContact O-N 2.86Å; H104-I107 HydrophobicContact CB-CB 4.12Å; H104-I107 HydrophobicContact CB-CD1 3.99Å; H104-I107 HydrophobicContact CB-CG1 4.18Å; H104-I107 PolarHBondContact O-N 2.69Å; H104-L138 PolarHBondContact NE2-O 3.23Å; H104-C142 WeakPolarHBondContact NE2-CB 3.34Å
105	C	97.2	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.8	-175	58.6	0	0	0	0	113.9	P147 L148 V149 I152 A153	C105-P147 HydrophobicContact CB-CB 4.25Å; C105-L148 PolarHBondContact O-N 2.82Å; C105-V149 PolarHBondContact O-N 2.94Å; C105-I152 HydrophobicContact CB-CB 4.18Å; C105-I152 HydrophobicContact CB-CG2 3.96Å; C105-A153 HydrophobicContact CB-CB 3.9Å
106	N	97.5	Very high	96.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.2	176.2	-46.9	101.8	0	0	0	114.3	H104 C114 L138 N143 D146	H104-N106 VanDerWaalsContact C-N 3.32Å; H104-N106 PolarHBondContact CE1-OD1 2.85Å; H104-N106 PolarHBondContact ND1-N 3.22Å; H104-N106 PolarHBondContact O-N 2.86Å; N106-C114 HydrophobicContact CB-CB 4.31Å; N106-C114 PolarHBondContact O-N 2.91Å; N106-L138 HydrophobicContact CB-CD1 4.3Å; N106-L138 HydrophobicContact CB-CD2 4.08Å; N106-N143 PolarHBondContact ND2-O 2.87Å; N106-N143 PolarHBondContact OD1-N 3.19Å; N106-D146 PolarHBondContact ND2-O 3.16Å
107	I	97.8	Very high	96.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-128.7	121.1	178.7	-52.6	165.8	0	0	0	109.2	F98 I102 H104 V112 I113 L139	F98-I107 HydrophobicContact CB-CG2 4.18Å; F98-I107 HydrophobicContact CD2-CD1 3.76Å; F98-I107 HydrophobicContact CD2-CG1 4.34Å; F98-I107 HydrophobicContact CD2-CG2 4.05Å; F98-I107 HydrophobicContact CE1-CD1 4.29Å; F98-I107 HydrophobicContact CE2-CD1 3.43Å; F98-I107 VanDerWaalsContact CE2-CD1 3.43Å; F98-I107 HydrophobicContact CE2-CG1 4.31Å; F98-I107 HydrophobicContact CG-CD1 4.32Å; F98-I107 HydrophobicContact CG-CG2 4.21Å; F98-I107 HydrophobicContact CZ-CD1 3.73Å; I102-I107 HydrophobicContact CD1-CD1 4.29Å; I102-I107 HydrophobicContact CG2-CB 3.91Å; I102-I107 HydrophobicContact CG2-CD1 3.69Å; I102-I107 HydrophobicContact CG2-CG1 4.41Å; I102-I107 HydrophobicContact CG2-CG2 3.69Å; H104-I107 HydrophobicContact CB-CB 4.12Å; H104-I107 HydrophobicContact CB-CD1 3.99Å; H104-I107 HydrophobicContact CB-CG1 4.18Å; H104-I107 PolarHBondContact O-N 2.69Å; I107-V112 WeakPolarHBondContact CA-O 3.42Å; I107-I113 HydrophobicContact CG1-CG1 4.47Å; I107-I113 HydrophobicContact CG1-CG2 4.47Å; I107-L139 HydrophobicContact CD1-CD2 4.09Å
108	N	96.3	Very high	96.5	Very high	44 Å²	44	42.8 Å²	42.8	24%	0.235	21%	0.212	C	C	.	.			trans	-86	177	-178.9	73.7	10.8	0	0	0	112.6	Q110 G111 V112 L148 V149	N108-Q110 PolarHBondContact O-N 3.25Å; N108-Q110 VanDerWaalsContact O-N 3.16Å; N108-Q110 WeakPolarHBondContact OD1-CA 3.37Å; N108-Q110 WeakPolarHBondContact OD1-CB 3.44Å; N108-Q110 PolarHBondContact OD1-N 3.25Å; N108-G111 PolarHBondContact O-N 3.38Å; N108-G111 PolarHBondContact OD1-N 3.35Å; N108-G111 VanDerWaalsContact OD1-N 3.17Å; N108-V112 PolarHBondContact N-O 3Å; N108-V112 VanDerWaalsContact N-O 3.15Å; N108-V112 WeakPolarHBondContact OD1-CB 3.39Å; N108-V112 PolarHBondContact OD1-N 2.85Å; N108-L148 HydrophobicContact CB-CD2 3.67Å; N108-L148 HydrophobicContact CB-CG 4.05Å; N108-V149 HydrophobicContact CB-CG2 4.08Å
109	S	95.8	Very high	96.2	Very high	107 Å²	107	47.5 Å²	47.5	75%	0.748	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.9	-179.9	58.4	0	0	0	0	114.7	G111	S109-G111 VanDerWaalsContact C-N 3.31Å
110	Q	97	Very high	95.9	Very high	147 Å²	147	47.8 Å²	47.8	69%	0.687	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	2	173.5	-56.1	-56	-54.1	0	0	112.4	N108 V112	N108-Q110 PolarHBondContact O-N 3.25Å; N108-Q110 VanDerWaalsContact O-N 3.16Å; N108-Q110 WeakPolarHBondContact OD1-CA 3.37Å; N108-Q110 WeakPolarHBondContact OD1-CB 3.44Å; N108-Q110 PolarHBondContact OD1-N 3.25Å; Q110-V112 VanDerWaalsContact C-N 3.28Å; Q110-V112 HydrophobicContact CB-CG2 4.37Å; Q110-V112 PolarHBondContact O-N 3.29Å
111	G	97.2	Very high	95.8	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	27%	0.266	C	S	.	.			trans	77.3	8.2	-179.1	0	0	0	0	0	114.9	T97 F98 N108 S109	T97-G111 CarbonylContact C-O 3.48Å; T97-G111 VanDerWaalsContact CA-O 3.28Å; T97-G111 WeakPolarHBondContact CA-O 3.35Å; F98-G111 PolarHBondContact N-O 2.98Å; F98-G111 WeakPolarHBondContact O-CA 3.47Å; N108-G111 PolarHBondContact O-N 3.38Å; N108-G111 PolarHBondContact OD1-N 3.35Å; N108-G111 VanDerWaalsContact OD1-N 3.17Å; S109-G111 VanDerWaalsContact C-N 3.31Å
112	V	97	Very high	95.8	Very high	64 Å²	64	45.7 Å²	45.7	39%	0.388	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-68	134.1	175.8	179.2	0	0	0	0	109	I107 N108 Q110 L148	I107-V112 WeakPolarHBondContact CA-O 3.42Å; N108-V112 PolarHBondContact N-O 3Å; N108-V112 VanDerWaalsContact N-O 3.15Å; N108-V112 WeakPolarHBondContact OD1-CB 3.39Å; N108-V112 PolarHBondContact OD1-N 2.85Å; Q110-V112 VanDerWaalsContact C-N 3.28Å; Q110-V112 HydrophobicContact CB-CG2 4.37Å; Q110-V112 PolarHBondContact O-N 3.29Å; V112-L148 HydrophobicContact CB-CD2 4.22Å; V112-L148 HydrophobicContact CG1-CD2 4.22Å; V112-L148 WeakPolarHBondContact O-CD2 3.28Å
113	I	96.4	Very high	95.7	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.041	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-103.3	126.9	-177.8	-49.5	171.5	0	0	0	108.7	L81 V96 F98 I107 L115 I135 L138	L81-I113 HydrophobicContact CD2-CD1 4.32Å; V96-I113 HydrophobicContact CB-CD1 4.35Å; V96-I113 HydrophobicContact CG1-CD1 3.93Å; F98-I113 HydrophobicContact CD2-CD1 3.62Å; F98-I113 HydrophobicContact CD2-CG1 3.7Å; F98-I113 HydrophobicContact CE2-CD1 3.61Å; F98-I113 HydrophobicContact CE2-CG1 3.97Å; I107-I113 HydrophobicContact CG1-CG1 4.47Å; I107-I113 HydrophobicContact CG1-CG2 4.47Å; I113-L115 HydrophobicContact CG2-CB 3.88Å; I113-L115 PolarHBondContact O-N 3.35Å; I113-I135 HydrophobicContact CD1-CD1 3.79Å; I113-I135 HydrophobicContact CD1-CG1 4.24Å; I113-L138 HydrophobicContact CG2-CD2 3.9Å
114	C	94.4	Very high	95.7	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.108	27%	0.273	C	S	.	.			trans	-84.4	97.5	163.6	-158.5	0	0	0	0	108.6	N106 L148	N106-C114 HydrophobicContact CB-CB 4.31Å; N106-C114 PolarHBondContact O-N 2.91Å; C114-L148 HydrophobicContact CB-CB 4.17Å
115	L	93.4	Very high	95.6	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	30%	0.3	C	S	.	.			trans	-140.1	127.5	175.8	-173.8	66.4	0	0	0	108.3	I113 I117 L118 I135 L138	I113-L115 HydrophobicContact CG2-CB 3.88Å; I113-L115 PolarHBondContact O-N 3.35Å; L115-I117 HydrophobicContact CD2-CD1 3.96Å; L115-I117 HydrophobicContact CD2-CG1 3.61Å; L115-I117 HydrophobicContact CG-CG1 3.7Å; L115-I117 PolarHBondContact O-N 3.37Å; L115-L118 HydrophobicContact CB-CD1 4.22Å; L115-L118 HydrophobicContact CB-CG 4.41Å; L115-L118 HydrophobicContact CD2-CD1 4.23Å; L115-L118 HydrophobicContact CD2-CG 4.28Å; L115-L118 PolarHBondContact O-N 2.96Å; L115-L118 VanDerWaalsContact O-N 3.1Å; L115-I135 HydrophobicContact CD2-CG1 3.89Å; L115-L138 HydrophobicContact CD1-CD2 4.44Å
116	D	92.4	Very high	95.6	Very high	81 Å²	81	54.3 Å²	54.3	43%	0.433	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-61.9	-40.2	-172.9	64.7	-32.4	0	0	0	112.9	L118 K119 D120 N121	D116-L118 PolarHBondContact O-N 3.49Å; D116-L118 VanDerWaalsContact O-N 3.15Å; D116-K119 CarbonylContact O-C 3.39Å; D116-K119 WeakPolarHBondContact O-CA 3.39Å; D116-K119 PolarHBondContact O-N 3.15Å; D116-D120 PolarHBondContact O-N 3.15Å; D116-N121 HydrophobicContact CB-CB 4.29Å; D116-N121 PolarHBondContact O-N 3Å; D116-N121 VanDerWaalsContact O-N 3.09Å; D116-N121 PolarHBondContact OD2-ND2 3.4Å
117	I	94.3	Very high	95.5	Very high	25 Å²	25	57.2 Å²	57.2	13%	0.128	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-66.6	-13.7	177.4	63.5	159.3	0	0	0	113.2	L115 N121 W122 L126 V131	L115-I117 HydrophobicContact CD2-CD1 3.96Å; L115-I117 HydrophobicContact CD2-CG1 3.61Å; L115-I117 HydrophobicContact CG-CG1 3.7Å; L115-I117 PolarHBondContact O-N 3.37Å; I117-N121 HydrophobicContact CG2-CB 4.46Å; I117-W122 WeakPolarHBondContact O-CA 3.41Å; I117-W122 WeakPolarHBondContact O-CB 3.39Å; I117-W122 VanDerWaalsContact O-CE3 3.31Å; I117-L126 HydrophobicContact CB-CD1 3.87Å; I117-L126 HydrophobicContact CG2-CD1 4.25Å; I117-V131 HydrophobicContact CD1-CB 4.48Å; I117-V131 HydrophobicContact CD1-CG2 4.17Å
118	L	93.8	Very high	95.3	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.115	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-94.1	4.1	172.4	-66	177.5	0	0	0	112.6	P94 V96 L115 D116 V131	P94-L118 HydrophobicContact CG-CD2 4.47Å; V96-L118 HydrophobicContact CB-CD1 4.02Å; V96-L118 HydrophobicContact CG2-CD1 4.29Å; V96-L118 HydrophobicContact CG2-CD2 3.99Å; L115-L118 HydrophobicContact CB-CD1 4.22Å; L115-L118 HydrophobicContact CB-CG 4.41Å; L115-L118 HydrophobicContact CD2-CD1 4.23Å; L115-L118 HydrophobicContact CD2-CG 4.28Å; L115-L118 PolarHBondContact O-N 2.96Å; L115-L118 VanDerWaalsContact O-N 3.1Å; D116-L118 PolarHBondContact O-N 3.49Å; D116-L118 VanDerWaalsContact O-N 3.15Å; L118-V131 HydrophobicContact CD2-CG1 3.8Å; L118-V131 HydrophobicContact CD2-CG2 4.36Å; L118-V131 HydrophobicContact CG-CG1 4.49Å
119	K	92.1	Very high	95.2	Very high	107 Å²	107	60 Å²	60	47%	0.465	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-114.5	-178.5	-62.6	-178.8	-179.7	175.4	0	109.5	D116 N121 W122	D116-K119 CarbonylContact O-C 3.39Å; D116-K119 WeakPolarHBondContact O-CA 3.39Å; D116-K119 PolarHBondContact O-N 3.15Å; K119-N121 VanDerWaalsContact C-N 3.31Å; K119-N121 PolarHBondContact O-N 2.94Å; K119-W122 WeakPolarHBondContact O-CB 3.36Å; K119-W122 PolarHBondContact O-N 3.43Å
120	D	92.6	Very high	95.2	Very high	153 Å²	153	60 Å²	60	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-23.4	-168.2	-50	-46.7	0	0	0	112.8	D116	D116-D120 PolarHBondContact O-N 3.15Å
121	N	94.9	Very high	95.1	Very high	97 Å²	97	53.1 Å²	53.1	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	12.9	177.2	-70.1	-16.6	0	0	0	112.9	D116 I117 K119	D116-N121 HydrophobicContact CB-CB 4.29Å; D116-N121 PolarHBondContact O-N 3Å; D116-N121 VanDerWaalsContact O-N 3.09Å; D116-N121 PolarHBondContact OD2-ND2 3.4Å; I117-N121 HydrophobicContact CG2-CB 4.46Å; K119-N121 VanDerWaalsContact C-N 3.31Å; K119-N121 PolarHBondContact O-N 2.94Å
122	W	97.4	Very high	95	Very high	30 Å²	30	53.1 Å²	53.1	11%	0.114	30%	0.301	C	S	.	.			trans	-64.5	136.8	172.8	176.2	-103.2	0	0	0	110.8	Y89 P90 P93 P94 I117 K119 L126 V131	Y89-W122 HydrophobicContact CD2-CZ2 4.13Å; Y89-W122 AromaticContact CE2-CH2 3.7Å; Y89-W122 HydrophobicContact CE2-CH2 3.7Å; Y89-W122 AromaticContact CE2-CZ2 3.63Å; Y89-W122 HydrophobicContact CE2-CZ2 3.63Å; P90-W122 PolarHBondContact O-NE1 3.4Å; P93-W122 VanDerWaalsContact CA-CD2 3.48Å; P93-W122 HydrophobicContact CB-CB 3.93Å; P93-W122 HydrophobicContact CB-CD2 3.57Å; P93-W122 HydrophobicContact CB-CE3 3.82Å; P93-W122 HydrophobicContact CB-CG 3.59Å; P93-W122 HydrophobicContact CG-CB 4.14Å; P93-W122 HydrophobicContact CG-CG 4.07Å; P94-W122 VanDerWaalsContact CD-CH2 3.5Å; P94-W122 HydrophobicContact CG-CH2 4.35Å; P94-W122 HydrophobicContact CG-CZ3 4.36Å; I117-W122 WeakPolarHBondContact O-CA 3.41Å; I117-W122 WeakPolarHBondContact O-CB 3.39Å; I117-W122 VanDerWaalsContact O-CE3 3.31Å; K119-W122 WeakPolarHBondContact O-CB 3.36Å; K119-W122 PolarHBondContact O-N 3.43Å; W122-L126 HydrophobicContact CD2-CD1 4.48Å; W122-L126 HydrophobicContact CE3-CB 4.08Å; W122-L126 HydrophobicContact CE3-CD1 3.76Å; W122-L126 HydrophobicContact CH2-CB 3.96Å; W122-L126 HydrophobicContact CZ3-CB 3.62Å; W122-L126 HydrophobicContact CZ3-CD1 4.09Å; W122-V131 HydrophobicContact CZ3-CG2 3.94Å
123	S	96.9	Very high	94.9	Very high	53 Å²	53	53.9 Å²	53.9	37%	0.371	30%	0.302	S	S	.	.			trans	-133.7	140.6	173.4	175.1	0	0	0	0	109.2	A125 L126	S123-A125 PolarHBondContact O-N 3.45Å; S123-A125 PolarHBondContact OG-N 3Å; S123-L126 WeakPolarHBondContact O-CB 3.35Å; S123-L126 PolarHBondContact O-N 3.18Å
124	P	96.6	Very high	94.8	Very high	65 Å²	65	55.1 Å²	55.1	42%	0.422	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.9	173.1	-25.1	34.1	0	0	0	114.8	P90 F91 L126	P90-P124 HydrophobicContact CB-CB 4.18Å; P90-P124 HydrophobicContact CG-CB 4.18Å; P90-P124 WeakPolarHBondContact O-CA 3.3Å; F91-P124 HydrophobicContact CD1-CG 4.14Å; P124-L126 VanDerWaalsContact C-N 3.33Å
125	A	97	Very high	94.9	Very high	67 Å²	67	54.3 Å²	54.3	55%	0.554	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.3	174.1	0	0	0	0	0	114.2	S123 K130	S123-A125 PolarHBondContact O-N 3.45Å; S123-A125 PolarHBondContact OG-N 3Å; A125-K130 PolarHBondContact O-NZ 2.83Å; A125-K130 VanDerWaalsContact O-NZ 3.07Å
126	L	96.3	Very high	94.9	Very high	31 Å²	31	53.9 Å²	53.9	16%	0.162	30%	0.304	C	S	.	.			trans	-80.6	145.7	172.4	-67.1	175.5	0	0	0	110.6	I117 W122 S123 P124 K130	I117-L126 HydrophobicContact CB-CD1 3.87Å; I117-L126 HydrophobicContact CG2-CD1 4.25Å; W122-L126 HydrophobicContact CD2-CD1 4.48Å; W122-L126 HydrophobicContact CE3-CB 4.08Å; W122-L126 HydrophobicContact CE3-CD1 3.76Å; W122-L126 HydrophobicContact CH2-CB 3.96Å; W122-L126 HydrophobicContact CZ3-CB 3.62Å; W122-L126 HydrophobicContact CZ3-CD1 4.09Å; S123-L126 WeakPolarHBondContact O-CB 3.35Å; S123-L126 PolarHBondContact O-N 3.18Å; P124-L126 VanDerWaalsContact C-N 3.33Å; L126-K130 HydrophobicContact CD2-CB 4.37Å; L126-K130 HydrophobicContact CD2-CD 3.98Å
127	T	95.4	Very high	94.9	Very high	62 Å²	62	52.4 Å²	52.4	38%	0.38	30%	0.3	S	S	.	.			trans	-119.9	160.6	177.4	66	0	0	0	0	109.7	S129 K130 V131	T127-S129 PolarHBondContact O-N 3.18Å; T127-K130 WeakPolarHBondContact O-CB 3.41Å; T127-K130 PolarHBondContact O-N 2.97Å; T127-K130 PolarHBondContact OG1-N 3.07Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.5Å
128	I	95.1	Very high	94.9	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-54.2	-38.5	173.9	-65.3	-53.9	0	0	0	111.8	A52 W62 I83 F85 P94 K130 V131 L132	A52-I128 HydrophobicContact CB-CG2 4.13Å; W62-I128 HydrophobicContact CE3-CG2 4.47Å; W62-I128 HydrophobicContact CZ3-CB 4.49Å; W62-I128 HydrophobicContact CZ3-CG1 4.37Å; W62-I128 HydrophobicContact CZ3-CG2 4.38Å; I83-I128 HydrophobicContact CD1-CG2 3.94Å; I83-I128 HydrophobicContact CG2-CD1 4.03Å; F85-I128 HydrophobicContact CE1-CD1 3.61Å; F85-I128 HydrophobicContact CE1-CG1 3.85Å; F85-I128 HydrophobicContact CZ-CD1 3.69Å; F85-I128 HydrophobicContact CZ-CG1 3.63Å; P94-I128 HydrophobicContact CB-CD1 4.22Å; P94-I128 HydrophobicContact CG-CD1 3.75Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.3Å; I128-V131 PolarHBondContact O-N 3.43Å; I128-L132 HydrophobicContact CG2-CD1 3.72Å; I128-L132 HydrophobicContact CG2-CG 4.05Å; I128-L132 WeakPolarHBondContact O-CB 3.3Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 3.33Å
129	S	94	Very high	95	Very high	92 Å²	92	51.1 Å²	51.1	64%	0.643	29%	0.293	S	S	*	.	H	α-helix	trans	-59.8	-41.1	176	-48.6	0	0	0	0	112.5	T127 L133	T127-S129 PolarHBondContact O-N 3.18Å; S129-L133 WeakPolarHBondContact O-CB 3.4Å; S129-L133 PolarHBondContact O-N 2.87Å
130	K	94.4	Very high	95	Very high	109 Å²	109	48.9 Å²	48.9	47%	0.474	29%	0.289	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.3	-68.9	177.3	-178.1	173.7	0	111.7	A125 L126 T127 I128 L133 S134	A125-K130 PolarHBondContact O-NZ 2.83Å; A125-K130 VanDerWaalsContact O-NZ 3.07Å; L126-K130 HydrophobicContact CD2-CB 4.37Å; L126-K130 HydrophobicContact CD2-CD 3.98Å; T127-K130 WeakPolarHBondContact O-CB 3.41Å; T127-K130 PolarHBondContact O-N 2.97Å; T127-K130 PolarHBondContact OG1-N 3.07Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.3Å; K130-L133 WeakPolarHBondContact O-CB 3.49Å; K130-L133 PolarHBondContact O-N 3.23Å; K130-S134 PolarHBondContact O-N 3.2Å
131	V	95.8	Very high	94.9	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-50.2	175.5	172.3	0	0	0	0	110.9	V96 I117 L118 W122 T127 I128 L133 S134 I135	V96-V131 HydrophobicContact CG2-CG1 4.16Å; I117-V131 HydrophobicContact CD1-CB 4.48Å; I117-V131 HydrophobicContact CD1-CG2 4.17Å; L118-V131 HydrophobicContact CD2-CG1 3.8Å; L118-V131 HydrophobicContact CD2-CG2 4.36Å; L118-V131 HydrophobicContact CG-CG1 4.49Å; W122-V131 HydrophobicContact CZ3-CG2 3.94Å; T127-V131 WeakPolarHBondContact O-CG2 3.5Å; T127-V131 PolarHBondContact O-N 3.5Å; I128-V131 PolarHBondContact O-N 3.43Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.23Å; V131-S134 WeakPolarHBondContact O-CB 3.46Å; V131-S134 PolarHBondContact O-N 2.87Å; V131-S134 VanDerWaalsContact O-N 3.15Å; V131-I135 HydrophobicContact CG1-CD1 3.97Å; V131-I135 WeakPolarHBondContact O-CG1 3.27Å; V131-I135 PolarHBondContact O-N 3.01Å
132	L	95.9	Very high	94.8	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-34.1	178.8	-65.4	173.3	0	0	0	112.2	K50 A52 S64 I66 I83 I128 I135 C136	K50-L132 HydrophobicContact CB-CD1 4.48Å; K50-L132 HydrophobicContact CD-CB 4.02Å; K50-L132 HydrophobicContact CG-CB 4.48Å; A52-L132 HydrophobicContact CB-CD1 3.83Å; S64-L132 WeakPolarHBondContact OG-CD1 3.1Å; S64-L132 VanDerWaalsContact OG-CD2 3.3Å; S64-L132 WeakPolarHBondContact OG-CD2 3.27Å; I66-L132 HydrophobicContact CD1-CD2 4.01Å; I66-L132 HydrophobicContact CG1-CD2 4.4Å; I83-L132 HydrophobicContact CD1-CD2 4.41Å; I128-L132 HydrophobicContact CG2-CD1 3.72Å; I128-L132 HydrophobicContact CG2-CG 4.05Å; I128-L132 WeakPolarHBondContact O-CB 3.3Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 3.33Å; L132-I135 HydrophobicContact CD2-CD1 4.47Å; L132-I135 PolarHBondContact O-N 3Å; L132-C136 PolarHBondContact O-N 3.25Å; L132-C136 PolarHBondContact O-SG 3.16Å
133	L	93.4	Very high	94.6	Very high	80 Å²	80	45.9 Å²	45.9	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-47.4	171.9	-175.5	64	0	0	0	111	S129 K130 V131 I135 C136 S137	S129-L133 WeakPolarHBondContact O-CB 3.4Å; S129-L133 PolarHBondContact O-N 2.87Å; K130-L133 WeakPolarHBondContact O-CB 3.49Å; K130-L133 PolarHBondContact O-N 3.23Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.23Å; L133-I135 VanDerWaalsContact C-N 3.33Å; L133-I135 PolarHBondContact O-N 2.66Å; L133-C136 PolarHBondContact O-N 3.35Å; L133-C136 VanDerWaalsContact O-N 3.15Å; L133-S137 PolarHBondContact O-N 3.03Å; L133-S137 PolarHBondContact O-OG 3.29Å
134	S	94.8	Very high	94.3	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-39	177.2	-165	0	0	0	0	112.6	K130 V131 S137 L138	K130-S134 PolarHBondContact O-N 3.2Å; V131-S134 WeakPolarHBondContact O-CB 3.46Å; V131-S134 PolarHBondContact O-N 2.87Å; V131-S134 VanDerWaalsContact O-N 3.15Å; S134-S137 PolarHBondContact O-N 2.88Å; S134-L138 PolarHBondContact O-N 2.68Å
135	I	95.7	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-40.6	174.9	-66.7	166.5	0	0	0	110.7	I66 L81 V96 F98 I113 L115 V131 L132 L133 S137 L138 L139	I66-I135 HydrophobicContact CD1-CB 4.13Å; I66-I135 HydrophobicContact CD1-CG2 3.64Å; L81-I135 HydrophobicContact CD2-CD1 4.01Å; L81-I135 HydrophobicContact CD2-CG2 4.32Å; V96-I135 HydrophobicContact CG1-CD1 3.83Å; F98-I135 HydrophobicContact CE2-CG2 3.79Å; F98-I135 HydrophobicContact CZ-CG2 3.79Å; I113-I135 HydrophobicContact CD1-CD1 3.79Å; I113-I135 HydrophobicContact CD1-CG1 4.24Å; L115-I135 HydrophobicContact CD2-CG1 3.89Å; V131-I135 HydrophobicContact CG1-CD1 3.97Å; V131-I135 WeakPolarHBondContact O-CG1 3.27Å; V131-I135 PolarHBondContact O-N 3.01Å; L132-I135 HydrophobicContact CD2-CD1 4.47Å; L132-I135 PolarHBondContact O-N 3Å; L133-I135 VanDerWaalsContact C-N 3.33Å; L133-I135 PolarHBondContact O-N 2.66Å; I135-S137 VanDerWaalsContact C-N 3.34Å; I135-S137 PolarHBondContact O-N 2.93Å; I135-L138 WeakPolarHBondContact O-CB 3.3Å; I135-L138 PolarHBondContact O-N 2.91Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 3.3Å
136	C	94.1	Very high	93.8	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-36.4	176.8	-66.8	0	0	0	0	112.6	K50 I66 L132 L133 L138 L139 T140	K50-C136 WeakPolarHBondContact CE-SG 3.49Å; I66-C136 WeakPolarHBondContact CG2-SG 3.3Å; L132-C136 PolarHBondContact O-N 3.25Å; L132-C136 PolarHBondContact O-SG 3.16Å; L133-C136 PolarHBondContact O-N 3.35Å; L133-C136 VanDerWaalsContact O-N 3.15Å; C136-L138 VanDerWaalsContact C-N 3.34Å; C136-L139 PolarHBondContact O-N 3.42Å; C136-T140 PolarHBondContact O-N 3.46Å; C136-T140 PolarHBondContact O-OG1 3.38Å
137	S	93.6	Very high	93.7	Very high	49 Å²	49	47.6 Å²	47.6	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-43.8	170.3	-66.7	0	0	0	0	111	L133 S134 I135 L139 T140 D141	L133-S137 PolarHBondContact O-N 3.03Å; L133-S137 PolarHBondContact O-OG 3.29Å; S134-S137 PolarHBondContact O-N 2.88Å; I135-S137 VanDerWaalsContact C-N 3.34Å; I135-S137 PolarHBondContact O-N 2.93Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 2.86Å; S137-T140 WeakPolarHBondContact O-CB 3.4Å; S137-T140 PolarHBondContact O-N 3.18Å; S137-D141 PolarHBondContact O-N 2.81Å
138	L	94.2	Very high	93.6	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-38	176.6	-172.7	67.5	0	0	0	112.7	H104 N106 I113 L115 S134 I135 C136 T140 D141 C142	H104-L138 PolarHBondContact NE2-O 3.23Å; N106-L138 HydrophobicContact CB-CD1 4.3Å; N106-L138 HydrophobicContact CB-CD2 4.08Å; I113-L138 HydrophobicContact CG2-CD2 3.9Å; L115-L138 HydrophobicContact CD1-CD2 4.44Å; S134-L138 PolarHBondContact O-N 2.68Å; I135-L138 WeakPolarHBondContact O-CB 3.3Å; I135-L138 PolarHBondContact O-N 2.91Å; C136-L138 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 3.21Å; L138-D141 CarbonylContact O-C 3.52Å; L138-D141 VanDerWaalsContact O-C 3.26Å; L138-C142 WeakPolarHBondContact O-CA 3.44Å; L138-C142 PolarHBondContact O-N 2.85Å
139	L	95.2	Very high	93.7	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-24.3	174.4	-65.4	-174.8	0	0	0	113.5	I66 P69 Y74 F98 I102 I107 I135 C136 S137	I66-L139 HydrophobicContact CG2-CD1 3.96Å; P69-L139 HydrophobicContact CG-CB 4.15Å; Y74-L139 HydrophobicContact CD2-CB 4.03Å; Y74-L139 HydrophobicContact CD2-CD2 4.39Å; Y74-L139 VanDerWaalsContact CD2-O 3.23Å; Y74-L139 WeakPolarHBondContact CD2-O 3.5Å; Y74-L139 HydrophobicContact CE2-CB 4.33Å; Y74-L139 HydrophobicContact CE2-CD2 4.29Å; Y74-L139 WeakPolarHBondContact CE2-O 3.49Å; F98-L139 HydrophobicContact CZ-CD1 4.39Å; F98-L139 HydrophobicContact CZ-CD2 4.18Å; I102-L139 HydrophobicContact CD1-CD2 3.45Å; I102-L139 VanDerWaalsContact CD1-CD2 3.45Å; I107-L139 HydrophobicContact CD1-CD2 4.09Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 3.3Å; C136-L139 PolarHBondContact O-N 3.42Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 2.86Å
140	T	91.5	Very high	93.8	Very high	60 Å²	60	46.3 Å²	46.3	37%	0.368	28%	0.278	S	S	.	.	H	α-helix	trans	-84.7	-46.4	177.1	-50.3	0	0	0	0	110.1	P69 C136 S137 L138	P69-T140 WeakPolarHBondContact CG-OG1 3.4Å; C136-T140 PolarHBondContact O-N 3.46Å; C136-T140 PolarHBondContact O-OG1 3.38Å; S137-T140 WeakPolarHBondContact O-CB 3.4Å; S137-T140 PolarHBondContact O-N 3.18Å; L138-T140 PolarHBondContact O-N 3.21Å
141	D	91	Very high	93.9	Very high	121 Å²	121	45.3 Å²	45.3	65%	0.647	29%	0.285	S	S	*	.	S	Bend	trans	-127.5	93.4	-176.7	-61.3	-52	0	0	0	109.4	S137 L138	S137-D141 PolarHBondContact O-N 2.81Å; L138-D141 CarbonylContact O-C 3.52Å; L138-D141 VanDerWaalsContact O-C 3.26Å
142	C	92.3	Very high	93.9	Very high	22 Å²	22	45.9 Å²	45.9	15%	0.149	29%	0.288	C	S	.	.			trans	-70.9	158.9	178.2	71.9	0	0	0	0	111.4	H104 L138 P144 Y156	H104-C142 WeakPolarHBondContact NE2-CB 3.34Å; L138-C142 WeakPolarHBondContact O-CA 3.44Å; L138-C142 PolarHBondContact O-N 2.85Å; C142-P144 WeakPolarHBondContact O-CD 3.3Å; C142-Y156 VanDerWaalsContact SG-CE2 3.55Å
143	N	92.7	Very high	94	Very high	75 Å²	75	45.8 Å²	45.8	40%	0.401	29%	0.288	S	S	.	.			trans	-107.8	86.5	176.3	-176.7	3.8	0	0	0	110.5	N106 A145 D146	N106-N143 PolarHBondContact ND2-O 2.87Å; N106-N143 PolarHBondContact OD1-N 3.19Å; N143-A145 PolarHBondContact O-N 2.95Å; N143-A145 PolarHBondContact OD1-N 3.38Å; N143-D146 CarbonylContact O-C 3.59Å; N143-D146 PolarHBondContact O-N 2.97Å; N143-D146 PolarHBondContact OD1-N 2.95Å
144	P	92	Very high	94.2	Very high	26 Å²	26	46 Å²	46	17%	0.169	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.2	-178.5	34.9	-40.2	0	0	0	113.1	C142 P147 A153 Y156 M157	C142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-P147 WeakPolarHBondContact O-CD 3.34Å; P144-A153 HydrophobicContact CB-CB 4.09Å; P144-Y156 HydrophobicContact CB-CD1 3.94Å; P144-Y156 HydrophobicContact CG-CD1 3.86Å; P144-Y156 HydrophobicContact CG-CE1 3.97Å; P144-M157 HydrophobicContact CB-CE 3.54Å; P144-M157 HydrophobicContact CB-CG 4.29Å; P144-M157 HydrophobicContact CG-CE 3.79Å; P144-M157 VanDerWaalsContact O-CE 3.3Å; P144-M157 WeakPolarHBondContact O-CE 3.43Å
145	A	91.8	Very high	94.3	Very high	86 Å²	86	46.6 Å²	46.6	71%	0.711	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-22.8	175.9	0	0	0	0	0	113.1	N143 P147	N143-A145 PolarHBondContact O-N 2.95Å; N143-A145 PolarHBondContact OD1-N 3.38Å; A145-P147 VanDerWaalsContact C-CD 3.47Å
146	D	90.8	Very high	94.4	Very high	93 Å²	93	48.8 Å²	48.8	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-126.1	67.3	172.3	-176.3	31.7	0	0	0	111.1	N106 N143	N106-D146 PolarHBondContact ND2-O 3.16Å; N143-D146 CarbonylContact O-C 3.59Å; N143-D146 PolarHBondContact O-N 2.97Å; N143-D146 PolarHBondContact OD1-N 2.95Å
147	P	93.2	Very high	94.4	Very high	47 Å²	47	54.2 Å²	54.2	31%	0.305	33%	0.327	S	S	.	.			trans	-85.1	140.5	-172.2	35.9	-34.8	0	0	0	111.9	C105 P144 A145 A153	C105-P147 HydrophobicContact CB-CB 4.25Å; P144-P147 WeakPolarHBondContact O-CD 3.34Å; A145-P147 VanDerWaalsContact C-CD 3.47Å; P147-A153 HydrophobicContact CB-CB 3.43Å; P147-A153 VanDerWaalsContact CB-CB 3.43Å; P147-A153 HydrophobicContact CG-CB 3.75Å
148	L	94.6	Very high	94.6	Very high	67 Å²	67	57.1 Å²	57.1	35%	0.351	34%	0.343	S	S	.	.	S	Bend	trans	-78.6	-27.9	166.3	-164.8	61.6	0	0	0	111.4	C105 N108 V112 C114	C105-L148 PolarHBondContact O-N 2.82Å; N108-L148 HydrophobicContact CB-CD2 3.67Å; N108-L148 HydrophobicContact CB-CG 4.05Å; V112-L148 HydrophobicContact CB-CD2 4.22Å; V112-L148 HydrophobicContact CG1-CD2 4.22Å; V112-L148 WeakPolarHBondContact O-CD2 3.28Å; C114-L148 HydrophobicContact CB-CB 4.17Å
149	V	95.8	Very high	94.7	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.206	36%	0.359	C	S	.	.	S	Bend	trans	-122.7	91.4	178.1	-168.2	0	0	0	0	109.2	C105 N108 S151 I152 A153	C105-V149 PolarHBondContact O-N 2.94Å; N108-V149 HydrophobicContact CB-CG2 4.08Å; V149-S151 VanDerWaalsContact C-N 3.29Å; V149-S151 PolarHBondContact O-N 3.15Å; V149-I152 HydrophobicContact CB-CB 4.36Å; V149-I152 HydrophobicContact CB-CD1 4.05Å; V149-I152 HydrophobicContact CB-CG1 4.15Å; V149-I152 HydrophobicContact CG1-CB 4.28Å; V149-I152 HydrophobicContact CG1-CD1 3.77Å; V149-I152 HydrophobicContact CG1-CG1 3.66Å; V149-I152 HydrophobicContact CG2-CD1 4.49Å; V149-I152 PolarHBondContact O-N 2.86Å; V149-I152 VanDerWaalsContact O-N 3.16Å; V149-A153 PolarHBondContact O-N 3.1Å
150	G	96.3	Very high	94.8	Very high	39 Å²	39	65.5 Å²	65.5	40%	0.402	38%	0.379	S	S	.	.	H	α-helix	trans	-57	-36.9	-174.7	0	0	0	0	0	114.1	I152 A153 T154	G150-I152 PolarHBondContact O-N 2.83Å; G150-A153 PolarHBondContact O-N 2.85Å; G150-T154 PolarHBondContact O-N 2.86Å; G150-T154 PolarHBondContact O-OG1 2.84Å; G150-T154 VanDerWaalsContact O-OG1 3.1Å
151	S	96.7	Very high	95.1	Very high	87 Å²	87	66.3 Å²	66.3	61%	0.608	39%	0.392	S	S	*	.	H	α-helix	trans	-63.4	-39	178.6	54.9	0	0	0	0	113.3	V149 Q155	V149-S151 VanDerWaalsContact C-N 3.29Å; V149-S151 PolarHBondContact O-N 3.15Å; S151-Q155 WeakPolarHBondContact O-CB 3.47Å; S151-Q155 PolarHBondContact O-N 3.25Å
152	I	97.5	Very high	95.4	Very high	14 Å²	14	63.2 Å²	63.2	7%	0.072	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-40.7	176.3	-59.7	-177.6	0	0	0	109.9	Y103 C105 V149 G150 Q155 Y156	Y103-I152 HydrophobicContact CD1-CD1 4.46Å; Y103-I152 HydrophobicContact CD1-CG2 4.07Å; Y103-I152 HydrophobicContact CD2-CD1 3.87Å; Y103-I152 HydrophobicContact CD2-CG1 4.42Å; Y103-I152 HydrophobicContact CE1-CB 4.41Å; Y103-I152 HydrophobicContact CE1-CD1 4.36Å; Y103-I152 HydrophobicContact CE1-CG1 4.17Å; Y103-I152 HydrophobicContact CE1-CG2 3.62Å; Y103-I152 HydrophobicContact CE2-CD1 3.73Å; Y103-I152 HydrophobicContact CE2-CG1 3.79Å; Y103-I152 HydrophobicContact CG-CD1 4.23Å; C105-I152 HydrophobicContact CB-CB 4.18Å; C105-I152 HydrophobicContact CB-CG2 3.96Å; V149-I152 HydrophobicContact CB-CB 4.36Å; V149-I152 HydrophobicContact CB-CD1 4.05Å; V149-I152 HydrophobicContact CB-CG1 4.15Å; V149-I152 HydrophobicContact CG1-CB 4.28Å; V149-I152 HydrophobicContact CG1-CD1 3.77Å; V149-I152 HydrophobicContact CG1-CG1 3.66Å; V149-I152 HydrophobicContact CG2-CD1 4.49Å; V149-I152 PolarHBondContact O-N 2.86Å; V149-I152 VanDerWaalsContact O-N 3.16Å; G150-I152 PolarHBondContact O-N 2.83Å; I152-Q155 PolarHBondContact O-N 2.82Å; I152-Y156 WeakPolarHBondContact O-CB 3.47Å; I152-Y156 PolarHBondContact O-N 2.96Å
153	A	97.2	Very high	95.7	Very high	4 Å²	4	62.4 Å²	62.4	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-45	176.2	0	0	0	0	0	112.5	C105 P144 P147 V149 G150 Q155 Y156 M157	C105-A153 HydrophobicContact CB-CB 3.9Å; P144-A153 HydrophobicContact CB-CB 4.09Å; P147-A153 HydrophobicContact CB-CB 3.43Å; P147-A153 VanDerWaalsContact CB-CB 3.43Å; P147-A153 HydrophobicContact CG-CB 3.75Å; V149-A153 PolarHBondContact O-N 3.1Å; G150-A153 PolarHBondContact O-N 2.85Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 2.88Å; A153-Y156 WeakPolarHBondContact O-CB 3.46Å; A153-Y156 PolarHBondContact O-N 2.83Å; A153-M157 WeakPolarHBondContact O-CG 3.44Å; A153-M157 PolarHBondContact O-N 3.17Å
154	T	97.2	Very high	95.9	Very high	84 Å²	84	60.1 Å²	60.1	52%	0.515	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-44.6	174.3	-60.1	0	0	0	0	110.7	G150 Y156 M157 T158	G150-T154 PolarHBondContact O-N 2.86Å; G150-T154 PolarHBondContact O-OG1 2.84Å; G150-T154 VanDerWaalsContact O-OG1 3.1Å; T154-Y156 PolarHBondContact O-N 3.15Å; T154-M157 PolarHBondContact O-N 2.92Å; T154-T158 HydrophobicContact CG2-CG2 4.18Å; T154-T158 WeakPolarHBondContact O-CB 3.13Å; T154-T158 WeakPolarHBondContact O-CG2 3.37Å; T154-T158 PolarHBondContact O-N 3.02Å; T154-T158 PolarHBondContact O-OG1 3.16Å
155	Q	97.1	Very high	96.2	Very high	46 Å²	46	64.4 Å²	64.4	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-40.4	176.7	-169.6	178.9	75.4	0	0	111.7	Y103 S151 I152 A153 M157 T158 N159 H163	Y103-Q155 PolarHBondContact OH-OE1 3.42Å; S151-Q155 WeakPolarHBondContact O-CB 3.47Å; S151-Q155 PolarHBondContact O-N 3.25Å; I152-Q155 PolarHBondContact O-N 2.82Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 PolarHBondContact O-N 2.88Å; Q155-M157 VanDerWaalsContact C-N 3.3Å; Q155-M157 PolarHBondContact O-N 2.88Å; Q155-T158 PolarHBondContact O-N 3.38Å; Q155-N159 CarbonylContact O-C 3.56Å; Q155-N159 WeakPolarHBondContact O-CA 3.33Å; Q155-N159 PolarHBondContact O-N 2.94Å; Q155-N159 VanDerWaalsContact O-O 3.05Å; Q155-H163 HydrophobicContact CG-CB 4.17Å
156	Y	96.7	Very high	96.5	Very high	46 Å²	46	62.4 Å²	62.4	18%	0.18	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-41.6	175.1	-177.4	-95.2	0	0	0	112.2	C142 P144 I152 A153 T154 R160 H163	C142-Y156 VanDerWaalsContact SG-CE2 3.55Å; P144-Y156 HydrophobicContact CB-CD1 3.94Å; P144-Y156 HydrophobicContact CG-CD1 3.86Å; P144-Y156 HydrophobicContact CG-CE1 3.97Å; I152-Y156 WeakPolarHBondContact O-CB 3.47Å; I152-Y156 PolarHBondContact O-N 2.96Å; A153-Y156 WeakPolarHBondContact O-CB 3.46Å; A153-Y156 PolarHBondContact O-N 2.83Å; T154-Y156 PolarHBondContact O-N 3.15Å; Y156-R160 VanDerWaalsContact CE2-NH1 3.29Å; Y156-R160 PolarHBondContact OH-NH1 2.85Å; Y156-H163 AromaticContact CD2-CD2 3.83Å; Y156-H163 AromaticContact CD2-CE1 3.54Å; Y156-H163 AromaticContact CD2-CG 3.82Å; Y156-H163 AromaticContact CD2-ND1 3.62Å; Y156-H163 AromaticContact CD2-NE2 3.65Å
157	M	95.5	Very high	96.8	Very high	119 Å²	119	58 Å²	58	59%	0.586	32%	0.32	S	S	*	.	H	α-helix	trans	-77.9	-38.1	-179.8	-66.8	-171.6	-172.9	0	0	113.6	P144 A153 T154 Q155	P144-M157 HydrophobicContact CB-CE 3.54Å; P144-M157 HydrophobicContact CB-CG 4.29Å; P144-M157 HydrophobicContact CG-CE 3.79Å; P144-M157 VanDerWaalsContact O-CE 3.3Å; P144-M157 WeakPolarHBondContact O-CE 3.43Å; A153-M157 WeakPolarHBondContact O-CG 3.44Å; A153-M157 PolarHBondContact O-N 3.17Å; T154-M157 PolarHBondContact O-N 2.92Å; Q155-M157 VanDerWaalsContact C-N 3.3Å; Q155-M157 PolarHBondContact O-N 2.88Å
158	T	97.2	Very high	97.1	Very high	110 Å²	110	61.8 Å²	61.8	68%	0.675	33%	0.329	S	S	*	.	H	α-helix	trans	-98.1	-28.1	-171.1	59.7	0	0	0	0	114.1	T154 Q155	T154-T158 HydrophobicContact CG2-CG2 4.18Å; T154-T158 WeakPolarHBondContact O-CB 3.13Å; T154-T158 WeakPolarHBondContact O-CG2 3.37Å; T154-T158 PolarHBondContact O-N 3.02Å; T154-T158 PolarHBondContact O-OG1 3.16Å; Q155-T158 PolarHBondContact O-N 3.38Å
159	N	96.8	Very high	97.2	Very high	78 Å²	78	63.3 Å²	63.3	42%	0.417	33%	0.334	S	S	.	.			trans	-147.8	73.2	-179.4	-170.3	-12.7	0	0	0	110.9	Q155 A161 E162 H163	Q155-N159 CarbonylContact O-C 3.56Å; Q155-N159 WeakPolarHBondContact O-CA 3.33Å; Q155-N159 PolarHBondContact O-N 2.94Å; Q155-N159 VanDerWaalsContact O-O 3.05Å; N159-A161 PolarHBondContact O-N 2.93Å; N159-E162 HydrophobicContact CB-CB 4.32Å; N159-E162 VanDerWaalsContact CG-CB 3.48Å; N159-E162 WeakPolarHBondContact ND2-CB 3Å; N159-E162 PolarHBondContact O-N 2.88Å; N159-E162 WeakPolarHBondContact OD1-CB 3.1Å; N159-E162 PolarHBondContact OD1-N 2.81Å; N159-E162 VanDerWaalsContact OD1-N 3.11Å; N159-H163 PolarHBondContact O-N 3.28Å
160	R	96.6	Very high	97.3	Very high	118 Å²	118	65.1 Å²	65.1	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-35.1	-179.2	-178.3	57.4	-178.5	-91.9	3.9	113.3	Y156 H163 D164	Y156-R160 VanDerWaalsContact CE2-NH1 3.29Å; Y156-R160 PolarHBondContact OH-NH1 2.85Å; R160-H163 PolarHBondContact O-N 2.85Å; R160-D164 WeakPolarHBondContact CD-OD1 3.37Å; R160-D164 IonicContact CZ-OD1 3.49Å; R160-D164 IonicContact NE-OD1 3.96Å; R160-D164 PolarHBondContact NE-OD1 3.44Å; R160-D164 IonicContact NE-OD2 3.8Å; R160-D164 PolarHBondContact NE-OD2 3.35Å; R160-D164 IonicContact NH2-OD1 2.77Å; R160-D164 WeakPolarHBondContact O-CB 3.46Å; R160-D164 VanDerWaalsContact O-CG 3.31Å; R160-D164 PolarHBondContact O-N 3.49Å
161	A	97.7	Very high	97.4	Very high	77 Å²	77	63.6 Å²	63.6	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-63.4	-45	179.2	0	0	0	0	0	111.9	N159 D164 R165	N159-A161 PolarHBondContact O-N 2.93Å; A161-D164 PolarHBondContact O-N 3.5Å; A161-R165 WeakPolarHBondContact O-CB 3.33Å; A161-R165 PolarHBondContact O-N 3.07Å
162	E	97.9	Very high	97.5	Very high	56 Å²	56	67.2 Å²	67.2	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-70.3	-40	177.3	179.9	59.2	-169.3	0	0	112	N159 D164 R165 M166	N159-E162 HydrophobicContact CB-CB 4.32Å; N159-E162 VanDerWaalsContact CG-CB 3.48Å; N159-E162 WeakPolarHBondContact ND2-CB 3Å; N159-E162 PolarHBondContact O-N 2.88Å; N159-E162 WeakPolarHBondContact OD1-CB 3.1Å; N159-E162 PolarHBondContact OD1-N 2.81Å; N159-E162 VanDerWaalsContact OD1-N 3.11Å; E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 3.1Å; E162-R165 PolarHBondContact O-N 3.39Å; E162-R165 IonicContact OE1-CZ 3.32Å; E162-R165 IonicContact OE1-NE 3.55Å; E162-R165 IonicContact OE1-NH2 2.8Å; E162-R165 PolarHBondContact OE1-NH2 2.82Å; E162-R165 IonicContact OE2-CZ 4Å; E162-R165 IonicContact OE2-NE 3.58Å; E162-R165 PolarHBondContact OE2-NE 3.4Å; E162-R165 IonicContact OE2-NH2 2.93Å; E162-R165 PolarHBondContact OE2-NH2 3.15Å; E162-M166 HydrophobicContact CG-CG 4.49Å; E162-M166 WeakPolarHBondContact O-CB 3.46Å; E162-M166 WeakPolarHBondContact O-CG 3.41Å; E162-M166 PolarHBondContact O-N 2.85Å
163	H	98	Very high	97.5	Very high	4 Å²	4	75 Å²	75	2%	0.019	35%	0.353	C	S	.	.	H	α-helix	trans	-53	-51.5	171.4	168.3	-80.9	0	0	0	110.9	Y103 Q155 Y156 N159 R160 R165 M166 A167	Y103-H163 AromaticContact CE1-CD2 3.77Å; Q155-H163 HydrophobicContact CG-CB 4.17Å; Y156-H163 AromaticContact CD2-CD2 3.83Å; Y156-H163 AromaticContact CD2-CE1 3.54Å; Y156-H163 AromaticContact CD2-CG 3.82Å; Y156-H163 AromaticContact CD2-ND1 3.62Å; Y156-H163 AromaticContact CD2-NE2 3.65Å; N159-H163 PolarHBondContact O-N 3.28Å; R160-H163 PolarHBondContact O-N 2.85Å; H163-R165 PolarHBondContact O-N 2.88Å; H163-M166 PolarHBondContact O-N 2.8Å; H163-A167 WeakPolarHBondContact O-CB 3.42Å; H163-A167 PolarHBondContact O-N 3.09Å
164	D	97.7	Very high	97.5	Very high	27 Å²	27	77.9 Å²	77.9	14%	0.144	36%	0.364	C	S	.	.	H	α-helix	trans	-67.7	-36.6	-176.8	-74.6	8.8	0	0	0	112	V73 R160 A161 E162 R168	V73-D164 HydrophobicContact CG1-CB 3.68Å; V73-D164 VanDerWaalsContact CG1-CG 3.43Å; V73-D164 WeakPolarHBondContact CG1-OD1 3.2Å; R160-D164 WeakPolarHBondContact CD-OD1 3.37Å; R160-D164 IonicContact CZ-OD1 3.49Å; R160-D164 IonicContact NE-OD1 3.96Å; R160-D164 PolarHBondContact NE-OD1 3.44Å; R160-D164 IonicContact NE-OD2 3.8Å; R160-D164 PolarHBondContact NE-OD2 3.35Å; R160-D164 IonicContact NH2-OD1 2.77Å; R160-D164 WeakPolarHBondContact O-CB 3.46Å; R160-D164 VanDerWaalsContact O-CG 3.31Å; R160-D164 PolarHBondContact O-N 3.49Å; A161-D164 PolarHBondContact O-N 3.5Å; E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 3.1Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 VanDerWaalsContact O-CG 3.27Å; D164-R168 WeakPolarHBondContact O-CG 3.43Å; D164-R168 PolarHBondContact O-N 3.13Å; D164-R168 IonicContact OD2-NH2 3.71Å
165	R	98.1	Very high	97.5	Very high	116 Å²	116	74.1 Å²	74.1	44%	0.438	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-48.1	173.6	-168	-165.6	68.2	67.8	-0.2	110.9	A161 E162 H163 Q169	A161-R165 WeakPolarHBondContact O-CB 3.33Å; A161-R165 PolarHBondContact O-N 3.07Å; E162-R165 PolarHBondContact O-N 3.39Å; E162-R165 IonicContact OE1-CZ 3.32Å; E162-R165 IonicContact OE1-NE 3.55Å; E162-R165 IonicContact OE1-NH2 2.8Å; E162-R165 PolarHBondContact OE1-NH2 2.82Å; E162-R165 IonicContact OE2-CZ 4Å; E162-R165 IonicContact OE2-NE 3.58Å; E162-R165 PolarHBondContact OE2-NE 3.4Å; E162-R165 IonicContact OE2-NH2 2.93Å; E162-R165 PolarHBondContact OE2-NH2 3.15Å; H163-R165 PolarHBondContact O-N 2.88Å; R165-Q169 WeakPolarHBondContact O-CB 3.43Å; R165-Q169 PolarHBondContact O-N 2.94Å
166	M	97.8	Very high	97.2	Very high	44 Å²	44	78.3 Å²	78.3	22%	0.217	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-44.3	178.9	-74.3	-64.6	-72	0	0	111.9	Y103 E162 H163 Q169 W170	Y103-M166 HydrophobicContact CD1-CB 4.3Å; Y103-M166 HydrophobicContact CE1-CB 4.07Å; E162-M166 HydrophobicContact CG-CG 4.49Å; E162-M166 WeakPolarHBondContact O-CB 3.46Å; E162-M166 WeakPolarHBondContact O-CG 3.41Å; E162-M166 PolarHBondContact O-N 2.85Å; H163-M166 PolarHBondContact O-N 2.8Å; M166-Q169 PolarHBondContact O-N 3.37Å; M166-W170 VanDerWaalsContact O-CD1 3.28Å; M166-W170 PolarHBondContact O-N 3.09Å
167	A	98	Very high	97.2	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-46.8	178.3	0	0	0	0	0	112.1	V73 Y74 Y103 H163 Q169 W170 T171	V73-A167 HydrophobicContact CB-CB 3.68Å; V73-A167 HydrophobicContact CG1-CB 4.31Å; V73-A167 HydrophobicContact CG2-CB 3.49Å; V73-A167 VanDerWaalsContact CG2-CB 3.49Å; Y74-A167 HydrophobicContact CE1-CB 4.3Å; Y103-A167 HydrophobicContact CD1-CB 4.08Å; H163-A167 WeakPolarHBondContact O-CB 3.42Å; H163-A167 PolarHBondContact O-N 3.09Å; A167-Q169 VanDerWaalsContact C-N 3.33Å; A167-Q169 PolarHBondContact O-N 3.09Å; A167-W170 PolarHBondContact O-N 3.03Å; A167-T171 PolarHBondContact O-N 2.92Å; A167-T171 PolarHBondContact O-OG1 3.2Å
168	R	97.9	Very high	97.3	Very high	127 Å²	127	77.8 Å²	77.8	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-40	174.6	-69.8	178.3	-140.7	-81.3	-0.6	112.3	V73 D164 W170 T171 K172	V73-R168 HydrophobicContact CB-CG 4.08Å; V73-R168 HydrophobicContact CG1-CG 4.41Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 VanDerWaalsContact O-CG 3.27Å; D164-R168 WeakPolarHBondContact O-CG 3.43Å; D164-R168 PolarHBondContact O-N 3.13Å; D164-R168 IonicContact OD2-NH2 3.71Å; R168-W170 VanDerWaalsContact C-N 3.33Å; R168-W170 PolarHBondContact O-N 3.39Å; R168-T171 PolarHBondContact O-N 3.38Å; R168-K172 WeakPolarHBondContact O-CB 3.48Å; R168-K172 PolarHBondContact O-N 3.27Å
169	Q	98	Very high	97.3	Very high	99 Å²	99	76.1 Å²	76.1	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-40.1	176.6	-174.3	176.1	10.3	0	0	111.7	R165 M166 A167 R173	R165-Q169 WeakPolarHBondContact O-CB 3.43Å; R165-Q169 PolarHBondContact O-N 2.94Å; M166-Q169 PolarHBondContact O-N 3.37Å; A167-Q169 VanDerWaalsContact C-N 3.33Å; A167-Q169 PolarHBondContact O-N 3.09Å; Q169-R173 VanDerWaalsContact O-CB 3.3Å; Q169-R173 WeakPolarHBondContact O-CB 3.48Å; Q169-R173 PolarHBondContact O-N 3.38Å
170	W	98.1	Very high	97.3	Very high	73 Å²	73	75.9 Å²	75.9	28%	0.277	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-44.3	175.3	-87.2	54.4	0	0	0	112.3	R101 I102 Y103 M166 A167 R168 K172 R173 Y174	R101-W170 HydrophobicContact CB-CE3 4.37Å; R101-W170 HydrophobicContact CB-CZ3 4.19Å; I102-W170 VanDerWaalsContact C-CE3 3.44Å; I102-W170 WeakPolarHBondContact O-CZ3 3.12Å; Y103-W170 HydrophobicContact CD2-CD2 4.16Å; Y103-W170 AromaticContact CD2-CE2 3.89Å; Y103-W170 HydrophobicContact CD2-CZ2 4.12Å; Y103-W170 HydrophobicContact CG-CD2 4.43Å; M166-W170 VanDerWaalsContact O-CD1 3.28Å; M166-W170 PolarHBondContact O-N 3.09Å; A167-W170 PolarHBondContact O-N 3.03Å; R168-W170 VanDerWaalsContact C-N 3.33Å; R168-W170 PolarHBondContact O-N 3.39Å; W170-K172 VanDerWaalsContact C-N 3.32Å; W170-K172 PolarHBondContact O-N 2.87Å; W170-R173 PolarHBondContact O-N 2.83Å; W170-Y174 HydrophobicContact CB-CD2 4.18Å; W170-Y174 HydrophobicContact CB-CE2 4.49Å; W170-Y174 HydrophobicContact CD2-CD2 4.02Å; W170-Y174 AromaticContact CD2-CE2 3.72Å; W170-Y174 HydrophobicContact CD2-CE2 3.72Å; W170-Y174 AromaticContact CE3-CD2 3.92Å; W170-Y174 HydrophobicContact CE3-CD2 3.92Å; W170-Y174 AromaticContact CE3-CE2 3.88Å; W170-Y174 HydrophobicContact CE3-CE2 3.88Å; W170-Y174 HydrophobicContact CG-CD2 4.15Å; W170-Y174 HydrophobicContact CG-CE2 4Å; W170-Y174 HydrophobicContact CZ3-CE2 4.48Å; W170-Y174 WeakPolarHBondContact O-CD2 3.37Å; W170-Y174 PolarHBondContact O-N 3.24Å
171	T	98.1	Very high	97.4	Very high	6 Å²	6	73.3 Å²	73.3	4%	0.037	34%	0.342	C	S	.	.	H	α-helix	trans	-53.6	-51.3	174.3	-57.6	0	0	0	0	110.4	V73 Y74 F79 A167 R168 R173 A175 T176	V73-T171 PolarHBondContact O-OG1 2.99Å; V73-T171 VanDerWaalsContact O-OG1 3.08Å; Y74-T171 WeakPolarHBondContact O-CG2 3.3Å; F79-T171 HydrophobicContact CZ-CG2 4.2Å; A167-T171 PolarHBondContact O-N 2.92Å; A167-T171 PolarHBondContact O-OG1 3.2Å; R168-T171 PolarHBondContact O-N 3.38Å; T171-R173 VanDerWaalsContact C-N 3.27Å; T171-R173 PolarHBondContact O-N 3.06Å; T171-A175 HydrophobicContact CG2-CB 4.42Å; T171-A175 CarbonylContact O-C 3.54Å; T171-A175 WeakPolarHBondContact O-CA 3.31Å; T171-A175 WeakPolarHBondContact O-CB 3.35Å; T171-A175 PolarHBondContact O-N 2.77Å; T171-T176 PolarHBondContact O-N 3.03Å
172	K	97.7	Very high	97.4	Very high	164 Å²	164	73.1 Å²	73.1	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-27.4	177.7	-175.2	174.5	-179.1	177.9	0	113.9	R168 W170 T176	R168-K172 WeakPolarHBondContact O-CB 3.48Å; R168-K172 PolarHBondContact O-N 3.27Å; W170-K172 VanDerWaalsContact C-N 3.32Å; W170-K172 PolarHBondContact O-N 2.87Å; K172-T176 PolarHBondContact O-OG1 2.78Å
173	R	98	Very high	97.3	Very high	176 Å²	176	74.3 Å²	74.3	66%	0.664	33%	0.326	S	S	*	.	H	α-helix	trans	-86.9	-33.2	-176.6	-172.5	173.6	-179.3	-178.7	4.5	113	Q169 W170 T171	Q169-R173 VanDerWaalsContact O-CB 3.3Å; Q169-R173 WeakPolarHBondContact O-CB 3.48Å; Q169-R173 PolarHBondContact O-N 3.38Å; W170-R173 PolarHBondContact O-N 2.83Å; T171-R173 VanDerWaalsContact C-N 3.27Å; T171-R173 PolarHBondContact O-N 3.06Å
174	Y	97.5	Very high	97.3	Very high	65 Å²	65	79.7 Å²	79.7	26%	0.255	35%	0.35	S	S	.	.	H	α-helix	trans	-122.3	-16.4	-166.9	-57.2	-57.4	0	0	0	114.2	T100 R101 W170	T100-Y174 VanDerWaalsContact CG2-O 3.28Å; T100-Y174 WeakPolarHBondContact CG2-O 3.41Å; R101-Y174 HydrophobicContact CB-CD2 3.98Å; R101-Y174 HydrophobicContact CB-CG 3.99Å; W170-Y174 HydrophobicContact CB-CD2 4.18Å; W170-Y174 HydrophobicContact CB-CE2 4.49Å; W170-Y174 HydrophobicContact CD2-CD2 4.02Å; W170-Y174 AromaticContact CD2-CE2 3.72Å; W170-Y174 HydrophobicContact CD2-CE2 3.72Å; W170-Y174 AromaticContact CE3-CD2 3.92Å; W170-Y174 HydrophobicContact CE3-CD2 3.92Å; W170-Y174 AromaticContact CE3-CE2 3.88Å; W170-Y174 HydrophobicContact CE3-CE2 3.88Å; W170-Y174 HydrophobicContact CG-CD2 4.15Å; W170-Y174 HydrophobicContact CG-CE2 4Å; W170-Y174 HydrophobicContact CZ3-CE2 4.48Å; W170-Y174 WeakPolarHBondContact O-CD2 3.37Å; W170-Y174 PolarHBondContact O-N 3.24Å
175	A	96.6	Very high	97.3	Very high	6 Å²	6	84.1 Å²	84.1	5%	0.05	37%	0.367	C	S	.	.			trans	-123.3	4.4	-172.7	0	0	0	0	0	113.8	G77 V78 F79 T100 T171	G77-A175 CarbonylContact C-O 3.59Å; G77-A175 WeakPolarHBondContact CA-O 3.35Å; V78-A175 PolarHBondContact N-O 2.91Å; F79-A175 HydrophobicContact CD1-CB 4.05Å; F79-A175 HydrophobicContact CE1-CB 3.63Å; F79-A175 HydrophobicContact CE2-CB 4.34Å; F79-A175 HydrophobicContact CZ-CB 3.79Å; T100-A175 HydrophobicContact CG2-CB 3.84Å; T171-A175 HydrophobicContact CG2-CB 4.42Å; T171-A175 CarbonylContact O-C 3.54Å; T171-A175 WeakPolarHBondContact O-CA 3.31Å; T171-A175 WeakPolarHBondContact O-CB 3.35Å; T171-A175 PolarHBondContact O-N 2.77Å
176	T	91.3	Very high	97.2	Very high	133 Å²	133	81.2 Å²	81.2	82%	0.816	36%	0.361	S	S	*	.			trans	-120.3	0	173.1	60.4	0	0	0	0	109.5	T171 K172	T171-T176 PolarHBondContact O-N 3.03Å; K172-T176 PolarHBondContact O-OG1 2.78Å

Retrieved 176 of 176 residues in 53.4 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).