A0A087WQR0_MOUSE Loading...

Complex I-75kD

AlphaFold DB , UniProt , Accession A0A087WQR0, Species MOUSE (Mus musculus, Mouse), Gene Ndufs1, Length 118 aa.

						>A0A087WQR0_MOUSE|A0A087WQR0|Ndufs1
MLRIPIKRALIGLSNSPKGYVRTTGTAASNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRMCLVEIEKAPKVVAACAMPVMKGWNILTNSEKSKKAREGVME
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.4	Very low	51.2	Low	242 Å²	242	171.8 Å²	171.8	100%	1.192	85%	0.846	S	S	*	*				0	61.5	0	-67.3	177.1	173.7	0	0	110.3
2	L	43.5	Very low	50.2	Low	178 Å²	178	164.4 Å²	164.4	93%	0.932	85%	0.847	S	S	*	*			trans	-102.2	103.3	179.1	-80.1	158.2	0	0	0	108.7	I4	L2-I4 PolarHBondContact O-N 3.18Å
3	R	51.6	Low	50	Low	250 Å²	250	164.8 Å²	164.8	94%	0.943	85%	0.85	S	S	*	*			trans	-69.7	115.4	177.4	-77.1	178.2	167.5	175.6	-4	109.4
4	I	56.4	Low	49.9	Very low	142 Å²	142	161.2 Å²	161.2	73%	0.728	85%	0.847	S	S	*	*			trans	-76.9	132.5	167.1	-55.8	163	0	0	0	108.1	L2 I6	L2-I4 PolarHBondContact O-N 3.18Å; I4-I6 HydrophobicContact CG2-CG1 4.04Å
5	P	58.8	Low	50	Low	123 Å²	123	161.9 Å²	161.9	80%	0.799	85%	0.852	S	S	*	*			trans	-100.2	102.6	153.8	31.1	-19.4	0	0	0	109.1	K7	P5-K7 PolarHBondContact O-N 2.79Å
6	I	62	Low	50.2	Low	142 Å²	142	158.5 Å²	158.5	73%	0.728	85%	0.845	S	S	*	*			trans	-63.1	123.3	154.1	-66.1	163.4	0	0	0	106.1	I4	I4-I6 HydrophobicContact CG2-CG1 4.04Å
7	K	42.7	Very low	50	Low	184 Å²	184	155.8 Å²	155.8	80%	0.8	84%	0.838	S	S	*	*			trans	-176.3	126.4	140.7	-100.2	158.1	-164	-164.5	0	112.9	P5	P5-K7 PolarHBondContact O-N 2.79Å
8	R	49.9	Very low	50.3	Low	234 Å²	234	159.1 Å²	159.1	88%	0.883	84%	0.844	S	S	*	*			trans	68.7	96.2	142.9	-76.9	175.8	157.2	177.9	-8.1	116.8
9	A	50	Low	49.8	Very low	84 Å²	84	153.8 Å²	153.8	69%	0.694	83%	0.831	S	S	*	*				77	133.7	68.4	0	0	0	0	0	114.3
10	L	51.7	Low	50.2	Low	149 Å²	149	155.7 Å²	155.7	78%	0.78	83%	0.827	S	S	*	*			trans	83.8	95.1	157.3	-46.2	-179.9	0	0	0	114.8
11	I	48	Very low	50.4	Low	162 Å²	162	154.8 Å²	154.8	83%	0.831	83%	0.827	S	S	*	*				60.8	103	82.7	-58.1	165.1	0	0	0	110.7
12	G	39.6	Very low	50.7	Low	83 Å²	83	153.2 Å²	153.2	86%	0.856	81%	0.808	S	S	*	*			trans	-152.4	55	174.8	0	0	0	0	0	111.1
13	L	47.9	Very low	51.3	Low	170 Å²	170	149 Å²	149	89%	0.89	79%	0.79	S	S	*	*			trans	-104	107.6	166.3	-91	154.9	0	0	0	107.9
14	S	48.6	Very low	51.6	Low	114 Å²	114	143.5 Å²	143.5	80%	0.797	78%	0.784	S	S	*	*			trans	-161.4	84.8	147.5	53.3	0	0	0	0	110.8	S16	S14-S16 PolarHBondContact O-N 3.29Å; S14-S16 VanDerWaalsContact O-N 3.13Å
15	N	50.6	Low	51.2	Low	172 Å²	172	140.5 Å²	140.5	92%	0.92	79%	0.788	S	S	*	*			trans	-64.4	105	156.1	-90.1	-16.6	0	0	0	107.9
16	S	53	Low	50.7	Low	107 Å²	107	140.8 Å²	140.8	75%	0.748	79%	0.787	S	S	*	*			trans	-89.3	119.3	172.6	-166	0	0	0	0	109.2	S14 K18	S14-S16 PolarHBondContact O-N 3.29Å; S14-S16 VanDerWaalsContact O-N 3.13Å; S16-K18 PolarHBondContact O-N 2.75Å
17	P	47.8	Very low	50.4	Low	112 Å²	112	138.5 Å²	138.5	73%	0.727	79%	0.79	S	S	*	*			trans	-72	121.9	175.2	30.5	-29.2	0	0	0	107.5	G19	P17-G19 PolarHBondContact O-N 3.43Å
18	K	54.1	Low	50.9	Low	216 Å²	216	133.1 Å²	133.1	94%	0.939	78%	0.78	S	S	*	*			trans	-67.7	81	165.5	-84.2	-177.3	177.2	177.4	0	108.3	S16 Y20	S16-K18 PolarHBondContact O-N 2.75Å; K18-Y20 PolarHBondContact O-N 2.75Å
19	G	42	Very low	51.7	Low	58 Å²	58	127.3 Å²	127.3	60%	0.598	78%	0.775	S	S	*	*			trans	-63.1	122.8	169.1	0	0	0	0	0	109.7	P17 V21	P17-G19 PolarHBondContact O-N 3.43Å; G19-V21 PolarHBondContact O-N 3.37Å; G19-V21 VanDerWaalsContact O-N 3.16Å
20	Y	57	Low	53.3	Low	192 Å²	192	128.8 Å²	128.8	75%	0.753	77%	0.772	S	S	*	*			trans	-39.7	110.4	157.5	174.3	-104.6	0	0	0	111.3	K18 R22	K18-Y20 PolarHBondContact O-N 2.75Å; Y20-R22 PolarHBondContact O-N 3.16Å
21	V	55.7	Low	55.2	Low	137 Å²	137	126 Å²	126	83%	0.83	76%	0.757	S	S	*	*			trans	-89.2	98	167	178.8	0	0	0	0	108.5	G19	G19-V21 PolarHBondContact O-N 3.37Å; G19-V21 VanDerWaalsContact O-N 3.16Å
22	R	53.6	Low	57.4	Low	209 Å²	209	119.7 Å²	119.7	79%	0.789	72%	0.724	S	S	*	*			trans	15.2	110.9	142.4	-80.2	173	152.2	-179.8	-7.8	117.8	Y20	Y20-R22 PolarHBondContact O-N 3.16Å
23	T	56.9	Low	60	Low	89 Å²	89	119.5 Å²	119.5	55%	0.546	70%	0.701	S	S	.	*				19.8	143.5	119	51.1	0	0	0	0	120.6
24	T	56.4	Low	62.3	Low	134 Å²	134	111.4 Å²	111.4	82%	0.822	66%	0.659	S	S	*	*			trans	80.7	104.4	145.6	57	0	0	0	0	118.6
25	G	48.7	Very low	64.5	Low	79 Å²	79	109.2 Å²	109.2	81%	0.814	64%	0.635	S	S	*	*			trans	-124.5	89.9	151.5	0	0	0	0	0	109.4	A27	G25-A27 PolarHBondContact O-N 3.09Å
26	T	48.3	Very low	66.6	Low	129 Å²	129	101.1 Å²	101.1	79%	0.791	59%	0.592	S	S	*	*			trans	-49.4	116.8	160.3	-57.7	0	0	0	0	108.2	A28	T26-A28 PolarHBondContact O-N 3.42Å
27	A	55.1	Low	68.6	Low	95 Å²	95	99.2 Å²	99.2	79%	0.785	57%	0.573	S	S	*	*			trans	-67.4	84.5	171.6	0	0	0	0	0	108.4	G25 S29	G25-A27 PolarHBondContact O-N 3.09Å; A27-S29 PolarHBondContact O-N 2.95Å
28	A	54.6	Low	70.6	Confident	71 Å²	71	96.7 Å²	96.7	59%	0.587	57%	0.568	S	S	*	*			trans	-65.9	121.5	175.4	0	0	0	0	0	108.5	T26 N30	T26-A28 PolarHBondContact O-N 3.42Å; A28-N30 PolarHBondContact O-N 3.28Å
29	S	65.1	Low	72.4	Confident	112 Å²	112	92 Å²	92	78%	0.783	55%	0.549	S	S	*	.			trans	-54.2	60.2	-175.1	52.2	0	0	0	0	116.1	A27 L31	A27-S29 PolarHBondContact O-N 2.95Å; S29-L31 VanDerWaalsContact C-N 3.33Å
30	N	85.1	Confident	74.9	Confident	115 Å²	115	93.1 Å²	93.1	62%	0.615	55%	0.547	S	S	*	.			trans	-98	37.1	173.9	-69.5	-27.2	0	0	0	111.8	A28 I32 P45	A28-N30 PolarHBondContact O-N 3.28Å; N30-I32 PolarHBondContact O-N 3.03Å; N30-P45 HydrophobicContact CB-CG 4.09Å; N30-P45 WeakPolarHBondContact O-CD 3.28Å; N30-P45 WeakPolarHBondContact O-CG 3.46Å
31	L	90.9	Very high	76.7	Confident	89 Å²	89	84.9 Å²	84.9	47%	0.466	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-66.1	131.4	178.6	-63.9	172.5	0	0	0	109.9	S29 M42 V43 E44	S29-L31 VanDerWaalsContact C-N 3.33Å; L31-M42 HydrophobicContact CB-CB 4.28Å; L31-M42 HydrophobicContact CB-CE 3.79Å; L31-M42 HydrophobicContact CD1-CB 4.24Å; L31-V43 CarbonylContact C-O 3.55Å; L31-V43 WeakPolarHBondContact CA-O 3.42Å; L31-E44 HydrophobicContact CD2-CG 3.82Å
32	I	93.6	Very high	78.5	Confident	30 Å²	30	82.9 Å²	82.9	15%	0.154	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.3	173.6	56.2	172.2	0	0	0	109.3	N30 V43 P45 V96 K98	N30-I32 PolarHBondContact O-N 3.03Å; I32-V43 HydrophobicContact CD1-CG2 4.23Å; I32-V43 HydrophobicContact CG1-CG2 3.75Å; I32-V43 WeakPolarHBondContact CG1-O 3.3Å; I32-V43 PolarHBondContact N-O 2.88Å; I32-V43 PolarHBondContact O-N 3.01Å; I32-P45 HydrophobicContact CG2-CG 4.46Å; I32-V96 HydrophobicContact CD1-CB 4.46Å; I32-V96 HydrophobicContact CD1-CG2 3.53Å; I32-V96 WeakPolarHBondContact CD1-O 3.26Å; I32-V96 HydrophobicContact CG1-CG2 4.36Å; I32-K98 HydrophobicContact CB-CB 4.32Å; I32-K98 HydrophobicContact CG2-CB 4.34Å
33	E	94.6	Very high	80.5	Confident	80 Å²	80	73 Å²	73	37%	0.374	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131	174.4	-172.3	177.2	-162	0	0	109.8	F35 M42 G99	E33-F35 HydrophobicContact CG-CZ 4.34Å; E33-M42 HydrophobicContact CB-CE 4.43Å; E33-M42 HydrophobicContact CB-SD 3.6Å; E33-M42 HydrophobicContact CG-SD 3.92Å; E33-G99 PolarHBondContact O-N 3.33Å
34	V	95.6	Very high	82.2	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.5	173.8	-54.6	0	0	0	0	109.4	S40 V41 V43 A52 V96 M97	V34-S40 WeakPolarHBondContact O-CA 3.03Å; V34-V41 HydrophobicContact CG2-CG1 3.36Å; V34-V41 PolarHBondContact N-O 2.94Å; V34-V41 PolarHBondContact O-N 2.83Å; V34-V43 HydrophobicContact CG1-CG2 4.25Å; V34-V43 HydrophobicContact CG2-CG1 4.44Å; V34-V43 HydrophobicContact CG2-CG2 4.1Å; V34-A52 HydrophobicContact CG2-CB 4.24Å; V34-V96 HydrophobicContact CG1-CB 3.93Å; V34-V96 HydrophobicContact CG1-CG1 4.5Å; V34-V96 HydrophobicContact CG1-CG2 4.1Å; V34-M97 WeakPolarHBondContact CG1-O 3.5Å
35	F	95.9	Very high	83.9	Confident	68 Å²	68	71.7 Å²	71.7	30%	0.298	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134	179.5	-57	-87.6	0	0	0	109.3	E33 Q39 W100 N101 I102	E33-F35 HydrophobicContact CG-CZ 4.34Å; F35-Q39 CarbonylContact C-O 3.53Å; F35-Q39 VanDerWaalsContact CA-O 3.3Å; F35-Q39 WeakPolarHBondContact CA-O 3.37Å; F35-W100 PolarHBondContact N-O 3.14Å; F35-N101 HydrophobicContact CB-CB 4.13Å; F35-N101 CarbonylContact O-C 3.6Å; F35-N101 WeakPolarHBondContact O-CA 3.5Å; F35-I102 PolarHBondContact O-N 3.43Å
36	V	95.5	Very high	86	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	108.8	176.6	-179.8	0	0	0	0	107.3	G38 Q39 V41 C53 V56 M58 I102	V36-G38 PolarHBondContact O-N 3.48Å; V36-G38 VanDerWaalsContact O-N 3.1Å; V36-Q39 PolarHBondContact N-O 3.4Å; V36-Q39 WeakPolarHBondContact O-CB 3.35Å; V36-Q39 PolarHBondContact O-N 2.81Å; V36-V41 HydrophobicContact CG2-CG1 3.98Å; V36-C53 HydrophobicContact CG1-CB 4.36Å; V36-V56 HydrophobicContact CB-CG2 4.2Å; V36-V56 HydrophobicContact CG2-CG2 4.23Å; V36-M58 HydrophobicContact CG1-CE 3.16Å; V36-I102 HydrophobicContact CG2-CD1 4Å
37	D	93.4	Very high	88.2	Confident	67 Å²	67	65.2 Å²	65.2	36%	0.358	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	38.9	-174.8	-61.5	-53.7	0	0	0	113.1	M58 I102 L103 T104	D37-M58 WeakPolarHBondContact OD2-CE 3.46Å; D37-I102 PolarHBondContact N-O 3.03Å; D37-L103 WeakPolarHBondContact OD1-CA 3.11Å; D37-T104 PolarHBondContact OD1-N 3.31Å; D37-T104 PolarHBondContact OD2-OG1 2.96Å
38	G	90	Very high	90.1	Very high	59 Å²	59	61.5 Å²	61.5	61%	0.608	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-4.2	-178.5	0	0	0	0	0	116	V36	V36-G38 PolarHBondContact O-N 3.48Å; V36-G38 VanDerWaalsContact O-N 3.1Å
39	Q	92.9	Very high	92.1	Very high	119 Å²	119	58.1 Å²	58.1	56%	0.556	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.5	174.6	-58.9	-174.6	41.5	0	0	110.8	F35 V36 V56	F35-Q39 CarbonylContact C-O 3.53Å; F35-Q39 VanDerWaalsContact CA-O 3.3Å; F35-Q39 WeakPolarHBondContact CA-O 3.37Å; V36-Q39 PolarHBondContact N-O 3.4Å; V36-Q39 WeakPolarHBondContact O-CB 3.35Å; V36-Q39 PolarHBondContact O-N 2.81Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 HydrophobicContact CG-CG1 4.44Å
40	S	94.2	Very high	93.5	Very high	80 Å²	80	52.9 Å²	52.9	56%	0.559	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.1	176.2	57.9	0	0	0	0	111.4	V34	V34-S40 WeakPolarHBondContact O-CA 3.03Å
41	V	94.6	Very high	94	Very high	19 Å²	19	50.8 Å²	50.8	12%	0.115	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.8	176.4	63.5	0	0	0	0	110.4	V34 V36 V43 K55 V56	V34-V41 HydrophobicContact CG2-CG1 3.36Å; V34-V41 PolarHBondContact N-O 2.94Å; V34-V41 PolarHBondContact O-N 2.83Å; V36-V41 HydrophobicContact CG2-CG1 3.98Å; V41-V43 HydrophobicContact CG1-CG1 4.21Å; V41-V43 HydrophobicContact CG2-CG1 3.97Å; V41-K55 HydrophobicContact CG2-CB 4Å; V41-K55 HydrophobicContact CG2-CD 4.4Å; V41-V56 HydrophobicContact CB-CG2 3.83Å; V41-V56 HydrophobicContact CG1-CG2 3.98Å; V41-V56 HydrophobicContact CG2-CG2 4.1Å
42	M	94.4	Very high	94.2	Very high	96 Å²	96	46.5 Å²	46.5	47%	0.473	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.8	176.9	-61.5	-59.6	-74.5	0	0	109.3	L31 E33	L31-M42 HydrophobicContact CB-CB 4.28Å; L31-M42 HydrophobicContact CB-CE 3.79Å; L31-M42 HydrophobicContact CD1-CB 4.24Å; E33-M42 HydrophobicContact CB-CE 4.43Å; E33-M42 HydrophobicContact CB-SD 3.6Å; E33-M42 HydrophobicContact CG-SD 3.92Å
43	V	94.2	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156	-177.2	-57.7	0	0	0	0	111.7	L31 I32 V34 V41 T47 A52 K55 V96	L31-V43 CarbonylContact C-O 3.55Å; L31-V43 WeakPolarHBondContact CA-O 3.42Å; I32-V43 HydrophobicContact CD1-CG2 4.23Å; I32-V43 HydrophobicContact CG1-CG2 3.75Å; I32-V43 WeakPolarHBondContact CG1-O 3.3Å; I32-V43 PolarHBondContact N-O 2.88Å; I32-V43 PolarHBondContact O-N 3.01Å; V34-V43 HydrophobicContact CG1-CG2 4.25Å; V34-V43 HydrophobicContact CG2-CG1 4.44Å; V34-V43 HydrophobicContact CG2-CG2 4.1Å; V41-V43 HydrophobicContact CG1-CG1 4.21Å; V41-V43 HydrophobicContact CG2-CG1 3.97Å; V43-T47 HydrophobicContact CB-CG2 4.16Å; V43-T47 HydrophobicContact CG1-CG2 4.49Å; V43-A52 HydrophobicContact CG1-CB 4.03Å; V43-K55 HydrophobicContact CG1-CD 3.77Å; V43-V96 HydrophobicContact CG2-CG2 3.44Å; V43-V96 VanDerWaalsContact CG2-CG2 3.44Å
44	E	93.8	Very high	94.3	Very high	117 Å²	117	44.4 Å²	44.4	55%	0.547	26%	0.26	S	S	.	.			trans	-72.9	147.5	177.1	-67.3	179	179.2	0	0	110.1	L31 G46 T47	L31-E44 HydrophobicContact CD2-CG 3.82Å; E44-G46 PolarHBondContact O-N 2.83Å; E44-T47 PolarHBondContact N-OG1 3.1Å; E44-T47 WeakPolarHBondContact O-CB 3.29Å; E44-T47 PolarHBondContact O-N 2.77Å; E44-T47 PolarHBondContact O-OG1 3.33Å
45	P	92.2	Very high	94.2	Very high	79 Å²	79	49.8 Å²	49.8	51%	0.513	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	135.7	173.2	-20.7	33.5	0	0	0	110.2	N30 I32 T47	N30-P45 HydrophobicContact CB-CG 4.09Å; N30-P45 WeakPolarHBondContact O-CD 3.28Å; N30-P45 WeakPolarHBondContact O-CG 3.46Å; I32-P45 HydrophobicContact CG2-CG 4.46Å; P45-T47 VanDerWaalsContact C-N 3.3Å
46	G	91.2	Very high	94.1	Very high	57 Å²	57	48.3 Å²	48.3	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-5.9	-175.3	0	0	0	0	0	114.5	E44 T48	E44-G46 PolarHBondContact O-N 2.83Å; G46-T48 PolarHBondContact O-N 2.72Å
47	T	94.4	Very high	93.9	Very high	15 Å²	15	51.6 Å²	51.6	9%	0.092	31%	0.314	C	S	.	.			trans	-59.7	134.9	167.1	-55	0	0	0	0	109.5	V43 E44 P45 Q51 V96	V43-T47 HydrophobicContact CB-CG2 4.16Å; V43-T47 HydrophobicContact CG1-CG2 4.49Å; E44-T47 PolarHBondContact N-OG1 3.1Å; E44-T47 WeakPolarHBondContact O-CB 3.29Å; E44-T47 PolarHBondContact O-N 2.77Å; E44-T47 PolarHBondContact O-OG1 3.33Å; P45-T47 VanDerWaalsContact C-N 3.3Å; T47-Q51 HydrophobicContact CG2-CB 3.59Å; T47-V96 WeakPolarHBondContact O-CG2 3.5Å; T47-V96 PolarHBondContact O-N 2.87Å
48	T	96.1	Very high	93.9	Very high	18 Å²	18	50.3 Å²	50.3	11%	0.11	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-75.5	157.8	176.9	60.4	0	0	0	0	111.7	G46 L50 Q51 A52 M94	G46-T48 PolarHBondContact O-N 2.72Å; T48-L50 PolarHBondContact O-N 3.39Å; T48-Q51 VanDerWaalsContact N-OE1 3.09Å; T48-Q51 PolarHBondContact O-N 3.39Å; T48-Q51 VanDerWaalsContact OG1-CD 3.26Å; T48-Q51 VanDerWaalsContact OG1-CG 3.29Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.22Å; T48-Q51 PolarHBondContact OG1-N 3.26Å; T48-Q51 PolarHBondContact OG1-OE1 2.95Å; T48-A52 PolarHBondContact O-N 3.32Å; T48-M94 CarbonylContact C-O 3.57Å; T48-M94 WeakPolarHBondContact CA-O 3.33Å
49	V	95.8	Very high	94	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.4	-39.1	174.6	172.2	0	0	0	0	111.1	A52 C53 V80 I82 A91 M94 V96 W100 I102	V49-A52 PolarHBondContact O-N 3.2Å; V49-C53 PolarHBondContact O-N 3.35Å; V49-C53 PolarHBondContact O-SG 3.28Å; V49-V80 HydrophobicContact CG1-CG2 3.84Å; V49-I82 HydrophobicContact CG2-CD1 4.28Å; V49-A91 HydrophobicContact CB-CB 4.09Å; V49-A91 HydrophobicContact CG1-CB 3.88Å; V49-A91 PolarHBondContact N-O 3.23Å; V49-M94 HydrophobicContact CG2-CB 4.1Å; V49-M94 HydrophobicContact CG2-CG 4.32Å; V49-M94 WeakPolarHBondContact CG2-O 3.42Å; V49-M94 PolarHBondContact N-O 2.95Å; V49-V96 HydrophobicContact CB-CG1 4.21Å; V49-V96 HydrophobicContact CG2-CG1 3.69Å; V49-W100 HydrophobicContact CG2-CE3 4.5Å; V49-W100 HydrophobicContact CG2-CZ3 4.22Å; V49-I102 HydrophobicContact CG1-CD1 3.84Å; V49-I102 HydrophobicContact CG1-CG1 3.99Å; V49-I102 HydrophobicContact CG1-CG2 3.78Å; V49-I102 HydrophobicContact CG2-CD1 4.49Å
50	L	96.1	Very high	94.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-47.8	177.9	-173.1	152.3	0	0	0	111.8	T48 A52 C53 E54 R62 Y65 C78 A91 C92	T48-L50 PolarHBondContact O-N 3.39Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 PolarHBondContact O-N 3.43Å; L50-C53 PolarHBondContact O-N 3.02Å; L50-E54 HydrophobicContact CD2-CG 4.25Å; L50-E54 VanDerWaalsContact CD2-OE1 3.28Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.4Å; L50-E54 WeakPolarHBondContact O-CG 3.2Å; L50-E54 PolarHBondContact O-N 3.45Å; L50-R62 HydrophobicContact CD1-CB 4.41Å; L50-Y65 HydrophobicContact CD1-CD1 3.87Å; L50-Y65 HydrophobicContact CD1-CE1 4.23Å; L50-Y65 HydrophobicContact CD1-CG 4.15Å; L50-Y65 HydrophobicContact CD2-CD1 3.95Å; L50-Y65 HydrophobicContact CD2-CE1 3.52Å; L50-C78 HydrophobicContact CD1-CB 4.42Å; L50-A91 HydrophobicContact CB-CB 3.96Å; L50-A91 WeakPolarHBondContact CB-O 3.34Å; L50-A91 PolarHBondContact N-O 3.43Å; L50-C92 HydrophobicContact CD1-CB 4.05Å
51	Q	94.9	Very high	94.2	Very high	71 Å²	71	48.3 Å²	48.3	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-67.6	-33.9	178.2	-71	164.7	-31.1	0	0	112.4	T47 T48 C53 E54 K55 Y65	T47-Q51 HydrophobicContact CG2-CB 3.59Å; T48-Q51 VanDerWaalsContact N-OE1 3.09Å; T48-Q51 PolarHBondContact O-N 3.39Å; T48-Q51 VanDerWaalsContact OG1-CD 3.26Å; T48-Q51 VanDerWaalsContact OG1-CG 3.29Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.22Å; T48-Q51 PolarHBondContact OG1-N 3.26Å; T48-Q51 PolarHBondContact OG1-OE1 2.95Å; Q51-C53 VanDerWaalsContact C-N 3.32Å; Q51-E54 PolarHBondContact O-N 2.67Å; Q51-K55 WeakPolarHBondContact O-CG 3.15Å; Q51-K55 PolarHBondContact O-N 3.03Å; Q51-K55 VanDerWaalsContact O-N 3.14Å; Q51-Y65 PolarHBondContact NE2-OH 3.48Å
52	A	95.3	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-39.1	174.4	0	0	0	0	0	111.7	V34 V43 T48 V49 L50 K55 V96	V34-A52 HydrophobicContact CG2-CB 4.24Å; V43-A52 HydrophobicContact CG1-CB 4.03Å; T48-A52 PolarHBondContact O-N 3.32Å; V49-A52 PolarHBondContact O-N 3.2Å; L50-A52 VanDerWaalsContact C-N 3.34Å; L50-A52 PolarHBondContact O-N 3.43Å; A52-K55 PolarHBondContact O-N 3.39Å; A52-V96 HydrophobicContact CB-CG1 3.91Å
53	C	95.5	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.6	-39.4	175.7	-61.7	0	0	0	0	112.2	V36 V49 L50 Q51 K55 V56 G57 M58 I60	V36-C53 HydrophobicContact CG1-CB 4.36Å; V49-C53 PolarHBondContact O-N 3.35Å; V49-C53 PolarHBondContact O-SG 3.28Å; L50-C53 PolarHBondContact O-N 3.02Å; Q51-C53 VanDerWaalsContact C-N 3.32Å; C53-K55 VanDerWaalsContact C-N 3.26Å; C53-K55 PolarHBondContact O-N 3.39Å; C53-V56 PolarHBondContact O-N 3.16Å; C53-G57 PolarHBondContact O-N 2.6Å; C53-M58 CarbonylContact C-O 3.21Å; C53-M58 HydrophobicContact CB-CE 3.79Å; C53-M58 HydrophobicContact CB-SD 3.92Å; C53-M58 PolarHBondContact O-N 2.89Å; C53-M58 VanDerWaalsContact O-N 3.09Å; C53-I60 HydrophobicContact CB-CD1 3.84Å; C53-I60 HydrophobicContact CB-CG1 4.23Å; C53-I60 VanDerWaalsContact SG-CD1 3.59Å
54	E	94.6	Very high	94.4	Very high	65 Å²	65	55 Å²	55	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-33.7	176.4	-76.1	179.5	171.1	0	0	112.4	L50 Q51 V56 G57 M58 R62	L50-E54 HydrophobicContact CD2-CG 4.25Å; L50-E54 VanDerWaalsContact CD2-OE1 3.28Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.4Å; L50-E54 WeakPolarHBondContact O-CG 3.2Å; L50-E54 PolarHBondContact O-N 3.45Å; Q51-E54 PolarHBondContact O-N 2.67Å; E54-V56 PolarHBondContact O-N 3.05Å; E54-G57 WeakPolarHBondContact O-CA 3.48Å; E54-G57 PolarHBondContact O-N 2.87Å; E54-M58 PolarHBondContact N-O 2.79Å; E54-R62 IonicContact OE1-CZ 3.91Å; E54-R62 IonicContact OE1-NH1 2.72Å; E54-R62 PolarHBondContact OE1-NH1 2.93Å
55	K	93	Very high	94.5	Very high	114 Å²	114	50.3 Å²	50.3	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-25.2	174.2	-77.5	-179.7	168.2	-171.5	0	113.9	V41 V43 Q51 A52 C53 G57	V41-K55 HydrophobicContact CG2-CB 4Å; V41-K55 HydrophobicContact CG2-CD 4.4Å; V43-K55 HydrophobicContact CG1-CD 3.77Å; Q51-K55 WeakPolarHBondContact O-CG 3.15Å; Q51-K55 PolarHBondContact O-N 3.03Å; Q51-K55 VanDerWaalsContact O-N 3.14Å; A52-K55 PolarHBondContact O-N 3.39Å; C53-K55 VanDerWaalsContact C-N 3.26Å; C53-K55 PolarHBondContact O-N 3.39Å; K55-G57 VanDerWaalsContact C-N 3.29Å
56	V	93.6	Very high	94.6	Very high	37 Å²	37	50.4 Å²	50.4	22%	0.224	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2.2	176	-172.3	0	0	0	0	110.9	V36 Q39 V41 C53 E54 M58	V36-V56 HydrophobicContact CB-CG2 4.2Å; V36-V56 HydrophobicContact CG2-CG2 4.23Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 HydrophobicContact CG-CG1 4.44Å; V41-V56 HydrophobicContact CB-CG2 3.83Å; V41-V56 HydrophobicContact CG1-CG2 3.98Å; V41-V56 HydrophobicContact CG2-CG2 4.1Å; C53-V56 PolarHBondContact O-N 3.16Å; E54-V56 PolarHBondContact O-N 3.05Å; V56-M58 VanDerWaalsContact C-N 3.31Å
57	G	92	Very high	94.6	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	12.7	-177.9	0	0	0	0	0	113.8	C53 E54 K55	C53-G57 PolarHBondContact O-N 2.6Å; E54-G57 WeakPolarHBondContact O-CA 3.48Å; E54-G57 PolarHBondContact O-N 2.87Å; K55-G57 VanDerWaalsContact C-N 3.29Å
58	M	92.9	Very high	94.6	Very high	40 Å²	40	62.1 Å²	62.1	20%	0.197	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-102.7	116.5	179.3	-176.7	-105.7	-67.7	0	0	110.6	V36 D37 C53 E54 V56 I60 T104	V36-M58 HydrophobicContact CG1-CE 3.16Å; D37-M58 WeakPolarHBondContact OD2-CE 3.46Å; C53-M58 CarbonylContact C-O 3.21Å; C53-M58 HydrophobicContact CB-CE 3.79Å; C53-M58 HydrophobicContact CB-SD 3.92Å; C53-M58 PolarHBondContact O-N 2.89Å; C53-M58 VanDerWaalsContact O-N 3.09Å; E54-M58 PolarHBondContact N-O 2.79Å; V56-M58 VanDerWaalsContact C-N 3.31Å; M58-I60 HydrophobicContact SD-CG1 3.8Å; M58-T104 HydrophobicContact CE-CG2 3.04Å; M58-T104 WeakPolarHBondContact CE-OG1 3.4Å; M58-T104 HydrophobicContact SD-CG2 3.57Å; M58-T104 VanDerWaalsContact SD-CG2 3.57Å; M58-T104 PolarHBondContact SD-OG1 3.25Å; M58-T104 VanDerWaalsContact SD-OG1 3.39Å
59	Q	92.8	Very high	94.5	Very high	161 Å²	161	67.1 Å²	67.1	75%	0.752	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-89.4	120.7	175.8	-84	-159.2	-16	0	0	111.6
60	I	95.6	Very high	94.4	Very high	6 Å²	6	72.2 Å²	72.2	3%	0.031	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-81.3	134.5	169.3	-65.6	170.6	0	0	0	108.7	C53 M58 R62 C78 V80 A91 T104	C53-I60 HydrophobicContact CB-CD1 3.84Å; C53-I60 HydrophobicContact CB-CG1 4.23Å; C53-I60 VanDerWaalsContact SG-CD1 3.59Å; M58-I60 HydrophobicContact SD-CG1 3.8Å; I60-R62 PolarHBondContact O-N 3.47Å; I60-C78 HydrophobicContact CG2-CB 3.77Å; I60-V80 HydrophobicContact CD1-CG1 3.69Å; I60-V80 HydrophobicContact CG1-CG1 4.3Å; I60-V80 HydrophobicContact CG2-CG1 4.36Å; I60-A91 HydrophobicContact CD1-CB 3.71Å; I60-A91 HydrophobicContact CG2-CB 4.46Å; I60-T104 HydrophobicContact CD1-CG2 4.25Å; I60-T104 HydrophobicContact CG1-CG2 4.38Å
61	P	95.3	Very high	94.4	Very high	48 Å²	48	75.6 Å²	75.6	31%	0.312	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-60.7	131.4	177.9	26.2	-35.4	0	0	0	110.9	M77 C78	P61-M77 HydrophobicContact CB-CE 3.84Å; P61-M77 HydrophobicContact CB-CG 3.9Å; P61-M77 HydrophobicContact CG-CE 4.08Å; P61-M77 HydrophobicContact CG-CG 4.28Å; P61-M77 CarbonylContact O-C 3.41Å; P61-C78 WeakPolarHBondContact O-CA 3.43Å; P61-C78 PolarHBondContact O-N 3.4Å
62	R	94.8	Very high	94.3	Very high	75 Å²	75	74.8 Å²	74.8	28%	0.283	39%	0.393	S	S	.	.			trans	-143.8	138.5	-173.2	69.9	-168.2	-143.2	-173.1	1.7	110.7	L50 E54 I60 Y65	L50-R62 HydrophobicContact CD1-CB 4.41Å; E54-R62 IonicContact OE1-CZ 3.91Å; E54-R62 IonicContact OE1-NH1 2.72Å; E54-R62 PolarHBondContact OE1-NH1 2.93Å; I60-R62 PolarHBondContact O-N 3.47Å; R62-Y65 PolarHBondContact NE-O 2.83Å
63	F	96	Very high	94.2	Very high	139 Å²	139	75.6 Å²	75.6	61%	0.61	40%	0.401	S	S	*	.	S	Bend	trans	-113.1	-53.3	173.6	-68	-61.6	0	0	0	112.4	C75 M77 M117	F63-C75 HydrophobicContact CB-CB 3.82Å; F63-C75 HydrophobicContact CD2-CB 4.36Å; F63-M77 HydrophobicContact CD2-CB 3.59Å; F63-M77 HydrophobicContact CD2-CG 3.76Å; F63-M77 HydrophobicContact CE2-CB 3.95Å; F63-M77 HydrophobicContact CE2-CE 4.46Å; F63-M77 HydrophobicContact CE2-CG 3.63Å; F63-M77 HydrophobicContact CE2-SD 3.95Å; F63-M117 HydrophobicContact CE2-CE 3.7Å; F63-M117 HydrophobicContact CZ-CE 3.72Å; F63-M117 HydrophobicContact CZ-SD 4.38Å
64	C	95.8	Very high	94.2	Very high	42 Å²	42	82 Å²	82	28%	0.284	44%	0.435	S	S	.	.	S	Bend	trans	-91.6	2.7	-174.3	77.6	0	0	0	0	114.5	C75	C64-C75 HydrophobicContact CB-CB 3.99Å; C64-C75 PolarHBondContact N-SG 3.13Å; C64-C75 VanDerWaalsContact N-SG 3.43Å; C64-C75 PolarHBondContact SG-SG 3.16Å
65	Y	96.6	Very high	94.2	Very high	19 Å²	19	80.5 Å²	80.5	8%	0.075	43%	0.431	C	S	.	.			trans	-101.3	131.4	-178.5	177.7	-93.1	0	0	0	110.9	L50 Q51 R62 V71 C92	L50-Y65 HydrophobicContact CD1-CD1 3.87Å; L50-Y65 HydrophobicContact CD1-CE1 4.23Å; L50-Y65 HydrophobicContact CD1-CG 4.15Å; L50-Y65 HydrophobicContact CD2-CD1 3.95Å; L50-Y65 HydrophobicContact CD2-CE1 3.52Å; Q51-Y65 PolarHBondContact NE2-OH 3.48Å; R62-Y65 PolarHBondContact NE-O 2.83Å; Y65-V71 HydrophobicContact CD2-CG2 4.36Å; Y65-V71 HydrophobicContact CE2-CG2 4.1Å; Y65-C92 HydrophobicContact CD2-CB 3.66Å; Y65-C92 HydrophobicContact CE2-CB 4.38Å; Y65-C92 HydrophobicContact CG-CB 3.99Å
66	H	94.9	Very high	94.4	Very high	81 Å²	81	79.7 Å²	79.7	38%	0.375	43%	0.425	S	S	.	.			trans	-140.2	138.3	174.3	-171.8	-83.6	0	0	0	109.1	R68 L69	H66-R68 PolarHBondContact ND1-N 3.18Å; H66-R68 VanDerWaalsContact ND1-N 3.16Å; H66-R68 PolarHBondContact O-N 3.17Å; H66-L69 HydrophobicContact CB-CB 4.17Å; H66-L69 HydrophobicContact CB-CD1 4Å; H66-L69 HydrophobicContact CB-CG 4.14Å; H66-L69 PolarHBondContact O-N 3.32Å
67	E	91.3	Very high	94.5	Very high	119 Å²	119	78.9 Å²	78.9	56%	0.556	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.3	-173.6	70.9	-173.7	-171	0	0	113.9
68	R	93.4	Very high	94.8	Very high	199 Å²	199	75.6 Å²	75.6	75%	0.751	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.1	-177.5	-48.8	-172.3	-170.6	147.4	8	114.3	H66	H66-R68 PolarHBondContact ND1-N 3.18Å; H66-R68 VanDerWaalsContact ND1-N 3.16Å; H66-R68 PolarHBondContact O-N 3.17Å
69	L	94.8	Very high	94.9	Very high	123 Å²	123	74.5 Å²	74.5	64%	0.644	38%	0.38	S	S	*	.	S	Bend	trans	-113.8	163	-179.3	-61.8	177.7	0	0	0	109.7	H66	H66-L69 HydrophobicContact CB-CB 4.17Å; H66-L69 HydrophobicContact CB-CD1 4Å; H66-L69 HydrophobicContact CB-CG 4.14Å; H66-L69 PolarHBondContact O-N 3.32Å
70	S	93.9	Very high	95.1	Very high	107 Å²	107	66.9 Å²	66.9	75%	0.748	34%	0.344	S	S	*	.			trans	-64.6	150.4	173.2	52	0	0	0	0	111.2	A72	S70-A72 PolarHBondContact O-N 3.35Å
71	V	95	Very high	95.2	Very high	71 Å²	71	67.9 Å²	67.9	43%	0.43	35%	0.349	S	S	.	.			trans	-72.5	112.6	177.8	-177.3	0	0	0	0	109.6	Y65 C92 A93	Y65-V71 HydrophobicContact CD2-CG2 4.36Å; Y65-V71 HydrophobicContact CE2-CG2 4.1Å; V71-C92 HydrophobicContact CG1-CB 4.42Å; V71-C92 WeakPolarHBondContact CG1-O 3.31Å; V71-A93 HydrophobicContact CG1-CB 3.76Å
72	A	94.1	Very high	95.2	Very high	55 Å²	55	65.7 Å²	65.7	46%	0.455	33%	0.334	S	S	.	.			trans	-84.7	-52.2	-179.8	0	0	0	0	0	113.4	S70	S70-A72 PolarHBondContact O-N 3.35Å
73	G	92.9	Very high	95	Very high	16 Å²	16	66.3 Å²	66.3	17%	0.165	34%	0.34	C	S	.	.			trans	82.2	8.4	179.4	0	0	0	0	0	116.3	R76	G73-R76 VanDerWaalsContact O-CD 3.3Å; G73-R76 WeakPolarHBondContact O-CD 3.24Å; G73-R76 PolarHBondContact O-NH1 3Å
74	N	94.1	Very high	94.6	Very high	136 Å²	136	68.9 Å²	68.9	73%	0.727	35%	0.351	S	S	*	.			trans	-75.7	-36.2	-173.5	-62.5	-13.4	0	0	0	114.3
75	C	95.5	Very high	94.3	Very high	32 Å²	32	68.1 Å²	68.1	22%	0.216	35%	0.349	C	S	.	.	S	Bend	trans	-80.3	-18.1	-169.4	71.9	0	0	0	0	115.5	F63 C64 M77 V116	F63-C75 HydrophobicContact CB-CB 3.82Å; F63-C75 HydrophobicContact CD2-CB 4.36Å; C64-C75 HydrophobicContact CB-CB 3.99Å; C64-C75 PolarHBondContact N-SG 3.13Å; C64-C75 VanDerWaalsContact N-SG 3.43Å; C64-C75 PolarHBondContact SG-SG 3.16Å; C75-M77 PolarHBondContact O-N 3.45Å; C75-V116 WeakPolarHBondContact O-CG1 3.12Å
76	R	96.2	Very high	94.1	Very high	97 Å²	97	73.6 Å²	73.6	37%	0.366	39%	0.386	S	S	.	.			trans	51.5	10.2	-177	-46.2	-50.3	-57.6	151.4	1.6	116.6	G73 C78 L79 A90 V116	G73-R76 VanDerWaalsContact O-CD 3.3Å; G73-R76 WeakPolarHBondContact O-CD 3.24Å; G73-R76 PolarHBondContact O-NH1 3Å; R76-C78 VanDerWaalsContact C-N 3.3Å; R76-C78 PolarHBondContact O-N 2.92Å; R76-L79 HydrophobicContact CB-CD1 4.19Å; R76-L79 VanDerWaalsContact NH2-CD2 3.34Å; R76-L79 WeakPolarHBondContact O-CD1 3.49Å; R76-L79 WeakPolarHBondContact O-CG 3.33Å; R76-L79 PolarHBondContact O-N 2.93Å; R76-A90 VanDerWaalsContact NH2-CB 3.29Å; R76-V116 HydrophobicContact CB-CG2 3.96Å
77	M	97	Very high	94	Very high	20 Å²	20	77.7 Å²	77.7	10%	0.099	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.3	-179	-170.4	60.7	179.1	0	0	113.4	P61 F63 C75 L79 R113 V116 M117	P61-M77 HydrophobicContact CB-CE 3.84Å; P61-M77 HydrophobicContact CB-CG 3.9Å; P61-M77 HydrophobicContact CG-CE 4.08Å; P61-M77 HydrophobicContact CG-CG 4.28Å; P61-M77 CarbonylContact O-C 3.41Å; F63-M77 HydrophobicContact CD2-CB 3.59Å; F63-M77 HydrophobicContact CD2-CG 3.76Å; F63-M77 HydrophobicContact CE2-CB 3.95Å; F63-M77 HydrophobicContact CE2-CE 4.46Å; F63-M77 HydrophobicContact CE2-CG 3.63Å; F63-M77 HydrophobicContact CE2-SD 3.95Å; C75-M77 PolarHBondContact O-N 3.45Å; M77-L79 PolarHBondContact O-N 3.41Å; M77-L79 VanDerWaalsContact O-N 3.09Å; M77-R113 HydrophobicContact CE-CB 4.32Å; M77-R113 HydrophobicContact SD-CB 4.36Å; M77-V116 HydrophobicContact CB-CG1 4.35Å; M77-V116 HydrophobicContact SD-CG1 4.12Å; M77-M117 HydrophobicContact CE-CE 3.28Å; M77-M117 HydrophobicContact SD-CE 3.69Å
78	C	96.9	Very high	94.2	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.014	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	25.4	-179.4	68	0	0	0	0	113.7	L50 I60 P61 R76 V80 A91 C92	L50-C78 HydrophobicContact CD1-CB 4.42Å; I60-C78 HydrophobicContact CG2-CB 3.77Å; P61-C78 WeakPolarHBondContact O-CA 3.43Å; P61-C78 PolarHBondContact O-N 3.4Å; R76-C78 VanDerWaalsContact C-N 3.3Å; R76-C78 PolarHBondContact O-N 2.92Å; C78-V80 PolarHBondContact O-N 3.03Å; C78-A91 HydrophobicContact CB-CB 4.13Å; C78-A91 VanDerWaalsContact O-CB 3.22Å; C78-A91 WeakPolarHBondContact O-CB 3.37Å; C78-A91 PolarHBondContact O-N 3.28Å; C78-C92 PolarHBondContact SG-N 3.26Å; C78-C92 VanDerWaalsContact SG-N 3.45Å; C78-C92 PolarHBondContact SG-SG 3.07Å
79	L	96.8	Very high	94.3	Very high	17 Å²	17	66 Å²	66	9%	0.089	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.5	177.5	-77.3	170.8	0	0	0	110.2	R76 M77 V88 V89 A112 R113 V116	R76-L79 HydrophobicContact CB-CD1 4.19Å; R76-L79 VanDerWaalsContact NH2-CD2 3.34Å; R76-L79 WeakPolarHBondContact O-CD1 3.49Å; R76-L79 WeakPolarHBondContact O-CG 3.33Å; R76-L79 PolarHBondContact O-N 2.93Å; M77-L79 PolarHBondContact O-N 3.41Å; M77-L79 VanDerWaalsContact O-N 3.09Å; L79-V88 HydrophobicContact CB-CB 4.32Å; L79-V88 HydrophobicContact CB-CG2 4.27Å; L79-V88 HydrophobicContact CD1-CG2 4.06Å; L79-V88 HydrophobicContact CD2-CB 4.13Å; L79-V88 HydrophobicContact CD2-CG2 3.8Å; L79-V88 HydrophobicContact CG-CG2 4.24Å; L79-V89 WeakPolarHBondContact CA-O 3.41Å; L79-V89 WeakPolarHBondContact CD2-O 3.48Å; L79-A112 HydrophobicContact CB-CB 4.08Å; L79-A112 HydrophobicContact CD1-CB 4.04Å; L79-R113 PolarHBondContact O-NE 2.95Å; L79-R113 PolarHBondContact O-NH2 2.95Å; L79-V116 HydrophobicContact CD1-CG2 4.31Å
80	V	96.7	Very high	94.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.3	177.6	-69.1	0	0	0	0	110.2	V49 I60 C78 V88 V89 A91 I102 T104	V49-V80 HydrophobicContact CG1-CG2 3.84Å; I60-V80 HydrophobicContact CD1-CG1 3.69Å; I60-V80 HydrophobicContact CG1-CG1 4.3Å; I60-V80 HydrophobicContact CG2-CG1 4.36Å; C78-V80 PolarHBondContact O-N 3.03Å; V80-V88 WeakPolarHBondContact O-CA 3.22Å; V80-V89 HydrophobicContact CG2-CG2 3.99Å; V80-V89 PolarHBondContact N-O 3.44Å; V80-V89 PolarHBondContact O-N 2.85Å; V80-A91 HydrophobicContact CG1-CB 4.37Å; V80-A91 HydrophobicContact CG2-CB 3.9Å; V80-I102 HydrophobicContact CB-CG2 4.43Å; V80-I102 HydrophobicContact CG2-CG2 4.33Å; V80-T104 HydrophobicContact CG1-CG2 4.07Å
81	E	96.4	Very high	94.5	Very high	27 Å²	27	55.6 Å²	55.6	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.9	171.8	-177.6	169.3	-165	0	0	109.8	V88 L103 S106 K108 S109	E81-V88 HydrophobicContact CB-CG1 4.46Å; E81-L103 HydrophobicContact CB-CB 4.31Å; E81-L103 HydrophobicContact CG-CD1 4.44Å; E81-L103 PolarHBondContact N-O 2.94Å; E81-L103 PolarHBondContact O-N 3.48Å; E81-S106 WeakPolarHBondContact CB-OG 3.48Å; E81-S106 WeakPolarHBondContact OE2-CB 3.48Å; E81-S106 PolarHBondContact OE2-OG 3.38Å; E81-K108 WeakPolarHBondContact OE1-CD 3.38Å; E81-K108 WeakPolarHBondContact OE1-CE 3.45Å; E81-K108 IonicContact OE1-NZ 2.74Å; E81-K108 PolarHBondContact OE1-NZ 3.34Å; E81-K108 WeakPolarHBondContact OE2-CB 3.19Å; E81-S109 WeakPolarHBondContact CB-OG 3.4Å; E81-S109 PolarHBondContact N-OG 2.9Å
82	I	95.6	Very high	94.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.5	170.2	-61.6	-175.5	0	0	0	106.8	V49 K84 A85 V89 W100 N101	V49-I82 HydrophobicContact CG2-CD1 4.28Å; I82-K84 PolarHBondContact O-N 3.34Å; I82-A85 HydrophobicContact CB-CB 3.98Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 2.57Å; I82-V89 HydrophobicContact CD1-CG2 3.37Å; I82-V89 HydrophobicContact CG1-CG2 3.76Å; I82-W100 HydrophobicContact CD1-CD2 4.16Å; I82-W100 HydrophobicContact CD1-CE3 3.5Å; I82-W100 HydrophobicContact CD1-CH2 3.65Å; I82-W100 HydrophobicContact CD1-CZ2 4.3Å; I82-W100 HydrophobicContact CD1-CZ3 3.25Å; I82-W100 HydrophobicContact CG2-CB 4.38Å; I82-W100 HydrophobicContact CG2-CD2 3.95Å; I82-W100 HydrophobicContact CG2-CE3 4.31Å; I82-W100 HydrophobicContact CG2-CG 4.07Å; I82-W100 HydrophobicContact CG2-CZ2 4.49Å; I82-N101 WeakPolarHBondContact CA-O 2.71Å
83	E	90.6	Very high	94.6	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.9	176.3	-159.4	-166.1	132.8	0	0	110.1	A85 N101	E83-A85 PolarHBondContact O-N 2.88Å; E83-N101 HydrophobicContact CB-CB 3.85Å; E83-N101 PolarHBondContact N-O 3.22Å; E83-N101 VanDerWaalsContact OE2-CB 3.24Å; E83-N101 WeakPolarHBondContact OE2-CB 3.25Å; E83-N101 PolarHBondContact OE2-ND2 3.09Å
84	K	87.5	Confident	94.7	Very high	193 Å²	193	54.4 Å²	54.4	84%	0.839	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	4	-176.8	-50.2	167.4	-174.4	169.4	0	115.3	I82	I82-K84 PolarHBondContact O-N 3.34Å
85	A	90.3	Very high	94.7	Very high	27 Å²	27	50.8 Å²	50.8	22%	0.223	27%	0.27	C	S	.	.			trans	-87.4	129.8	169.5	0	0	0	0	0	110.7	I82 E83 K87	I82-A85 HydrophobicContact CB-CB 3.98Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 2.57Å; E83-A85 PolarHBondContact O-N 2.88Å; A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3Å
86	P	91.2	Very high	94.7	Very high	133 Å²	133	49.6 Å²	49.6	86%	0.864	26%	0.262	S	S	*	.	S	Bend	trans	-73	-19.4	179.7	28.7	-35.1	0	0	0	113.1
87	K	94	Very high	94.5	Very high	168 Å²	168	49.7 Å²	49.7	73%	0.73	27%	0.267	S	S	*	.	S	Bend	trans	-128.5	147.8	-177.7	-65.3	-176.8	179.8	-179.5	0	109.9	A85	A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3Å
88	V	94.8	Very high	94.3	Very high	43 Å²	43	56.7 Å²	56.7	26%	0.261	30%	0.297	S	S	.	.			trans	-64.4	138.9	168.8	-70.2	0	0	0	0	110	L79 V80 E81 K108 A112	L79-V88 HydrophobicContact CB-CB 4.32Å; L79-V88 HydrophobicContact CB-CG2 4.27Å; L79-V88 HydrophobicContact CD1-CG2 4.06Å; L79-V88 HydrophobicContact CD2-CB 4.13Å; L79-V88 HydrophobicContact CD2-CG2 3.8Å; L79-V88 HydrophobicContact CG-CG2 4.24Å; V80-V88 WeakPolarHBondContact O-CA 3.22Å; E81-V88 HydrophobicContact CB-CG1 4.46Å; V88-K108 HydrophobicContact CG1-CB 4.35Å; V88-A112 HydrophobicContact CG1-CB 4.36Å; V88-A112 HydrophobicContact CG2-CB 4.03Å
89	V	95.5	Very high	94.1	Very high	30 Å²	30	58.9 Å²	58.9	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	155	-176.6	-58.5	0	0	0	0	110.8	L79 V80 I82 A91 M94	L79-V89 WeakPolarHBondContact CA-O 3.41Å; L79-V89 WeakPolarHBondContact CD2-O 3.48Å; V80-V89 HydrophobicContact CG2-CG2 3.99Å; V80-V89 PolarHBondContact N-O 3.44Å; V80-V89 PolarHBondContact O-N 2.85Å; I82-V89 HydrophobicContact CD1-CG2 3.37Å; I82-V89 HydrophobicContact CG1-CG2 3.76Å; V89-A91 PolarHBondContact O-N 3.25Å; V89-M94 HydrophobicContact CB-CG 4.47Å; V89-M94 HydrophobicContact CG2-CB 4.42Å; V89-M94 HydrophobicContact CG2-CG 4.39Å
90	A	96.6	Very high	94	Very high	11 Å²	11	60.2 Å²	60.2	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115	173.6	0	0	0	0	0	109.9	R76 C92 A93 M94	R76-A90 VanDerWaalsContact NH2-CB 3.29Å; A90-C92 PolarHBondContact O-N 3.46Å; A90-A93 PolarHBondContact O-N 3.45Å; A90-M94 VanDerWaalsContact O-CB 3.25Å; A90-M94 WeakPolarHBondContact O-CB 3.07Å; A90-M94 PolarHBondContact O-N 3.35Å; A90-M94 VanDerWaalsContact O-N 3.07Å
91	A	96.4	Very high	93.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-31.2	-179.1	0	0	0	0	0	113	V49 L50 I60 C78 V80 V89 A93	V49-A91 HydrophobicContact CB-CB 4.09Å; V49-A91 HydrophobicContact CG1-CB 3.88Å; V49-A91 PolarHBondContact N-O 3.23Å; L50-A91 HydrophobicContact CB-CB 3.96Å; L50-A91 WeakPolarHBondContact CB-O 3.34Å; L50-A91 PolarHBondContact N-O 3.43Å; I60-A91 HydrophobicContact CD1-CB 3.71Å; I60-A91 HydrophobicContact CG2-CB 4.46Å; C78-A91 HydrophobicContact CB-CB 4.13Å; C78-A91 VanDerWaalsContact O-CB 3.22Å; C78-A91 WeakPolarHBondContact O-CB 3.37Å; C78-A91 PolarHBondContact O-N 3.28Å; V80-A91 HydrophobicContact CG1-CB 4.37Å; V80-A91 HydrophobicContact CG2-CB 3.9Å; V89-A91 PolarHBondContact O-N 3.25Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A91-A93 PolarHBondContact O-N 3.39Å
92	C	95.9	Very high	93.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.007	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.7	-174.9	69.9	0	0	0	0	114.8	L50 Y65 V71 C78 A90	L50-C92 HydrophobicContact CD1-CB 4.05Å; Y65-C92 HydrophobicContact CD2-CB 3.66Å; Y65-C92 HydrophobicContact CE2-CB 4.38Å; Y65-C92 HydrophobicContact CG-CB 3.99Å; V71-C92 HydrophobicContact CG1-CB 4.42Å; V71-C92 WeakPolarHBondContact CG1-O 3.31Å; C78-C92 PolarHBondContact SG-N 3.26Å; C78-C92 VanDerWaalsContact SG-N 3.45Å; C78-C92 PolarHBondContact SG-SG 3.07Å; A90-C92 PolarHBondContact O-N 3.46Å
93	A	95	Very high	93.9	Very high	55 Å²	55	62.7 Å²	62.7	46%	0.455	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-23.1	-174.6	0	0	0	0	0	112.6	V71 A90 A91 P95	V71-A93 HydrophobicContact CG1-CB 3.76Å; A90-A93 PolarHBondContact O-N 3.45Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A91-A93 PolarHBondContact O-N 3.39Å; A93-P95 VanDerWaalsContact O-CD 3.29Å; A93-P95 WeakPolarHBondContact O-CD 3.5Å
94	M	95.4	Very high	94.1	Very high	60 Å²	60	59 Å²	59	30%	0.296	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-77.5	119	-177.3	-165.9	64.5	-158.4	0	0	110.1	T48 V49 V89 A90 W100	T48-M94 CarbonylContact C-O 3.57Å; T48-M94 WeakPolarHBondContact CA-O 3.33Å; V49-M94 HydrophobicContact CG2-CB 4.1Å; V49-M94 HydrophobicContact CG2-CG 4.32Å; V49-M94 WeakPolarHBondContact CG2-O 3.42Å; V49-M94 PolarHBondContact N-O 2.95Å; V89-M94 HydrophobicContact CB-CG 4.47Å; V89-M94 HydrophobicContact CG2-CB 4.42Å; V89-M94 HydrophobicContact CG2-CG 4.39Å; A90-M94 VanDerWaalsContact O-CB 3.25Å; A90-M94 WeakPolarHBondContact O-CB 3.07Å; A90-M94 PolarHBondContact O-N 3.35Å; A90-M94 VanDerWaalsContact O-N 3.07Å; M94-W100 HydrophobicContact CE-CH2 3.46Å; M94-W100 VanDerWaalsContact CE-CH2 3.46Å; M94-W100 HydrophobicContact CE-CZ2 4.36Å; M94-W100 HydrophobicContact CE-CZ3 4.16Å; M94-W100 HydrophobicContact CG-CH2 3.93Å; M94-W100 HydrophobicContact CG-CZ3 3.83Å; M94-W100 HydrophobicContact SD-CH2 4.44Å
95	P	95.1	Very high	94.4	Very high	60 Å²	60	54.9 Å²	54.9	39%	0.39	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-69	143.9	168	30.4	-33.8	0	0	0	109.3	A93 W100	A93-P95 VanDerWaalsContact O-CD 3.29Å; A93-P95 WeakPolarHBondContact O-CD 3.5Å; P95-W100 WeakPolarHBondContact O-CZ3 3.29Å
96	V	94.9	Very high	94.6	Very high	8 Å²	8	54.6 Å²	54.6	5%	0.048	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.8	147.5	175.2	-67.4	0	0	0	0	111.7	I32 V34 V43 T47 V49 A52 I102	I32-V96 HydrophobicContact CD1-CB 4.46Å; I32-V96 HydrophobicContact CD1-CG2 3.53Å; I32-V96 WeakPolarHBondContact CD1-O 3.26Å; I32-V96 HydrophobicContact CG1-CG2 4.36Å; V34-V96 HydrophobicContact CG1-CB 3.93Å; V34-V96 HydrophobicContact CG1-CG1 4.5Å; V34-V96 HydrophobicContact CG1-CG2 4.1Å; V43-V96 HydrophobicContact CG2-CG2 3.44Å; V43-V96 VanDerWaalsContact CG2-CG2 3.44Å; T47-V96 WeakPolarHBondContact O-CG2 3.5Å; T47-V96 PolarHBondContact O-N 2.87Å; V49-V96 HydrophobicContact CB-CG1 4.21Å; V49-V96 HydrophobicContact CG2-CG1 3.69Å; A52-V96 HydrophobicContact CB-CG1 3.91Å; V96-I102 HydrophobicContact CG1-CD1 4.21Å
97	M	92.4	Very high	94.8	Very high	98 Å²	98	54.5 Å²	54.5	48%	0.483	29%	0.293	S	S	.	.			trans	-114.3	152.5	170.5	-61.2	-161	-81.8	0	0	110.5	V34 G99 W100	V34-M97 WeakPolarHBondContact CG1-O 3.5Å; M97-G99 PolarHBondContact O-N 3.4Å; M97-W100 HydrophobicContact CB-CD2 3.83Å; M97-W100 HydrophobicContact CB-CE3 4.35Å; M97-W100 HydrophobicContact CB-CG 4.12Å; M97-W100 HydrophobicContact CB-CZ2 4.34Å; M97-W100 VanDerWaalsContact CE-CE2 3.48Å; M97-W100 HydrophobicContact CE-CH2 3.85Å; M97-W100 HydrophobicContact CE-CZ2 3.05Å; M97-W100 HydrophobicContact CG-CD2 4.42Å; M97-W100 HydrophobicContact CG-CH2 4.43Å; M97-W100 HydrophobicContact CG-CZ2 4.18Å; M97-W100 VanDerWaalsContact O-CB 3.31Å; M97-W100 WeakPolarHBondContact O-CB 3.37Å; M97-W100 PolarHBondContact O-N 3.25Å; M97-W100 HydrophobicContact SD-CZ2 4.43Å
98	K	92.9	Very high	94.8	Very high	167 Å²	167	52.2 Å²	52.2	73%	0.726	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	132.4	-178.4	-175.7	-176.3	177.3	-172.8	0	111.2	I32 W100	I32-K98 HydrophobicContact CB-CB 4.32Å; I32-K98 HydrophobicContact CG2-CB 4.34Å; K98-W100 VanDerWaalsContact C-N 3.28Å; K98-W100 PolarHBondContact O-N 3.07Å
99	G	91.2	Very high	94.8	Very high	48 Å²	48	50.1 Å²	50.1	50%	0.495	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	13.3	176.4	0	0	0	0	0	114.2	E33 M97	E33-G99 PolarHBondContact O-N 3.33Å; M97-G99 PolarHBondContact O-N 3.4Å
100	W	94.8	Very high	94.8	Very high	46 Å²	46	53.1 Å²	53.1	17%	0.174	28%	0.281	C	S	.	.			trans	-71.6	141.9	171.6	-84.9	7.1	0	0	0	112.1	F35 V49 I82 M94 P95 M97 K98	F35-W100 PolarHBondContact N-O 3.14Å; V49-W100 HydrophobicContact CG2-CE3 4.5Å; V49-W100 HydrophobicContact CG2-CZ3 4.22Å; I82-W100 HydrophobicContact CD1-CD2 4.16Å; I82-W100 HydrophobicContact CD1-CE3 3.5Å; I82-W100 HydrophobicContact CD1-CH2 3.65Å; I82-W100 HydrophobicContact CD1-CZ2 4.3Å; I82-W100 HydrophobicContact CD1-CZ3 3.25Å; I82-W100 HydrophobicContact CG2-CB 4.38Å; I82-W100 HydrophobicContact CG2-CD2 3.95Å; I82-W100 HydrophobicContact CG2-CE3 4.31Å; I82-W100 HydrophobicContact CG2-CG 4.07Å; I82-W100 HydrophobicContact CG2-CZ2 4.49Å; M94-W100 HydrophobicContact CE-CH2 3.46Å; M94-W100 VanDerWaalsContact CE-CH2 3.46Å; M94-W100 HydrophobicContact CE-CZ2 4.36Å; M94-W100 HydrophobicContact CE-CZ3 4.16Å; M94-W100 HydrophobicContact CG-CH2 3.93Å; M94-W100 HydrophobicContact CG-CZ3 3.83Å; M94-W100 HydrophobicContact SD-CH2 4.44Å; P95-W100 WeakPolarHBondContact O-CZ3 3.29Å; M97-W100 HydrophobicContact CB-CD2 3.83Å; M97-W100 HydrophobicContact CB-CE3 4.35Å; M97-W100 HydrophobicContact CB-CG 4.12Å; M97-W100 HydrophobicContact CB-CZ2 4.34Å; M97-W100 VanDerWaalsContact CE-CE2 3.48Å; M97-W100 HydrophobicContact CE-CH2 3.85Å; M97-W100 HydrophobicContact CE-CZ2 3.05Å; M97-W100 HydrophobicContact CG-CD2 4.42Å; M97-W100 HydrophobicContact CG-CH2 4.43Å; M97-W100 HydrophobicContact CG-CZ2 4.18Å; M97-W100 VanDerWaalsContact O-CB 3.31Å; M97-W100 WeakPolarHBondContact O-CB 3.37Å; M97-W100 PolarHBondContact O-N 3.25Å; M97-W100 HydrophobicContact SD-CZ2 4.43Å; K98-W100 VanDerWaalsContact C-N 3.28Å; K98-W100 PolarHBondContact O-N 3.07Å
101	N	95.4	Very high	94.8	Very high	31 Å²	31	58.4 Å²	58.4	17%	0.166	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.7	172.2	-174.3	17.1	0	0	0	109.3	F35 I82 E83	F35-N101 HydrophobicContact CB-CB 4.13Å; F35-N101 CarbonylContact O-C 3.6Å; F35-N101 WeakPolarHBondContact O-CA 3.5Å; I82-N101 WeakPolarHBondContact CA-O 2.71Å; E83-N101 HydrophobicContact CB-CB 3.85Å; E83-N101 PolarHBondContact N-O 3.22Å; E83-N101 VanDerWaalsContact OE2-CB 3.24Å; E83-N101 WeakPolarHBondContact OE2-CB 3.25Å; E83-N101 PolarHBondContact OE2-ND2 3.09Å
102	I	96	Very high	94.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.4	-175.8	-60	150.5	0	0	0	107.4	F35 V36 D37 V49 V80 V96 T104	F35-I102 PolarHBondContact O-N 3.43Å; V36-I102 HydrophobicContact CG2-CD1 4Å; D37-I102 PolarHBondContact N-O 3.03Å; V49-I102 HydrophobicContact CG1-CD1 3.84Å; V49-I102 HydrophobicContact CG1-CG1 3.99Å; V49-I102 HydrophobicContact CG1-CG2 3.78Å; V49-I102 HydrophobicContact CG2-CD1 4.49Å; V80-I102 HydrophobicContact CB-CG2 4.43Å; V80-I102 HydrophobicContact CG2-CG2 4.33Å; V96-I102 HydrophobicContact CG1-CD1 4.21Å; I102-T104 HydrophobicContact CG2-CG2 3.81Å
103	L	95.3	Very high	94.8	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.257	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	103.1	-179.2	-58.3	176.1	0	0	0	108.7	D37 E81 S109	D37-L103 WeakPolarHBondContact OD1-CA 3.11Å; E81-L103 HydrophobicContact CB-CB 4.31Å; E81-L103 HydrophobicContact CG-CD1 4.44Å; E81-L103 PolarHBondContact N-O 2.94Å; E81-L103 PolarHBondContact O-N 3.48Å; L103-S109 PolarHBondContact O-OG 3.38Å
104	T	95.2	Very high	94.8	Very high	11 Å²	11	64.5 Å²	64.5	7%	0.067	32%	0.323	C	S	.	.	S	Bend	trans	-92.6	-17.1	-173.5	73.3	0	0	0	0	114.1	D37 M58 I60 V80 I102 R113	D37-T104 PolarHBondContact OD1-N 3.31Å; D37-T104 PolarHBondContact OD2-OG1 2.96Å; M58-T104 HydrophobicContact CE-CG2 3.04Å; M58-T104 WeakPolarHBondContact CE-OG1 3.4Å; M58-T104 HydrophobicContact SD-CG2 3.57Å; M58-T104 VanDerWaalsContact SD-CG2 3.57Å; M58-T104 PolarHBondContact SD-OG1 3.25Å; M58-T104 VanDerWaalsContact SD-OG1 3.39Å; I60-T104 HydrophobicContact CD1-CG2 4.25Å; I60-T104 HydrophobicContact CG1-CG2 4.38Å; V80-T104 HydrophobicContact CG1-CG2 4.07Å; I102-T104 HydrophobicContact CG2-CG2 3.81Å; T104-R113 PolarHBondContact O-NH1 3.19Å; T104-R113 PolarHBondContact O-NH2 3.14Å
105	N	93.5	Very high	94.9	Very high	107 Å²	107	64 Å²	64	57%	0.572	33%	0.332	S	S	*	.	S	Bend	trans	-113.6	16	-177.7	-155.4	4.4	0	0	0	113.1	K110	N105-K110 WeakPolarHBondContact O-CE 3.42Å; N105-K110 WeakPolarHBondContact OD1-CE 3.19Å; N105-K110 PolarHBondContact OD1-NZ 3.26Å
106	S	94.8	Very high	95	Very high	20 Å²	20	63.4 Å²	63.4	14%	0.14	33%	0.328	C	S	.	.	S	Bend	trans	-70.1	157.8	177.3	73.5	0	0	0	0	112.7	E81 K108 S109 K110	E81-S106 WeakPolarHBondContact CB-OG 3.48Å; E81-S106 WeakPolarHBondContact OE2-CB 3.48Å; E81-S106 PolarHBondContact OE2-OG 3.38Å; S106-K108 VanDerWaalsContact C-N 3.27Å; S106-K108 PolarHBondContact O-N 2.95Å; S106-S109 PolarHBondContact O-N 3.17Å; S106-S109 VanDerWaalsContact O-N 3.17Å; S106-S109 WeakPolarHBondContact OG-CB 3.48Å; S106-S109 PolarHBondContact OG-N 3.23Å; S106-S109 PolarHBondContact OG-OG 2.9Å; S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.9Å
107	E	94.9	Very high	95	Very high	131 Å²	131	68.2 Å²	68.2	61%	0.612	35%	0.351	S	S	*	.	H	α-helix	trans	-58.7	-39.6	177.9	-171.5	-177.1	170.1	0	0	111.9	K110 K111	E107-K110 PolarHBondContact O-N 2.74Å; E107-K111 HydrophobicContact CG-CD 4.27Å; E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.3Å; E107-K111 IonicContact OE1-NZ 2.64Å; E107-K111 PolarHBondContact OE1-NZ 3Å
108	K	94.6	Very high	95	Very high	120 Å²	120	74.2 Å²	74.2	52%	0.522	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-39.2	177.8	-57.9	-173.4	-162.6	145.3	0	111.9	E81 V88 S106 K110 A112	E81-K108 WeakPolarHBondContact OE1-CD 3.38Å; E81-K108 WeakPolarHBondContact OE1-CE 3.45Å; E81-K108 IonicContact OE1-NZ 2.74Å; E81-K108 PolarHBondContact OE1-NZ 3.34Å; E81-K108 WeakPolarHBondContact OE2-CB 3.19Å; V88-K108 HydrophobicContact CG1-CB 4.35Å; S106-K108 VanDerWaalsContact C-N 3.27Å; S106-K108 PolarHBondContact O-N 2.95Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-A112 WeakPolarHBondContact O-CB 3.41Å; K108-A112 PolarHBondContact O-N 3.16Å
109	S	95.2	Very high	95.1	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65	-39.8	176.8	-61.8	0	0	0	0	111.5	E81 L103 S106 R113	E81-S109 WeakPolarHBondContact CB-OG 3.4Å; E81-S109 PolarHBondContact N-OG 2.9Å; L103-S109 PolarHBondContact O-OG 3.38Å; S106-S109 PolarHBondContact O-N 3.17Å; S106-S109 VanDerWaalsContact O-N 3.17Å; S106-S109 WeakPolarHBondContact OG-CB 3.48Å; S106-S109 PolarHBondContact OG-N 3.23Å; S106-S109 PolarHBondContact OG-OG 2.9Å; S109-R113 WeakPolarHBondContact O-CD 3.34Å; S109-R113 VanDerWaalsContact O-CG 3.26Å; S109-R113 WeakPolarHBondContact O-CG 3.18Å; S109-R113 PolarHBondContact O-N 2.94Å; S109-R113 VanDerWaalsContact O-N 3.16Å
110	K	95.6	Very high	95.3	Very high	92 Å²	92	70.7 Å²	70.7	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-53.3	175.7	-70.5	177.2	-176	173.9	0	112	N105 S106 E107 K108 A112 R113 E114	N105-K110 WeakPolarHBondContact O-CE 3.42Å; N105-K110 WeakPolarHBondContact OD1-CE 3.19Å; N105-K110 PolarHBondContact OD1-NZ 3.26Å; S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.9Å; E107-K110 PolarHBondContact O-N 2.74Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K110-A112 PolarHBondContact O-N 3.38Å; K110-R113 PolarHBondContact O-N 2.64Å; K110-E114 WeakPolarHBondContact O-CG 3.39Å; K110-E114 PolarHBondContact O-N 2.87Å
111	K	96.2	Very high	95.3	Very high	123 Å²	123	72.1 Å²	72.1	54%	0.535	36%	0.363	S	S	.	.	H	α-helix	trans	-57.2	-39.3	177.6	-73	-178.1	-178.6	175.4	0	112.3	E107 R113 E114 G115	E107-K111 HydrophobicContact CG-CD 4.27Å; E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.3Å; E107-K111 IonicContact OE1-NZ 2.64Å; E107-K111 PolarHBondContact OE1-NZ 3Å; K111-R113 VanDerWaalsContact C-N 3.31Å; K111-R113 PolarHBondContact O-N 2.81Å; K111-E114 PolarHBondContact O-N 3.49Å; K111-G115 PolarHBondContact O-N 2.95Å
112	A	95.8	Very high	95.3	Very high	20 Å²	20	74.5 Å²	74.5	17%	0.165	38%	0.375	C	S	.	.	H	α-helix	trans	-64.9	-34.3	176.3	0	0	0	0	0	112.8	L79 V88 K108 K110 V116	L79-A112 HydrophobicContact CB-CB 4.08Å; L79-A112 HydrophobicContact CD1-CB 4.04Å; V88-A112 HydrophobicContact CG1-CB 4.36Å; V88-A112 HydrophobicContact CG2-CB 4.03Å; K108-A112 WeakPolarHBondContact O-CB 3.41Å; K108-A112 PolarHBondContact O-N 3.16Å; K110-A112 PolarHBondContact O-N 3.38Å; A112-V116 WeakPolarHBondContact O-CG2 3.13Å; A112-V116 PolarHBondContact O-N 3.45Å
113	R	96.3	Very high	95.3	Very high	39 Å²	39	79.2 Å²	79.2	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-77.6	-39.8	176.9	-70.4	168.8	-173.1	165.6	6.6	112.1	M77 L79 T104 S109 K110 K111 V116 M117	M77-R113 HydrophobicContact CE-CB 4.32Å; M77-R113 HydrophobicContact SD-CB 4.36Å; L79-R113 PolarHBondContact O-NE 2.95Å; L79-R113 PolarHBondContact O-NH2 2.95Å; T104-R113 PolarHBondContact O-NH1 3.19Å; T104-R113 PolarHBondContact O-NH2 3.14Å; S109-R113 WeakPolarHBondContact O-CD 3.34Å; S109-R113 VanDerWaalsContact O-CG 3.26Å; S109-R113 WeakPolarHBondContact O-CG 3.18Å; S109-R113 PolarHBondContact O-N 2.94Å; S109-R113 VanDerWaalsContact O-N 3.16Å; K110-R113 PolarHBondContact O-N 2.64Å; K111-R113 VanDerWaalsContact C-N 3.31Å; K111-R113 PolarHBondContact O-N 2.81Å; R113-V116 PolarHBondContact O-N 3.37Å; R113-V116 VanDerWaalsContact O-N 3.17Å; R113-M117 PolarHBondContact O-N 3.39Å
114	E	96.3	Very high	95.3	Very high	125 Å²	125	81.2 Å²	81.2	58%	0.584	41%	0.408	S	S	*	.	H	α-helix	trans	-59.2	-48.8	174.1	-72.5	166.1	-169.1	0	0	110.4	K110 K111 V116 M117 E118	K110-E114 WeakPolarHBondContact O-CG 3.39Å; K110-E114 PolarHBondContact O-N 2.87Å; K111-E114 PolarHBondContact O-N 3.49Å; E114-V116 PolarHBondContact O-N 3.17Å; E114-V116 VanDerWaalsContact O-N 3.14Å; E114-M117 PolarHBondContact O-N 3.49Å; E114-E118 PolarHBondContact O-N 3.41Å
115	G	96.3	Very high	95.3	Very high	48 Å²	48	86.2 Å²	86.2	50%	0.495	43%	0.432	S	S	.	.	H	α-helix	trans	-69.2	-8.1	176.6	0	0	0	0	0	115.4	K111	K111-G115 PolarHBondContact O-N 2.95Å
116	V	96.4	Very high	95.4	Very high	48 Å²	48	84.6 Å²	84.6	29%	0.291	42%	0.421	S	S	.	.	H	α-helix	trans	-91.3	-20.9	170	167.2	0	0	0	0	111.3	C75 R76 M77 L79 A112 R113 E114	C75-V116 WeakPolarHBondContact O-CG1 3.12Å; R76-V116 HydrophobicContact CB-CG2 3.96Å; M77-V116 HydrophobicContact CB-CG1 4.35Å; M77-V116 HydrophobicContact SD-CG1 4.12Å; L79-V116 HydrophobicContact CD1-CG2 4.31Å; A112-V116 WeakPolarHBondContact O-CG2 3.13Å; A112-V116 PolarHBondContact O-N 3.45Å; R113-V116 PolarHBondContact O-N 3.37Å; R113-V116 VanDerWaalsContact O-N 3.17Å; E114-V116 PolarHBondContact O-N 3.17Å; E114-V116 VanDerWaalsContact O-N 3.14Å
117	M	94.9	Very high	95.5	Very high	110 Å²	110	90 Å²	90	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-96.8	-23.1	-179.4	-161.8	66.9	58.7	0	0	113.2	F63 M77 R113 E114	F63-M117 HydrophobicContact CE2-CE 3.7Å; F63-M117 HydrophobicContact CZ-CE 3.72Å; F63-M117 HydrophobicContact CZ-SD 4.38Å; M77-M117 HydrophobicContact CE-CE 3.28Å; M77-M117 HydrophobicContact SD-CE 3.69Å; R113-M117 PolarHBondContact O-N 3.39Å; E114-M117 PolarHBondContact O-N 3.49Å
118	E	93.3	Very high	95.5	Very high	224 Å²	224	86.3 Å²	86.3	100%	1.047	43%	0.43	S	S	*	.			trans	-61	0	169.2	-171.6	178.5	-179.6	0	0	111.7	E114	E114-E118 PolarHBondContact O-N 3.41Å

Retrieved 118 of 118 residues in 620.4 ms (Link to these results)

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