A0A087XML7_POEFO Loading...

Neudesin neurotrophic factor

AlphaFold DB , UniProt , Accession A0A087XML7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	51.1	Low	245 Å²	245	146.2 Å²	146.2	100%	1.207	81%	0.807	S	S	*	*				0	123	0	-76	-174.9	-91.1	0	0	106.9
2	A	46.8	Very low	51.1	Low	103 Å²	103	146.3 Å²	146.3	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.8	135.1	-154	0	0	0	0	0	114.1
3	T	50.4	Low	51.1	Low	138 Å²	138	147 Å²	147	85%	0.847	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.8	130.1	165.6	37.7	0	0	0	0	109.6
4	T	56.9	Low	51.1	Low	132 Å²	132	143.9 Å²	143.9	81%	0.81	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.6	130.3	179.6	41.3	0	0	0	0	111.3
5	P	56	Low	51.2	Low	103 Å²	103	143.7 Å²	143.7	67%	0.669	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.6	119	167.8	31.3	-25	0	0	0	110.8	W7	P5-W7 PolarHBondContact O-N 3.23Å; P5-W7 VanDerWaalsContact O-N 3.08Å
6	V	56.3	Low	51.3	Low	123 Å²	123	141.2 Å²	141.2	75%	0.745	80%	0.798	S	S	*	*			trans	-49.7	99.7	167.9	178.4	0	0	0	0	110.5
7	W	50.8	Low	51.5	Low	210 Å²	210	142.1 Å²	142.1	80%	0.795	80%	0.799	S	S	*	*			trans	-128.5	20.3	169.4	-80.2	94.8	0	0	0	112.6	P5	P5-W7 PolarHBondContact O-N 3.23Å; P5-W7 VanDerWaalsContact O-N 3.08Å
8	V	51.5	Low	51.8	Low	125 Å²	125	139.3 Å²	139.3	76%	0.758	80%	0.796	S	S	*	*	S	Bend	trans	-95.7	-7.1	175.6	-174.5	0	0	0	0	111.8
9	L	48.7	Very low	51.9	Low	138 Å²	138	141.1 Å²	141.1	72%	0.723	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	8.2	-173.7	-130.4	102.7	0	0	0	115.9
10	F	48.3	Very low	52.1	Low	176 Å²	176	141.9 Å²	141.9	77%	0.772	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	18.5	-179.8	-125	-86	0	0	0	114.4
11	V	50	Low	51.8	Low	115 Å²	115	140.8 Å²	140.8	70%	0.697	79%	0.79	S	S	*	*	S	Bend	trans	-106.6	-6.8	168.9	179.5	0	0	0	0	111.5
12	L	51.3	Low	52	Low	148 Å²	148	136.6 Å²	136.6	78%	0.775	77%	0.768	S	S	*	*	S	Bend	trans	-102.3	17.8	-175.8	-76.6	167.9	0	0	0	114.5
13	L	51	Low	52	Low	155 Å²	155	138.7 Å²	138.7	81%	0.812	76%	0.764	S	S	*	*	S	Bend	trans	-129.3	31.8	179	-148.1	92.5	0	0	0	114.1
14	S	51.3	Low	51.9	Low	103 Å²	103	138.7 Å²	138.7	72%	0.72	76%	0.759	S	S	*	*	S	Bend	trans	-139.4	14.1	167.8	67.1	0	0	0	0	114.1	S16	S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 3.45Å
15	V	51.5	Low	51.5	Low	142 Å²	142	140.9 Å²	140.9	86%	0.861	75%	0.754	S	S	*	*			trans	-100.5	62.6	164.3	-171.2	0	0	0	0	107.6
16	S	53.1	Low	51.4	Low	103 Å²	103	144 Å²	144	72%	0.72	76%	0.756	S	S	*	*			trans	-117.7	100.4	172	161.7	0	0	0	0	108.1	S14	S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 3.45Å
17	L	55.4	Low	51.4	Low	157 Å²	157	142.8 Å²	142.8	82%	0.822	75%	0.751	S	S	*	*			trans	66.9	71.7	135.9	-133.4	73.2	0	0	0	116.3
18	A	55.8	Low	51.7	Low	91 Å²	91	136.9 Å²	136.9	75%	0.752	75%	0.747	S	S	*	*			trans	-134.9	67.8	141.9	0	0	0	0	0	107.5	E20	A18-E20 PolarHBondContact O-N 2.62Å
19	E	54.6	Low	52.3	Low	174 Å²	174	135.6 Å²	135.6	81%	0.813	74%	0.74	S	S	*	*			trans	-63.6	100.1	146.8	-85	179.9	128.2	0	0	104.6	V21	E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 2.92Å
20	E	56.5	Low	53.2	Low	157 Å²	157	135.8 Å²	135.8	73%	0.734	74%	0.735	S	S	*	*			trans	-56	103.2	163.8	-69.9	-165.5	165.8	0	0	106.1	A18 Q22	A18-E20 PolarHBondContact O-N 2.62Å; E20-Q22 PolarHBondContact O-N 3.02Å
21	V	44.7	Very low	54.4	Low	118 Å²	118	133.1 Å²	133.1	72%	0.715	74%	0.735	S	S	*	*			trans	-61.9	89.2	162.4	177.2	0	0	0	0	104.6	E19 L23	E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 2.92Å; V21-L23 HydrophobicContact CG1-CD1 4.27Å; V21-L23 HydrophobicContact CG1-CG 4.48Å; V21-L23 PolarHBondContact O-N 2.91Å
22	Q	52	Low	56	Low	158 Å²	158	129.6 Å²	129.6	74%	0.738	71%	0.714	S	S	*	*			trans	-60.4	85.3	163	-72.2	-81.7	27.7	0	0	105.1	E20 N24	E20-Q22 PolarHBondContact O-N 3.02Å; Q22-N24 VanDerWaalsContact C-N 3.29Å; Q22-N24 PolarHBondContact O-N 3.46Å
23	L	45.1	Very low	57.9	Low	147 Å²	147	126.7 Å²	126.7	77%	0.77	69%	0.693	S	S	*	*			trans	-55.2	105.3	167.7	-106.5	119.6	0	0	0	104.6	V21 Y25	V21-L23 HydrophobicContact CG1-CD1 4.27Å; V21-L23 HydrophobicContact CG1-CG 4.48Å; V21-L23 PolarHBondContact O-N 2.91Å; L23-Y25 PolarHBondContact O-N 3.31Å
24	N	49.2	Very low	59.9	Low	138 Å²	138	122.1 Å²	122.1	74%	0.738	67%	0.669	S	S	*	*			trans	-65.9	79.4	173	-172.1	12.5	0	0	0	106.6	Q22 K26	Q22-N24 VanDerWaalsContact C-N 3.29Å; Q22-N24 PolarHBondContact O-N 3.46Å; N24-K26 VanDerWaalsContact C-N 3.29Å; N24-K26 PolarHBondContact O-N 3.32Å
25	Y	48.6	Very low	62	Low	178 Å²	178	117.2 Å²	117.2	70%	0.698	63%	0.634	S	S	*	*			trans	-69.7	93.3	179.2	178	-100.3	0	0	0	106.4	L23 P27	L23-Y25 PolarHBondContact O-N 3.31Å; Y25-P27 HydrophobicContact CE1-CB 4.18Å; Y25-P27 VanDerWaalsContact O-CD 3.31Å; Y25-P27 WeakPolarHBondContact O-CD 3.49Å
26	K	54.5	Low	64.1	Low	167 Å²	167	113 Å²	113	73%	0.726	61%	0.609	S	S	*	*			trans	-67.2	114.8	162.8	-67.4	-173.5	178.6	-176.6	0	105.7	N24 A28	N24-K26 VanDerWaalsContact C-N 3.29Å; N24-K26 PolarHBondContact O-N 3.32Å; K26-A28 PolarHBondContact O-N 3.14Å
27	P	55.7	Low	66.1	Low	99 Å²	99	114 Å²	114	64%	0.643	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-55	136.1	176.3	23.3	-32.1	0	0	0	108.5	Y25 T29	Y25-P27 HydrophobicContact CE1-CB 4.18Å; Y25-P27 VanDerWaalsContact O-CD 3.31Å; Y25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-T29 PolarHBondContact O-N 3.07Å; P27-T29 VanDerWaalsContact O-N 3.12Å
28	A	57.7	Low	68.1	Low	86 Å²	86	112.6 Å²	112.6	71%	0.711	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-53.9	122.3	177.6	0	0	0	0	0	108.8	K26 K30	K26-A28 PolarHBondContact O-N 3.14Å; A28-K30 PolarHBondContact O-N 3.41Å
29	T	63.2	Low	70	Confident	97 Å²	97	110.2 Å²	110.2	60%	0.595	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-56.7	127.9	173.3	44.3	0	0	0	0	108.3	P27	P27-T29 PolarHBondContact O-N 3.07Å; P27-T29 VanDerWaalsContact O-N 3.12Å
30	K	68.4	Low	72.1	Confident	142 Å²	142	102 Å²	102	62%	0.617	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-50.7	133.4	174	-70.5	-172	177.5	-171.9	0	108.9	A28 V32	A28-K30 PolarHBondContact O-N 3.41Å; K30-V32 PolarHBondContact O-N 3.48Å
31	P	72.5	Confident	74.1	Confident	120 Å²	120	98.9 Å²	98.9	78%	0.779	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-60.9	134	178	25.5	-32.6	0	0	0	109.2
32	V	83.8	Confident	76.6	Confident	42 Å²	42	100.2 Å²	100.2	26%	0.255	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-93.2	139.9	176.1	-65.9	0	0	0	0	109.6	K30 Y130 L135 F146 P148 F154	K30-V32 PolarHBondContact O-N 3.48Å; V32-Y130 HydrophobicContact CB-CD2 3.94Å; V32-Y130 HydrophobicContact CB-CE2 3.98Å; V32-Y130 HydrophobicContact CG1-CD2 4.27Å; V32-Y130 HydrophobicContact CG1-CE2 3.79Å; V32-Y130 HydrophobicContact CG2-CD2 4.22Å; V32-L135 HydrophobicContact CG2-CD1 4.38Å; V32-F146 HydrophobicContact CG2-CE1 4.08Å; V32-F146 HydrophobicContact CG2-CZ 4.45Å; V32-P148 HydrophobicContact CG1-CB 3.77Å; V32-P148 HydrophobicContact CG1-CG 4.44Å; V32-F154 HydrophobicContact CB-CZ 4.25Å; V32-F154 HydrophobicContact CG1-CE2 3.76Å; V32-F154 HydrophobicContact CG1-CZ 3.76Å
33	R	91.1	Very high	78.8	Confident	87 Å²	87	94 Å²	94	33%	0.328	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-75	131.3	175.1	-175.7	174.6	173.7	-171.1	-2.1	110.1	F35 E39 Y43 V128 G129 Y130	R33-F35 HydrophobicContact CB-CE2 4.11Å; R33-F35 VanDerWaalsContact CD-CZ 3.45Å; R33-F35 HydrophobicContact CG-CD2 4.12Å; R33-F35 HydrophobicContact CG-CE2 3.65Å; R33-F35 HydrophobicContact CG-CZ 4.06Å; R33-E39 IonicContact CZ-OE1 3.62Å; R33-E39 IonicContact NE-OE1 2.85Å; R33-E39 IonicContact NH2-OE1 3.24Å; R33-E39 PolarHBondContact NH2-OE1 2.96Å; R33-Y43 PolarHBondContact NH2-OH 2.78Å; R33-V128 WeakPolarHBondContact CB-O 3.13Å; R33-G129 CarbonylContact O-C 3.57Å; R33-G129 WeakPolarHBondContact O-CA 3.48Å; R33-Y130 PolarHBondContact O-N 2.63Å
34	L	93.3	Very high	81.3	Confident	59 Å²	59	89.7 Å²	89.7	31%	0.309	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.4	171.3	-179	149.1	0	0	0	108.9	T36 Y130 A132 L135 L136	L34-T36 HydrophobicContact CD2-CG2 4.22Å; L34-Y130 CarbonylContact C-O 2.98Å; L34-Y130 WeakPolarHBondContact CA-O 3.23Å; L34-A132 HydrophobicContact CD1-CB 4.39Å; L34-A132 HydrophobicContact CD2-CB 4.08Å; L34-A132 HydrophobicContact CG-CB 4.32Å; L34-L135 HydrophobicContact CB-CD1 3.89Å; L34-L135 HydrophobicContact CD1-CB 4.31Å; L34-L135 HydrophobicContact CD1-CD1 3.91Å; L34-L135 HydrophobicContact CG-CD1 4.05Å; L34-L136 HydrophobicContact CD1-CD1 3.84Å; L34-L136 HydrophobicContact CD1-CD2 4.42Å; L34-L136 HydrophobicContact CD1-CG 4.05Å
35	F	95.6	Very high	83.5	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	172.9	-71.8	-96.5	0	0	0	109.8	R33 E39 L40 Y43 Y53 V60 V128 Y130 T131 A132	R33-F35 HydrophobicContact CB-CE2 4.11Å; R33-F35 VanDerWaalsContact CD-CZ 3.45Å; R33-F35 HydrophobicContact CG-CD2 4.12Å; R33-F35 HydrophobicContact CG-CE2 3.65Å; R33-F35 HydrophobicContact CG-CZ 4.06Å; F35-E39 HydrophobicContact CD1-CG 3.94Å; F35-L40 HydrophobicContact CB-CB 4.49Å; F35-L40 HydrophobicContact CD1-CD1 4.27Å; F35-Y43 HydrophobicContact CE1-CD2 4.4Å; F35-Y43 HydrophobicContact CE1-CE2 4.01Å; F35-Y53 AromaticContact CE1-CD2 3.63Å; F35-Y53 HydrophobicContact CE1-CD2 3.63Å; F35-Y53 AromaticContact CE1-CE2 3.67Å; F35-Y53 HydrophobicContact CE1-CE2 3.67Å; F35-Y53 AromaticContact CZ-CD2 3.93Å; F35-Y53 HydrophobicContact CZ-CD2 3.93Å; F35-Y53 AromaticContact CZ-CE2 3.76Å; F35-Y53 HydrophobicContact CZ-CE2 3.76Å; F35-V60 HydrophobicContact CB-CG2 4.21Å; F35-V60 HydrophobicContact CD2-CB 4.09Å; F35-V60 HydrophobicContact CD2-CG1 4.18Å; F35-V60 HydrophobicContact CD2-CG2 3.68Å; F35-V60 HydrophobicContact CE2-CB 4.13Å; F35-V60 HydrophobicContact CE2-CG1 4.03Å; F35-V60 HydrophobicContact CE2-CG2 4.25Å; F35-V60 HydrophobicContact CG-CG1 4.5Å; F35-V60 HydrophobicContact CG-CG2 4.05Å; F35-V60 HydrophobicContact CZ-CG1 4.21Å; F35-V128 HydrophobicContact CE2-CG2 4.26Å; F35-V128 HydrophobicContact CZ-CG2 4.13Å; F35-Y130 PolarHBondContact N-O 3.47Å; F35-T131 CarbonylContact O-C 3.51Å; F35-T131 WeakPolarHBondContact O-CA 3.37Å; F35-A132 PolarHBondContact O-N 3.13Å
36	T	96.1	Very high	85.7	Confident	53 Å²	53	77.9 Å²	77.9	33%	0.325	41%	0.408	S	S	.	.			trans	-74.3	167.1	162.6	80.5	0	0	0	0	109.9	L34 E38 E39 L40	L34-T36 HydrophobicContact CD2-CG2 4.22Å; T36-E38 VanDerWaalsContact C-N 3.32Å; T36-E38 VanDerWaalsContact CB-OE2 3.23Å; T36-E38 WeakPolarHBondContact CB-OE2 3.27Å; T36-E38 PolarHBondContact OG1-N 3.32Å; T36-E38 PolarHBondContact OG1-OE2 2.95Å; T36-E39 PolarHBondContact O-N 3.19Å; T36-E39 PolarHBondContact OG1-N 3.48Å; T36-L40 WeakPolarHBondContact O-CB 3.28Å; T36-L40 PolarHBondContact O-N 2.74Å
37	E	95.1	Very high	87.7	Confident	124 Å²	124	76 Å²	76	58%	0.579	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-42.3	177.1	-168.8	174.5	170.4	0	0	111	E39 L40 Q41	E37-E39 PolarHBondContact O-N 3.26Å; E37-L40 PolarHBondContact O-N 2.91Å; E37-Q41 VanDerWaalsContact O-CG 3.27Å; E37-Q41 WeakPolarHBondContact O-CG 3.46Å; E37-Q41 PolarHBondContact O-N 3.29Å
38	E	96.5	Very high	89.3	Confident	127 Å²	127	79.8 Å²	79.8	59%	0.593	41%	0.41	S	S	*	.	H	α-helix	trans	-65.7	-38.8	178	-52.4	75.1	-163.2	0	0	111.5	T36	T36-E38 VanDerWaalsContact C-N 3.32Å; T36-E38 VanDerWaalsContact CB-OE2 3.23Å; T36-E38 WeakPolarHBondContact CB-OE2 3.27Å; T36-E38 PolarHBondContact OG1-N 3.32Å; T36-E38 PolarHBondContact OG1-OE2 2.95Å
39	E	96.8	Very high	90.8	Very high	41 Å²	41	79.5 Å²	79.5	19%	0.192	42%	0.416	C	S	.	.	H	α-helix	trans	-64.6	-44.6	174.7	174.7	170.8	-165.8	0	0	111.1	R33 F35 T36 E37 Q41 R42 Y43	R33-E39 IonicContact CZ-OE1 3.62Å; R33-E39 IonicContact NE-OE1 2.85Å; R33-E39 IonicContact NH2-OE1 3.24Å; R33-E39 PolarHBondContact NH2-OE1 2.96Å; F35-E39 HydrophobicContact CD1-CG 3.94Å; T36-E39 PolarHBondContact O-N 3.19Å; T36-E39 PolarHBondContact OG1-N 3.48Å; E37-E39 PolarHBondContact O-N 3.26Å; E39-Q41 VanDerWaalsContact C-N 3.33Å; E39-Q41 PolarHBondContact O-N 2.8Å; E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 2.95Å; E39-Y43 HydrophobicContact CG-CE2 4.25Å; E39-Y43 VanDerWaalsContact O-CD2 3.28Å; E39-Y43 WeakPolarHBondContact O-CD2 3.11Å; E39-Y43 WeakPolarHBondContact O-CE2 3.45Å
40	L	97.7	Very high	92.4	Very high	3 Å²	3	77.2 Å²	77.2	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-37.9	-179.2	-172.1	59.3	0	0	0	111.6	F35 T36 E37 R42 Y43 Y53 A55 V60 G81 T131	F35-L40 HydrophobicContact CB-CB 4.49Å; F35-L40 HydrophobicContact CD1-CD1 4.27Å; T36-L40 WeakPolarHBondContact O-CB 3.28Å; T36-L40 PolarHBondContact O-N 2.74Å; E37-L40 PolarHBondContact O-N 2.91Å; L40-R42 PolarHBondContact O-N 3.19Å; L40-R42 VanDerWaalsContact O-N 3.13Å; L40-Y43 PolarHBondContact O-N 3.24Å; L40-Y53 HydrophobicContact CD1-CD2 4.47Å; L40-A55 HydrophobicContact CD2-CB 3.73Å; L40-V60 HydrophobicContact CD1-CG1 3.78Å; L40-G81 CarbonylContact C-O 3.58Å; L40-G81 VanDerWaalsContact O-CA 3.23Å; L40-G81 WeakPolarHBondContact O-CA 3.33Å; L40-T131 HydrophobicContact CD2-CG2 4.39Å
41	Q	97.6	Very high	93.8	Very high	91 Å²	91	72 Å²	72	43%	0.425	38%	0.379	S	S	.	.	H	α-helix	trans	-56.1	-27.8	177.3	-77.6	172.4	21.4	0	0	114	E37 E39 Y43 G81	E37-Q41 VanDerWaalsContact O-CG 3.27Å; E37-Q41 WeakPolarHBondContact O-CG 3.46Å; E37-Q41 PolarHBondContact O-N 3.29Å; E39-Q41 VanDerWaalsContact C-N 3.33Å; E39-Q41 PolarHBondContact O-N 2.8Å; Q41-Y43 PolarHBondContact O-N 2.9Å; Q41-G81 WeakPolarHBondContact CA-O 3.23Å; Q41-G81 WeakPolarHBondContact CG-O 3.42Å; Q41-G81 PolarHBondContact N-O 3.38Å
42	R	97.6	Very high	95	Very high	145 Å²	145	66.5 Å²	66.5	55%	0.547	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.9	176.4	-61.3	-173.5	-67.5	175.2	-3.9	113.6	E39 L40 Q50	E39-R42 WeakPolarHBondContact O-CB 3.44Å; E39-R42 PolarHBondContact O-N 2.95Å; L40-R42 PolarHBondContact O-N 3.19Å; L40-R42 VanDerWaalsContact O-N 3.13Å; R42-Q50 PolarHBondContact O-NE2 2.96Å; R42-Q50 PolarHBondContact O-OE1 2.79Å
43	Y	98.2	Very high	95.8	Very high	29 Å²	29	65 Å²	65	11%	0.114	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	36	-176.6	-59.3	-81.3	0	0	0	111.7	R33 F35 E39 L40 Q41 G45 Q50 P51 I52 Y53	R33-Y43 PolarHBondContact NH2-OH 2.78Å; F35-Y43 HydrophobicContact CE1-CD2 4.4Å; F35-Y43 HydrophobicContact CE1-CE2 4.01Å; E39-Y43 HydrophobicContact CG-CE2 4.25Å; E39-Y43 VanDerWaalsContact O-CD2 3.28Å; E39-Y43 WeakPolarHBondContact O-CD2 3.11Å; E39-Y43 WeakPolarHBondContact O-CE2 3.45Å; L40-Y43 PolarHBondContact O-N 3.24Å; Q41-Y43 PolarHBondContact O-N 2.9Å; Y43-G45 PolarHBondContact O-N 3.33Å; Y43-Q50 HydrophobicContact CD1-CG 3.92Å; Y43-Q50 HydrophobicContact CE1-CG 4.12Å; Y43-P51 HydrophobicContact CD1-CG 3.86Å; Y43-P51 WeakPolarHBondContact CD1-O 3.13Å; Y43-P51 HydrophobicContact CE1-CG 3.84Å; Y43-I52 WeakPolarHBondContact O-CA 3.12Å; Y43-Y53 AromaticContact CD1-CD2 3.65Å; Y43-Y53 HydrophobicContact CD1-CD2 3.65Å; Y43-Y53 AromaticContact CD1-CE2 3.57Å; Y43-Y53 HydrophobicContact CD1-CE2 3.57Å; Y43-Y53 HydrophobicContact CD1-CG 4.29Å; Y43-Y53 AromaticContact CD2-CD2 3.42Å; Y43-Y53 HydrophobicContact CD2-CD2 3.42Å; Y43-Y53 VanDerWaalsContact CD2-CD2 3.42Å; Y43-Y53 AromaticContact CD2-CE2 3.82Å; Y43-Y53 HydrophobicContact CD2-CE2 3.82Å; Y43-Y53 HydrophobicContact CD2-CG 4.38Å; Y43-Y53 HydrophobicContact CE1-CD2 4.09Å; Y43-Y53 AromaticContact CE1-CE2 3.57Å; Y43-Y53 HydrophobicContact CE1-CE2 3.57Å; Y43-Y53 AromaticContact CE2-CD2 3.86Å; Y43-Y53 HydrophobicContact CE2-CD2 3.86Å; Y43-Y53 AromaticContact CE2-CE2 3.81Å; Y43-Y53 HydrophobicContact CE2-CE2 3.81Å; Y43-Y53 AromaticContact CG-CD2 3.28Å; Y43-Y53 HydrophobicContact CG-CD2 3.28Å; Y43-Y53 AromaticContact CG-CE2 3.69Å; Y43-Y53 HydrophobicContact CG-CE2 3.69Å; Y43-Y53 AromaticContact CG-CG 3.91Å; Y43-Y53 HydrophobicContact CG-CG 3.91Å; Y43-Y53 AromaticContact CZ-CE2 3.67Å; Y43-Y53 PolarHBondContact O-N 2.87Å
44	D	97.8	Very high	96.1	Very high	56 Å²	56	60.9 Å²	60.9	30%	0.299	32%	0.317	S	S	.	.	S	Bend	trans	-79.8	2.4	179.9	71.7	-8.3	0	0	0	114	S46 N77 V80	D44-S46 VanDerWaalsContact C-N 3.3Å; D44-S46 PolarHBondContact O-N 2.52Å; D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.16Å; D44-S46 PolarHBondContact OD1-OG 2.88Å; D44-N77 PolarHBondContact O-ND2 3.22Å; D44-V80 WeakPolarHBondContact O-CG2 3.41Å
45	G	96.5	Very high	96.4	Very high	10 Å²	10	58 Å²	58	10%	0.103	30%	0.303	C	S	.	.	S	Bend	trans	75.1	14	-179.9	0	0	0	0	0	115	Y43 K72	Y43-G45 PolarHBondContact O-N 3.33Å; G45-K72 WeakPolarHBondContact O-CB 3.24Å; G45-K72 PolarHBondContact O-N 3.01Å
46	S	95	Very high	96.5	Very high	58 Å²	58	58 Å²	58	41%	0.406	30%	0.303	S	S	.	.			trans	-73.1	-31.8	174.2	62.8	0	0	0	0	113.4	D44	D44-S46 VanDerWaalsContact C-N 3.3Å; D44-S46 PolarHBondContact O-N 2.52Å; D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.16Å; D44-S46 PolarHBondContact OD1-OG 2.88Å
47	E	94.7	Very high	96.5	Very high	126 Å²	126	58.9 Å²	58.9	59%	0.589	30%	0.302	S	S	*	.	S	Bend	trans	-92.5	130.8	178.5	-59.9	-169.1	-177.8	0	0	111.8	Q50	E47-Q50 HydrophobicContact CB-CB 4.06Å; E47-Q50 PolarHBondContact OE2-OE1 2.92Å
48	E	90.6	Very high	96.5	Very high	179 Å²	179	53.1 Å²	53.1	84%	0.836	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	132.6	178.3	-171.4	168	-158.3	0	0	111.4	Q50	E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 2.89Å
49	G	89.8	Confident	96.5	Very high	80 Å²	80	47.2 Å²	47.2	83%	0.825	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	-12.8	-179.4	0	0	0	0	0	114.2
50	Q	95.8	Very high	96.5	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	24%	0.239	C	C	.	.	S	Bend	trans	-80	144.5	170.8	-163.8	177.4	7.3	0	0	110.7	R42 Y43 E47 E48	R42-Q50 PolarHBondContact O-NE2 2.96Å; R42-Q50 PolarHBondContact O-OE1 2.79Å; Y43-Q50 HydrophobicContact CD1-CG 3.92Å; Y43-Q50 HydrophobicContact CE1-CG 4.12Å; E47-Q50 HydrophobicContact CB-CB 4.06Å; E47-Q50 PolarHBondContact OE2-OE1 2.92Å; E48-Q50 VanDerWaalsContact C-N 3.27Å; E48-Q50 PolarHBondContact O-N 2.89Å
51	P	97.9	Very high	96.5	Very high	32 Å²	32	45.1 Å²	45.1	21%	0.208	24%	0.238	C	C	.	.			trans	-66.3	157.5	173	26.7	-34.3	0	0	0	112	Y43 Y53 S64	Y43-P51 HydrophobicContact CD1-CG 3.86Å; Y43-P51 WeakPolarHBondContact CD1-O 3.13Å; Y43-P51 HydrophobicContact CE1-CG 3.84Å; P51-Y53 HydrophobicContact CB-CD1 4.25Å; P51-Y53 HydrophobicContact CB-CE1 3.54Å; P51-Y53 HydrophobicContact CG-CE1 3.89Å; P51-Y53 HydrophobicContact CG-CE2 4.42Å; P51-Y53 WeakPolarHBondContact CG-OH 3.34Å; P51-S64 VanDerWaalsContact CA-OG 3.24Å; P51-S64 WeakPolarHBondContact CA-OG 3.34Å; P51-S64 WeakPolarHBondContact CB-OG 3.47Å
52	I	98.6	Very high	96.5	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.221	C	C	.	.			trans	-110.3	120.4	180	-48.3	176.4	0	0	0	108.1	Y43 V63 S64 K67 V80	Y43-I52 WeakPolarHBondContact O-CA 3.12Å; I52-V63 HydrophobicContact CB-CG2 4.08Å; I52-V63 HydrophobicContact CG2-CG2 3.78Å; I52-V63 VanDerWaalsContact O-CG2 3.29Å; I52-V63 WeakPolarHBondContact O-CG2 3.07Å; I52-V63 PolarHBondContact O-N 2.85Å; I52-S64 PolarHBondContact N-OG 2.85Å; I52-K67 HydrophobicContact CD1-CB 4.27Å; I52-K67 HydrophobicContact CD1-CG 4.08Å; I52-V80 HydrophobicContact CG2-CB 3.7Å; I52-V80 HydrophobicContact CG2-CG1 3.71Å; I52-V80 HydrophobicContact CG2-CG2 3.71Å
53	Y	98.6	Very high	96.5	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.2	-176.7	-61.8	-21.4	0	0	0	112.3	F35 L40 Y43 P51 V60 F61 D62 V80 G81 V128	F35-Y53 AromaticContact CE1-CD2 3.63Å; F35-Y53 HydrophobicContact CE1-CD2 3.63Å; F35-Y53 AromaticContact CE1-CE2 3.67Å; F35-Y53 HydrophobicContact CE1-CE2 3.67Å; F35-Y53 AromaticContact CZ-CD2 3.93Å; F35-Y53 HydrophobicContact CZ-CD2 3.93Å; F35-Y53 AromaticContact CZ-CE2 3.76Å; F35-Y53 HydrophobicContact CZ-CE2 3.76Å; L40-Y53 HydrophobicContact CD1-CD2 4.47Å; Y43-Y53 AromaticContact CD1-CD2 3.65Å; Y43-Y53 HydrophobicContact CD1-CD2 3.65Å; Y43-Y53 AromaticContact CD1-CE2 3.57Å; Y43-Y53 HydrophobicContact CD1-CE2 3.57Å; Y43-Y53 HydrophobicContact CD1-CG 4.29Å; Y43-Y53 AromaticContact CD2-CD2 3.42Å; Y43-Y53 HydrophobicContact CD2-CD2 3.42Å; Y43-Y53 VanDerWaalsContact CD2-CD2 3.42Å; Y43-Y53 AromaticContact CD2-CE2 3.82Å; Y43-Y53 HydrophobicContact CD2-CE2 3.82Å; Y43-Y53 HydrophobicContact CD2-CG 4.38Å; Y43-Y53 HydrophobicContact CE1-CD2 4.09Å; Y43-Y53 AromaticContact CE1-CE2 3.57Å; Y43-Y53 HydrophobicContact CE1-CE2 3.57Å; Y43-Y53 AromaticContact CE2-CD2 3.86Å; Y43-Y53 HydrophobicContact CE2-CD2 3.86Å; Y43-Y53 AromaticContact CE2-CE2 3.81Å; Y43-Y53 HydrophobicContact CE2-CE2 3.81Å; Y43-Y53 AromaticContact CG-CD2 3.28Å; Y43-Y53 HydrophobicContact CG-CD2 3.28Å; Y43-Y53 AromaticContact CG-CE2 3.69Å; Y43-Y53 HydrophobicContact CG-CE2 3.69Å; Y43-Y53 AromaticContact CG-CG 3.91Å; Y43-Y53 HydrophobicContact CG-CG 3.91Å; Y43-Y53 AromaticContact CZ-CE2 3.67Å; Y43-Y53 PolarHBondContact O-N 2.87Å; P51-Y53 HydrophobicContact CB-CD1 4.25Å; P51-Y53 HydrophobicContact CB-CE1 3.54Å; P51-Y53 HydrophobicContact CG-CE1 3.89Å; P51-Y53 HydrophobicContact CG-CE2 4.42Å; P51-Y53 WeakPolarHBondContact CG-OH 3.34Å; Y53-V60 HydrophobicContact CD2-CG1 4.4Å; Y53-V60 HydrophobicContact CG-CG1 4.24Å; Y53-F61 WeakPolarHBondContact CA-O 3.28Å; Y53-D62 HydrophobicContact CD1-CB 3.99Å; Y53-D62 HydrophobicContact CE1-CB 3.76Å; Y53-V80 WeakPolarHBondContact O-CA 3.29Å; Y53-V80 WeakPolarHBondContact O-CB 3.29Å; Y53-G81 PolarHBondContact O-N 2.93Å; Y53-V128 HydrophobicContact CD1-CG2 4.16Å; Y53-V128 HydrophobicContact CD2-CG2 4.49Å; Y53-V128 HydrophobicContact CE1-CG2 4.02Å; Y53-V128 HydrophobicContact CE2-CG2 4.38Å; Y53-V128 HydrophobicContact CG-CG2 4.41Å
54	M	98.4	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.6	177.4	-177.6	176.6	170.5	0	0	108.9	I56 F61 V63 Y70 L79 V80 V88 Y121	M54-I56 HydrophobicContact CE-CD1 3.81Å; M54-I56 HydrophobicContact CE-CG1 3.88Å; M54-I56 HydrophobicContact CG-CG1 4.34Å; M54-I56 HydrophobicContact SD-CD1 4.41Å; M54-F61 PolarHBondContact N-O 2.87Å; M54-F61 VanDerWaalsContact N-O 3.08Å; M54-F61 PolarHBondContact O-N 3.25Å; M54-V63 HydrophobicContact CB-CG1 4.1Å; M54-V63 HydrophobicContact CB-CG2 4.22Å; M54-Y70 HydrophobicContact SD-CE1 4.29Å; M54-L79 HydrophobicContact CE-CB 3.79Å; M54-L79 HydrophobicContact CE-CD1 3.97Å; M54-L79 HydrophobicContact CE-CG 4.35Å; M54-L79 WeakPolarHBondContact CG-O 3.37Å; M54-L79 HydrophobicContact SD-CB 3.93Å; M54-V80 HydrophobicContact CB-CG1 4.16Å; M54-V88 HydrophobicContact CE-CG2 3.56Å; M54-Y121 HydrophobicContact CE-CE1 4.33Å; M54-Y121 HydrophobicContact SD-CE1 3.95Å
55	A	98.5	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.6	173.2	0	0	0	0	0	112	L40 V59 V60 K82 D83 S84 T131	L40-A55 HydrophobicContact CD2-CB 3.73Å; A55-V59 CarbonylContact C-O 3.53Å; A55-V59 VanDerWaalsContact CA-O 3.22Å; A55-V59 WeakPolarHBondContact CA-O 3.13Å; A55-V60 HydrophobicContact CB-CG2 4.17Å; A55-K82 PolarHBondContact N-O 2.92Å; A55-D83 HydrophobicContact CB-CB 3.72Å; A55-D83 WeakPolarHBondContact O-CA 3.31Å; A55-S84 PolarHBondContact O-N 3.07Å; A55-T131 HydrophobicContact CB-CG2 3.55Å
56	I	98.1	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	129.7	174.1	-48.4	171.2	0	0	0	107.6	M54 G58 V59 F61 V88 L113 F117 Y121	M54-I56 HydrophobicContact CE-CD1 3.81Å; M54-I56 HydrophobicContact CE-CG1 3.88Å; M54-I56 HydrophobicContact CG-CG1 4.34Å; M54-I56 HydrophobicContact SD-CD1 4.41Å; I56-G58 PolarHBondContact O-N 2.81Å; I56-G58 VanDerWaalsContact O-N 3.16Å; I56-V59 PolarHBondContact N-O 3.07Å; I56-V59 WeakPolarHBondContact O-CB 3.16Å; I56-V59 PolarHBondContact O-N 3.05Å; I56-F61 HydrophobicContact CB-CE2 4.17Å; I56-F61 HydrophobicContact CD1-CD2 4.35Å; I56-F61 HydrophobicContact CD1-CE2 4.35Å; I56-F61 HydrophobicContact CG1-CD2 4.43Å; I56-F61 HydrophobicContact CG1-CE2 4.44Å; I56-V88 HydrophobicContact CD1-CG2 4.02Å; I56-V88 HydrophobicContact CG1-CG2 4.25Å; I56-V88 HydrophobicContact CG2-CB 4.45Å; I56-V88 HydrophobicContact CG2-CG1 4.46Å; I56-V88 HydrophobicContact CG2-CG2 4.45Å; I56-L113 HydrophobicContact CG2-CD1 3.74Å; I56-F117 HydrophobicContact CB-CD2 4.03Å; I56-F117 HydrophobicContact CB-CE2 4.37Å; I56-F117 HydrophobicContact CG2-CD2 3.82Å; I56-F117 WeakPolarHBondContact O-CE2 3.47Å; I56-Y121 HydrophobicContact CD1-CD1 3.54Å; I56-Y121 HydrophobicContact CD1-CD2 3.24Å; I56-Y121 HydrophobicContact CD1-CE1 3.65Å; I56-Y121 HydrophobicContact CD1-CE2 3.35Å; I56-Y121 HydrophobicContact CD1-CG 3.33Å
57	K	96.3	Very high	96.4	Very high	71 Å²	71	42 Å²	42	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	31.9	-170.2	-59.6	176.8	69.2	174.1	0	112.2	V59 T85 L113 D114 F117	K57-V59 PolarHBondContact O-N 2.96Å; K57-T85 WeakPolarHBondContact CA-OG1 3.38Å; K57-T85 HydrophobicContact CG-CG2 4.21Å; K57-T85 PolarHBondContact N-OG1 2.96Å; K57-L113 HydrophobicContact CD-CD2 4.26Å; K57-L113 HydrophobicContact CD-CG 4.18Å; K57-L113 HydrophobicContact CG-CD1 4.28Å; K57-L113 HydrophobicContact CG-CD2 4.01Å; K57-L113 HydrophobicContact CG-CG 4.22Å; K57-D114 IonicContact NZ-OD1 2.74Å; K57-D114 PolarHBondContact NZ-OD1 2.86Å; K57-F117 HydrophobicContact CB-CD2 4.48Å; K57-F117 HydrophobicContact CB-CE2 4.2Å; K57-F117 HydrophobicContact CD-CB 4.32Å; K57-F117 HydrophobicContact CD-CD1 4.15Å; K57-F117 HydrophobicContact CD-CD2 4.02Å; K57-F117 HydrophobicContact CD-CE1 4.46Å; K57-F117 HydrophobicContact CD-CE2 4.35Å; K57-F117 HydrophobicContact CD-CG 3.92Å; K57-F117 HydrophobicContact CG-CD2 4.32Å
58	G	95.4	Very high	96.6	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	10.3	-174.3	0	0	0	0	0	116	I56 D83 Y130 T131	I56-G58 PolarHBondContact O-N 2.81Å; I56-G58 VanDerWaalsContact O-N 3.16Å; G58-D83 VanDerWaalsContact CA-OD2 3.31Å; G58-D83 WeakPolarHBondContact CA-OD2 3.19Å; G58-D83 PolarHBondContact N-OD2 2.84Å; G58-D83 VanDerWaalsContact N-OD2 3.12Å; G58-Y130 CarbonylContact O-C 3.55Å; G58-Y130 VanDerWaalsContact O-CA 3.27Å; G58-Y130 WeakPolarHBondContact O-CA 3.37Å; G58-T131 VanDerWaalsContact CA-OG1 3.27Å; G58-T131 WeakPolarHBondContact CA-OG1 3.45Å; G58-T131 PolarHBondContact O-N 3.32Å
59	V	96	Very high	96.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	171.9	-174.2	0	0	0	0	108.8	A55 I56 K57 F61 F117 I127 Y130	A55-V59 CarbonylContact C-O 3.53Å; A55-V59 VanDerWaalsContact CA-O 3.22Å; A55-V59 WeakPolarHBondContact CA-O 3.13Å; I56-V59 PolarHBondContact N-O 3.07Å; I56-V59 WeakPolarHBondContact O-CB 3.16Å; I56-V59 PolarHBondContact O-N 3.05Å; K57-V59 PolarHBondContact O-N 2.96Å; V59-F61 HydrophobicContact CB-CE2 4.05Å; V59-F61 HydrophobicContact CB-CZ 4.23Å; V59-F61 HydrophobicContact CG1-CE1 4.32Å; V59-F61 HydrophobicContact CG1-CE2 4.07Å; V59-F61 HydrophobicContact CG1-CZ 3.89Å; V59-F117 HydrophobicContact CB-CE2 4.04Å; V59-F117 HydrophobicContact CB-CZ 4.16Å; V59-F117 HydrophobicContact CG2-CE2 4.02Å; V59-F117 HydrophobicContact CG2-CZ 3.74Å; V59-I127 HydrophobicContact CG1-CB 4.26Å; V59-I127 HydrophobicContact CG1-CD1 3.87Å; V59-I127 HydrophobicContact CG1-CG1 3.74Å; V59-I127 HydrophobicContact CG1-CG2 3.56Å; V59-Y130 HydrophobicContact CB-CD1 4.3Å; V59-Y130 HydrophobicContact CB-CE1 4.23Å; V59-Y130 HydrophobicContact CG1-CD1 4.35Å; V59-Y130 HydrophobicContact CG1-CE1 3.95Å; V59-Y130 HydrophobicContact CG2-CD1 3.97Å; V59-Y130 HydrophobicContact CG2-CE1 3.75Å
60	V	97.4	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119	-177.4	-173.6	0	0	0	0	109.4	F35 L40 Y53 A55 I127 V128 G129 T131	F35-V60 HydrophobicContact CB-CG2 4.21Å; F35-V60 HydrophobicContact CD2-CB 4.09Å; F35-V60 HydrophobicContact CD2-CG1 4.18Å; F35-V60 HydrophobicContact CD2-CG2 3.68Å; F35-V60 HydrophobicContact CE2-CB 4.13Å; F35-V60 HydrophobicContact CE2-CG1 4.03Å; F35-V60 HydrophobicContact CE2-CG2 4.25Å; F35-V60 HydrophobicContact CG-CG1 4.5Å; F35-V60 HydrophobicContact CG-CG2 4.05Å; F35-V60 HydrophobicContact CZ-CG1 4.21Å; L40-V60 HydrophobicContact CD1-CG1 3.78Å; Y53-V60 HydrophobicContact CD2-CG1 4.4Å; Y53-V60 HydrophobicContact CG-CG1 4.24Å; A55-V60 HydrophobicContact CB-CG2 4.17Å; V60-I127 WeakPolarHBondContact O-CA 3.35Å; V60-V128 HydrophobicContact CB-CG2 4.19Å; V60-V128 HydrophobicContact CG1-CG2 3.71Å; V60-V128 WeakPolarHBondContact O-CG2 3.32Å; V60-V128 PolarHBondContact O-N 3.1Å; V60-G129 PolarHBondContact N-O 3.02Å; V60-T131 HydrophobicContact CG2-CG2 4.12Å
61	F	97.3	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.5	176.9	-63.2	-82	0	0	0	111.1	Y53 M54 I56 V59 V63 F117 K122 P126 I127	Y53-F61 WeakPolarHBondContact CA-O 3.28Å; M54-F61 PolarHBondContact N-O 2.87Å; M54-F61 VanDerWaalsContact N-O 3.08Å; M54-F61 PolarHBondContact O-N 3.25Å; I56-F61 HydrophobicContact CB-CE2 4.17Å; I56-F61 HydrophobicContact CD1-CD2 4.35Å; I56-F61 HydrophobicContact CD1-CE2 4.35Å; I56-F61 HydrophobicContact CG1-CD2 4.43Å; I56-F61 HydrophobicContact CG1-CE2 4.44Å; V59-F61 HydrophobicContact CB-CE2 4.05Å; V59-F61 HydrophobicContact CB-CZ 4.23Å; V59-F61 HydrophobicContact CG1-CE1 4.32Å; V59-F61 HydrophobicContact CG1-CE2 4.07Å; V59-F61 HydrophobicContact CG1-CZ 3.89Å; F61-V63 HydrophobicContact CB-CG1 4.13Å; F61-V63 PolarHBondContact O-N 3.26Å; F61-F117 HydrophobicContact CE2-CD2 4.11Å; F61-F117 AromaticContact CE2-CE2 3.65Å; F61-F117 HydrophobicContact CE2-CE2 3.65Å; F61-F117 HydrophobicContact CZ-CD2 4.12Å; F61-F117 AromaticContact CZ-CE2 3.56Å; F61-F117 HydrophobicContact CZ-CE2 3.56Å; F61-F117 HydrophobicContact CZ-CZ 4.08Å; F61-K122 HydrophobicContact CE1-CG 3.98Å; F61-K122 HydrophobicContact CZ-CG 3.95Å; F61-P126 WeakPolarHBondContact CA-O 3.32Å; F61-I127 HydrophobicContact CD1-CG1 3.94Å; F61-I127 HydrophobicContact CE1-CD1 4.28Å; F61-I127 HydrophobicContact CE1-CG1 3.59Å; F61-I127 HydrophobicContact CZ-CG1 4.37Å
62	D	97.8	Very high	97.3	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.07	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	102.9	164.7	177.1	2.3	0	0	0	110.2	Y53 S64 Y125 P126 V128	Y53-D62 HydrophobicContact CD1-CB 3.99Å; Y53-D62 HydrophobicContact CE1-CB 3.76Å; D62-S64 VanDerWaalsContact C-N 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.49Å; D62-S64 PolarHBondContact OD1-N 3.25Å; D62-S64 PolarHBondContact OD1-OG 3.29Å; D62-Y125 WeakPolarHBondContact O-CD1 3.4Å; D62-P126 HydrophobicContact CB-CG 4.1Å; D62-P126 PolarHBondContact N-O 3.21Å; D62-V128 HydrophobicContact CB-CG1 3.7Å; D62-V128 HydrophobicContact CB-CG2 4.5Å
63	V	97.9	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.205	C	C	.	.			trans	-95.2	12.2	-178.9	-59.6	0	0	0	0	112.7	I52 M54 F61 K65 G66 Y70 V80 Y125	I52-V63 HydrophobicContact CB-CG2 4.08Å; I52-V63 HydrophobicContact CG2-CG2 3.78Å; I52-V63 VanDerWaalsContact O-CG2 3.29Å; I52-V63 WeakPolarHBondContact O-CG2 3.07Å; I52-V63 PolarHBondContact O-N 2.85Å; M54-V63 HydrophobicContact CB-CG1 4.1Å; M54-V63 HydrophobicContact CB-CG2 4.22Å; F61-V63 HydrophobicContact CB-CG1 4.13Å; F61-V63 PolarHBondContact O-N 3.26Å; V63-K65 PolarHBondContact O-N 3.26Å; V63-K65 VanDerWaalsContact O-N 3.1Å; V63-G66 PolarHBondContact O-N 2.85Å; V63-Y70 HydrophobicContact CB-CD2 3.66Å; V63-Y70 HydrophobicContact CB-CE2 3.84Å; V63-Y70 HydrophobicContact CB-CG 4.24Å; V63-Y70 HydrophobicContact CG1-CE2 4.3Å; V63-Y70 HydrophobicContact CG2-CD1 4.47Å; V63-Y70 HydrophobicContact CG2-CD2 3.8Å; V63-Y70 HydrophobicContact CG2-CE2 4.36Å; V63-Y70 HydrophobicContact CG2-CG 3.87Å; V63-V80 HydrophobicContact CG2-CG1 3.84Å; V63-Y125 HydrophobicContact CB-CD1 4.23Å; V63-Y125 HydrophobicContact CB-CE1 4.23Å; V63-Y125 HydrophobicContact CG1-CD1 4.13Å; V63-Y125 HydrophobicContact CG1-CD2 4.1Å; V63-Y125 HydrophobicContact CG1-CE1 4.39Å; V63-Y125 HydrophobicContact CG1-CE2 4.37Å; V63-Y125 HydrophobicContact CG1-CG 3.98Å
64	S	97.7	Very high	97.1	Very high	37 Å²	37	44.2 Å²	44.2	26%	0.259	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.2	-29.8	-178.6	-53.2	0	0	0	0	113.4	P51 I52 D62 G66 K67	P51-S64 VanDerWaalsContact CA-OG 3.24Å; P51-S64 WeakPolarHBondContact CA-OG 3.34Å; P51-S64 WeakPolarHBondContact CB-OG 3.47Å; I52-S64 PolarHBondContact N-OG 2.85Å; D62-S64 VanDerWaalsContact C-N 3.35Å; D62-S64 WeakPolarHBondContact OD1-CB 3.49Å; D62-S64 PolarHBondContact OD1-N 3.25Å; D62-S64 PolarHBondContact OD1-OG 3.29Å; S64-G66 PolarHBondContact O-N 3.12Å; S64-K67 PolarHBondContact O-N 2.82Å
65	K	96.3	Very high	97	Very high	162 Å²	162	48.6 Å²	48.6	70%	0.704	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-64	-17.6	174.8	-70.7	-172.8	-178.2	176.7	0	113.7	V63 Y125	V63-K65 PolarHBondContact O-N 3.26Å; V63-K65 VanDerWaalsContact O-N 3.1Å; K65-Y125 HydrophobicContact CB-CE1 4.48Å
66	G	95.9	Very high	97	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-108.9	36.8	175.4	0	0	0	0	0	112.6	V63 S64 E68 F69 Y70	V63-G66 PolarHBondContact O-N 2.85Å; S64-G66 PolarHBondContact O-N 3.12Å; G66-E68 WeakPolarHBondContact CA-OE2 3.46Å; G66-E68 PolarHBondContact O-N 2.89Å; G66-E68 VanDerWaalsContact O-N 3.12Å; G66-F69 WeakPolarHBondContact O-CA 3.36Å; G66-F69 WeakPolarHBondContact O-CB 3.4Å; G66-F69 PolarHBondContact O-N 3.09Å; G66-Y70 WeakPolarHBondContact O-CD2 3.43Å; G66-Y70 PolarHBondContact O-N 2.96Å
67	K	96.3	Very high	97	Very high	111 Å²	111	55.9 Å²	55.9	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-53.6	-30.4	-178	-177.3	175.3	-179.5	-178	0	112.8	I52 S64 F69 G71	I52-K67 HydrophobicContact CD1-CB 4.27Å; I52-K67 HydrophobicContact CD1-CG 4.08Å; S64-K67 PolarHBondContact O-N 2.82Å; K67-F69 PolarHBondContact O-N 3.08Å; K67-G71 VanDerWaalsContact O-CA 3.28Å; K67-G71 WeakPolarHBondContact O-CA 3.49Å; K67-G71 PolarHBondContact O-N 3.03Å
68	E	97	Very high	97.1	Very high	124 Å²	124	54.6 Å²	54.6	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-62.7	-21.4	174	70.2	-78.6	-171.9	0	0	114.1	G66 A74	G66-E68 WeakPolarHBondContact CA-OE2 3.46Å; G66-E68 PolarHBondContact O-N 2.89Å; G66-E68 VanDerWaalsContact O-N 3.12Å; E68-A74 WeakPolarHBondContact O-CB 3.49Å
69	F	97.3	Very high	97.2	Very high	88 Å²	88	55 Å²	55	39%	0.386	28%	0.279	S	S	.	.	H	α-helix	trans	-104.1	-37.2	177.6	-60.4	-65.8	0	0	0	112.8	G66 K67 A74 Y76	G66-F69 WeakPolarHBondContact O-CA 3.36Å; G66-F69 WeakPolarHBondContact O-CB 3.4Å; G66-F69 PolarHBondContact O-N 3.09Å; K67-F69 PolarHBondContact O-N 3.08Å; F69-A74 WeakPolarHBondContact O-CB 3.46Å; F69-Y76 HydrophobicContact CB-CD2 3.92Å; F69-Y76 HydrophobicContact CD1-CD2 4.34Å; F69-Y76 HydrophobicContact CD1-CE2 4.25Å; F69-Y76 HydrophobicContact CG-CD2 4.44Å; F69-Y76 CarbonylContact O-C 3.44Å; F69-Y76 WeakPolarHBondContact O-CA 3.43Å; F69-Y76 WeakPolarHBondContact O-CB 3.49Å; F69-Y76 PolarHBondContact O-N 3.42Å
70	Y	97.9	Very high	97.3	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-111.1	-15.5	-168.9	-57.8	-66	0	0	0	114.7	M54 V63 G66 Y76 N77 V80 Y125	M54-Y70 HydrophobicContact SD-CE1 4.29Å; V63-Y70 HydrophobicContact CB-CD2 3.66Å; V63-Y70 HydrophobicContact CB-CE2 3.84Å; V63-Y70 HydrophobicContact CB-CG 4.24Å; V63-Y70 HydrophobicContact CG1-CE2 4.3Å; V63-Y70 HydrophobicContact CG2-CD1 4.47Å; V63-Y70 HydrophobicContact CG2-CD2 3.8Å; V63-Y70 HydrophobicContact CG2-CE2 4.36Å; V63-Y70 HydrophobicContact CG2-CG 3.87Å; G66-Y70 WeakPolarHBondContact O-CD2 3.43Å; G66-Y70 PolarHBondContact O-N 2.96Å; Y70-Y76 HydrophobicContact CE1-CD2 4.43Å; Y70-N77 PolarHBondContact O-ND2 3.28Å; Y70-V80 HydrophobicContact CD1-CG1 3.79Å; Y70-V80 HydrophobicContact CG-CG1 4.01Å; Y70-Y125 AromaticContact CE2-CZ 3.97Å
71	G	97.4	Very high	97.4	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.021	28%	0.28	C	S	.	.	S	Bend	trans	-64.7	168.2	178.7	0	0	0	0	0	112.1	K67 D73 A74 N77	K67-G71 VanDerWaalsContact O-CA 3.28Å; K67-G71 WeakPolarHBondContact O-CA 3.49Å; K67-G71 PolarHBondContact O-N 3.03Å; G71-D73 PolarHBondContact O-N 2.86Å; G71-A74 WeakPolarHBondContact O-CB 3.35Å; G71-A74 PolarHBondContact O-N 2.92Å; G71-N77 WeakPolarHBondContact O-CB 3.31Å; G71-N77 PolarHBondContact O-ND2 2.96Å
72	K	96.7	Very high	97.4	Very high	131 Å²	131	57.9 Å²	57.9	57%	0.57	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	133.1	175.7	-169.8	178.1	178.5	172.7	0	111.9	G45 A74	G45-K72 WeakPolarHBondContact O-CB 3.24Å; G45-K72 PolarHBondContact O-N 3.01Å; K72-A74 PolarHBondContact O-N 3.22Å; K72-A74 VanDerWaalsContact O-N 3.14Å
73	D	95.9	Very high	97.5	Very high	148 Å²	148	58.2 Å²	58.2	79%	0.791	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	3.6	-179.6	-49.8	-45	0	0	0	115.8	G71	G71-D73 PolarHBondContact O-N 2.86Å
74	A	97	Very high	97.5	Very high	23 Å²	23	58.2 Å²	58.2	19%	0.19	29%	0.294	C	S	.	.	S	Bend	trans	-80.3	159.2	174.9	0	0	0	0	0	112.7	E68 F69 G71 K72 Y76 N77	E68-A74 WeakPolarHBondContact O-CB 3.49Å; F69-A74 WeakPolarHBondContact O-CB 3.46Å; G71-A74 WeakPolarHBondContact O-CB 3.35Å; G71-A74 PolarHBondContact O-N 2.92Å; K72-A74 PolarHBondContact O-N 3.22Å; K72-A74 VanDerWaalsContact O-N 3.14Å; A74-Y76 PolarHBondContact O-N 3.43Å; A74-N77 VanDerWaalsContact O-CB 3.29Å; A74-N77 WeakPolarHBondContact O-CB 3.35Å; A74-N77 PolarHBondContact O-N 3.25Å
75	S	97.7	Very high	97.5	Very high	92 Å²	92	56.7 Å²	56.7	64%	0.643	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.7	-170.4	-54.4	0	0	0	0	115.1	L93	S75-L93 VanDerWaalsContact O-CD1 3.31Å; S75-L93 WeakPolarHBondContact O-CD1 3.31Å
76	Y	97.6	Very high	97.6	Very high	108 Å²	108	51 Å²	51	42%	0.424	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	15.5	-178.7	-55.1	-39.6	0	0	0	112.9	F69 Y70 A74 A78 L79 L93	F69-Y76 HydrophobicContact CB-CD2 3.92Å; F69-Y76 HydrophobicContact CD1-CD2 4.34Å; F69-Y76 HydrophobicContact CD1-CE2 4.25Å; F69-Y76 HydrophobicContact CG-CD2 4.44Å; F69-Y76 CarbonylContact O-C 3.44Å; F69-Y76 WeakPolarHBondContact O-CA 3.43Å; F69-Y76 WeakPolarHBondContact O-CB 3.49Å; F69-Y76 PolarHBondContact O-N 3.42Å; Y70-Y76 HydrophobicContact CE1-CD2 4.43Å; A74-Y76 PolarHBondContact O-N 3.43Å; Y76-A78 PolarHBondContact O-N 3.28Å; Y76-L79 HydrophobicContact CG-CD1 4.49Å; Y76-L79 WeakPolarHBondContact O-CB 3.17Å; Y76-L79 PolarHBondContact O-N 3.21Å; Y76-L79 VanDerWaalsContact O-N 3.09Å; Y76-L93 HydrophobicContact CD1-CD1 4.09Å; Y76-L93 HydrophobicContact CD1-CD2 4.26Å; Y76-L93 HydrophobicContact CE1-CD1 4.44Å
77	N	98.1	Very high	97.8	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.241	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32.7	177.9	-178.3	-115.1	0	0	0	112.9	D44 Y70 G71 A74 L79 V80	D44-N77 PolarHBondContact O-ND2 3.22Å; Y70-N77 PolarHBondContact O-ND2 3.28Å; G71-N77 WeakPolarHBondContact O-CB 3.31Å; G71-N77 PolarHBondContact O-ND2 2.96Å; A74-N77 VanDerWaalsContact O-CB 3.29Å; A74-N77 WeakPolarHBondContact O-CB 3.35Å; A74-N77 PolarHBondContact O-N 3.25Å; N77-L79 PolarHBondContact O-N 2.83Å; N77-V80 WeakPolarHBondContact O-CG2 3.34Å; N77-V80 PolarHBondContact O-N 3.1Å; N77-V80 VanDerWaalsContact O-N 3.16Å
78	A	98.1	Very high	97.8	Very high	44 Å²	44	46.3 Å²	46.3	36%	0.364	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-59.7	-19.6	177.7	0	0	0	0	0	114.2	Y76 L98	Y76-A78 PolarHBondContact O-N 3.28Å; A78-L98 HydrophobicContact CB-CD1 4.09Å
79	L	98.4	Very high	97.9	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-83	-18.3	-178	-63.2	-177.7	0	0	0	113.9	M54 Y76 N77 S84 A87 L93 L98	M54-L79 HydrophobicContact CE-CB 3.79Å; M54-L79 HydrophobicContact CE-CD1 3.97Å; M54-L79 HydrophobicContact CE-CG 4.35Å; M54-L79 WeakPolarHBondContact CG-O 3.37Å; M54-L79 HydrophobicContact SD-CB 3.93Å; Y76-L79 HydrophobicContact CG-CD1 4.49Å; Y76-L79 WeakPolarHBondContact O-CB 3.17Å; Y76-L79 PolarHBondContact O-N 3.21Å; Y76-L79 VanDerWaalsContact O-N 3.09Å; N77-L79 PolarHBondContact O-N 2.83Å; L79-S84 WeakPolarHBondContact CA-OG 3.25Å; L79-S84 PolarHBondContact O-OG 2.98Å; L79-A87 HydrophobicContact CD2-CB 3.66Å; L79-L93 HydrophobicContact CD1-CD2 4.02Å; L79-L93 HydrophobicContact CD2-CD2 3.67Å; L79-L93 HydrophobicContact CG-CD2 3.64Å; L79-L98 HydrophobicContact CD2-CD2 3.77Å
80	V	98.6	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.207	C	C	.	.	S	Bend	trans	-94.9	166.9	-171.6	-58.7	0	0	0	0	112.6	D44 I52 Y53 M54 V63 Y70 N77 K82	D44-V80 WeakPolarHBondContact O-CG2 3.41Å; I52-V80 HydrophobicContact CG2-CB 3.7Å; I52-V80 HydrophobicContact CG2-CG1 3.71Å; I52-V80 HydrophobicContact CG2-CG2 3.71Å; Y53-V80 WeakPolarHBondContact O-CA 3.29Å; Y53-V80 WeakPolarHBondContact O-CB 3.29Å; M54-V80 HydrophobicContact CB-CG1 4.16Å; V63-V80 HydrophobicContact CG2-CG1 3.84Å; Y70-V80 HydrophobicContact CD1-CG1 3.79Å; Y70-V80 HydrophobicContact CG-CG1 4.01Å; N77-V80 WeakPolarHBondContact O-CG2 3.34Å; N77-V80 PolarHBondContact O-N 3.1Å; N77-V80 VanDerWaalsContact O-N 3.16Å; V80-K82 PolarHBondContact O-N 3.12Å
81	G	98.4	Very high	97.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	24%	0.24	C	C	.	.	S	Bend	trans	68.1	15.8	-173.4	0	0	0	0	0	114.1	L40 Q41 Y53	L40-G81 CarbonylContact C-O 3.58Å; L40-G81 VanDerWaalsContact O-CA 3.23Å; L40-G81 WeakPolarHBondContact O-CA 3.33Å; Q41-G81 WeakPolarHBondContact CA-O 3.23Å; Q41-G81 WeakPolarHBondContact CG-O 3.42Å; Q41-G81 PolarHBondContact N-O 3.38Å; Y53-G81 PolarHBondContact O-N 2.93Å
82	K	98.3	Very high	97.9	Very high	57 Å²	57	46.8 Å²	46.8	25%	0.248	24%	0.243	C	C	.	.	S	Bend	trans	-158.5	174.2	-177.4	65.9	-167.1	66.7	-105.2	0	111.9	A55 V80 S84 L98	A55-K82 PolarHBondContact N-O 2.92Å; V80-K82 PolarHBondContact O-N 3.12Å; K82-S84 WeakPolarHBondContact CG-OG 3.27Å; K82-L98 HydrophobicContact CD-CB 3.98Å
83	D	98.5	Very high	97.9	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.112	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-87.8	112.7	167	-167.3	-35.3	0	0	0	110	A55 G58 T85 T99 S100 T131	A55-D83 HydrophobicContact CB-CB 3.72Å; A55-D83 WeakPolarHBondContact O-CA 3.31Å; G58-D83 VanDerWaalsContact CA-OD2 3.31Å; G58-D83 WeakPolarHBondContact CA-OD2 3.19Å; G58-D83 PolarHBondContact N-OD2 2.84Å; G58-D83 VanDerWaalsContact N-OD2 3.12Å; D83-T85 WeakPolarHBondContact OD1-CB 3.27Å; D83-T85 PolarHBondContact OD1-N 3.04Å; D83-T85 PolarHBondContact OD1-OG1 3.37Å; D83-T99 CarbonylContact O-C 3.59Å; D83-T99 WeakPolarHBondContact O-CA 3.35Å; D83-S100 VanDerWaalsContact CG-CB 3.47Å; D83-S100 PolarHBondContact O-N 3.28Å; D83-T131 HydrophobicContact CB-CG2 4.45Å
84	S	98.4	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.			trans	-108.5	27.4	-174.2	-74.6	0	0	0	0	111.6	A55 L79 K82 R86 A87 V88	A55-S84 PolarHBondContact O-N 3.07Å; L79-S84 WeakPolarHBondContact CA-OG 3.25Å; L79-S84 PolarHBondContact O-OG 2.98Å; K82-S84 WeakPolarHBondContact CG-OG 3.27Å; S84-R86 VanDerWaalsContact C-N 3.3Å; S84-R86 PolarHBondContact O-N 2.87Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 2.96Å; S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 3.44Å
85	T	98.4	Very high	98	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-49.5	-49.7	-179.8	-63	0	0	0	0	112.4	K57 D83 V88 A89 T99 T102 L113	K57-T85 WeakPolarHBondContact CA-OG1 3.38Å; K57-T85 HydrophobicContact CG-CG2 4.21Å; K57-T85 PolarHBondContact N-OG1 2.96Å; D83-T85 WeakPolarHBondContact OD1-CB 3.27Å; D83-T85 PolarHBondContact OD1-N 3.04Å; D83-T85 PolarHBondContact OD1-OG1 3.37Å; T85-V88 PolarHBondContact O-N 2.7Å; T85-A89 WeakPolarHBondContact O-CB 3.42Å; T85-A89 PolarHBondContact O-N 3.28Å; T85-T99 PolarHBondContact N-O 3.29Å; T85-T102 HydrophobicContact CG2-CG2 3.66Å; T85-L113 HydrophobicContact CG2-CD1 4.08Å; T85-L113 HydrophobicContact CG2-CD2 3.55Å; T85-L113 HydrophobicContact CG2-CG 4.47Å
86	R	98.5	Very high	98	Very high	44 Å²	44	45.8 Å²	45.8	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-43.2	-177.8	-175.6	-176.4	179.1	83	-2.7	112	S84 V88 A89 K90 D97 T99 D101 T103 L105	S84-R86 VanDerWaalsContact C-N 3.3Å; S84-R86 PolarHBondContact O-N 2.87Å; R86-V88 VanDerWaalsContact C-N 3.29Å; R86-V88 PolarHBondContact O-N 3.21Å; R86-A89 WeakPolarHBondContact O-CB 3.5Å; R86-A89 PolarHBondContact O-N 2.86Å; R86-K90 HydrophobicContact CG-CD 4.07Å; R86-K90 WeakPolarHBondContact O-CB 3.4Å; R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 2.51Å; R86-D97 WeakPolarHBondContact CB-O 3.39Å; R86-D97 HydrophobicContact CG-CB 4.41Å; R86-D97 IonicContact CZ-OD1 2.97Å; R86-D97 IonicContact NE-OD1 2.63Å; R86-D97 PolarHBondContact NE-OD1 3.3Å; R86-T99 HydrophobicContact CB-CG2 4.01Å; R86-T99 VanDerWaalsContact CB-O 3.25Å; R86-T99 WeakPolarHBondContact CB-O 3.22Å; R86-T99 HydrophobicContact CG-CG2 4.44Å; R86-T99 PolarHBondContact N-O 2.79Å; R86-D101 WeakPolarHBondContact CB-O 3.47Å; R86-D101 WeakPolarHBondContact CD-O 3.49Å; R86-D101 PolarHBondContact NH1-O 2.86Å; R86-T103 PolarHBondContact NH1-O 2.93Å; R86-L105 HydrophobicContact CG-CD2 4.14Å
87	A	98.5	Very high	98	Very high	2 Å²	2	41 Å²	41	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-43.1	176.4	0	0	0	0	0	111.6	L79 S84 K90 M91 S92 D97 L98	L79-A87 HydrophobicContact CD2-CB 3.66Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 2.96Å; A87-K90 PolarHBondContact O-N 2.84Å; A87-M91 WeakPolarHBondContact O-CA 3.22Å; A87-M91 PolarHBondContact O-N 2.69Å; A87-S92 VanDerWaalsContact CB-O 3.27Å; A87-S92 WeakPolarHBondContact CB-O 3.47Å; A87-S92 PolarHBondContact O-N 3.18Å; A87-D97 WeakPolarHBondContact CB-O 3.27Å; A87-D97 PolarHBondContact N-O 3.15Å; A87-L98 HydrophobicContact CB-CD2 4Å
88	V	98.3	Very high	98	Very high	10 Å²	10	40.7 Å²	40.7	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-46	175.8	174.5	0	0	0	0	111.3	M54 I56 S84 T85 R86 K90 M91 L113 V116 Y121	M54-V88 HydrophobicContact CE-CG2 3.56Å; I56-V88 HydrophobicContact CD1-CG2 4.02Å; I56-V88 HydrophobicContact CG1-CG2 4.25Å; I56-V88 HydrophobicContact CG2-CB 4.45Å; I56-V88 HydrophobicContact CG2-CG1 4.46Å; I56-V88 HydrophobicContact CG2-CG2 4.45Å; S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 3.44Å; T85-V88 PolarHBondContact O-N 2.7Å; R86-V88 VanDerWaalsContact C-N 3.29Å; R86-V88 PolarHBondContact O-N 3.21Å; V88-K90 PolarHBondContact O-N 2.88Å; V88-M91 PolarHBondContact O-N 3.1Å; V88-L113 HydrophobicContact CB-CD1 4.13Å; V88-L113 HydrophobicContact CG1-CD1 3.9Å; V88-V116 HydrophobicContact CG1-CB 4.04Å; V88-V116 HydrophobicContact CG1-CG1 3.6Å; V88-Y121 HydrophobicContact CG1-CE2 4.32Å; V88-Y121 HydrophobicContact CG2-CE2 4.34Å
89	A	98.1	Very high	97.9	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-35.3	177.9	0	0	0	0	0	113	T85 R86 L105 Q109 L113	T85-A89 WeakPolarHBondContact O-CB 3.42Å; T85-A89 PolarHBondContact O-N 3.28Å; R86-A89 WeakPolarHBondContact O-CB 3.5Å; R86-A89 PolarHBondContact O-N 2.86Å; A89-L105 HydrophobicContact CB-CD1 3.61Å; A89-L105 HydrophobicContact CB-CD2 4.2Å; A89-Q109 HydrophobicContact CB-CB 4.43Å; A89-L113 HydrophobicContact CB-CB 3.79Å; A89-L113 HydrophobicContact CB-CD1 4.44Å; A89-L113 HydrophobicContact CB-CD2 4.3Å; A89-L113 HydrophobicContact CB-CG 4.4Å
90	K	98.1	Very high	97.9	Very high	71 Å²	71	43.1 Å²	43.1	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-95.5	-4.6	-178.4	-67.1	-175.8	64.3	-173.7	0	114.2	R86 A87 V88 S92 D97 L105	R86-K90 HydrophobicContact CG-CD 4.07Å; R86-K90 WeakPolarHBondContact O-CB 3.4Å; R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 2.51Å; A87-K90 PolarHBondContact O-N 2.84Å; V88-K90 PolarHBondContact O-N 2.88Å; K90-S92 VanDerWaalsContact C-N 3.26Å; K90-S92 PolarHBondContact O-N 3.37Å; K90-D97 WeakPolarHBondContact CD-OD1 3.41Å; K90-D97 WeakPolarHBondContact CE-OD1 3.25Å; K90-D97 WeakPolarHBondContact CE-OD2 3.22Å; K90-D97 IonicContact NZ-OD1 3.03Å; K90-D97 PolarHBondContact NZ-OD1 2.6Å; K90-D97 IonicContact NZ-OD2 3.61Å; K90-D97 PolarHBondContact NZ-OD2 2.87Å; K90-L105 HydrophobicContact CD-CD2 3.94Å; K90-L105 HydrophobicContact CG-CD2 3.67Å
91	M	96.8	Very high	97.8	Very high	149 Å²	149	46.7 Å²	46.7	73%	0.734	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	47	-168.5	-54.9	-173.9	-177	0	0	112.4	A87 V88 S112	A87-M91 WeakPolarHBondContact O-CA 3.22Å; A87-M91 PolarHBondContact O-N 2.69Å; V88-M91 PolarHBondContact O-N 3.1Å; M91-S112 VanDerWaalsContact CE-OG 3.28Å; M91-S112 WeakPolarHBondContact CE-OG 3.46Å
92	S	97.4	Very high	97.7	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	28%	0.282	C	S	.	.			trans	-124.1	140	-167.5	179.7	0	0	0	0	111.6	A87 K90 N94 D97	A87-S92 VanDerWaalsContact CB-O 3.27Å; A87-S92 WeakPolarHBondContact CB-O 3.47Å; A87-S92 PolarHBondContact O-N 3.18Å; K90-S92 VanDerWaalsContact C-N 3.26Å; K90-S92 PolarHBondContact O-N 3.37Å; S92-N94 WeakPolarHBondContact OG-CB 3.43Å; S92-N94 PolarHBondContact OG-N 2.9Å; S92-N94 PolarHBondContact OG-ND2 2.95Å; S92-N94 VanDerWaalsContact OG-ND2 3.1Å; S92-D97 VanDerWaalsContact CB-OD2 3.31Å; S92-D97 WeakPolarHBondContact CB-OD2 3.3Å; S92-D97 PolarHBondContact OG-OD2 2.95Å
93	L	97.6	Very high	97.6	Very high	76 Å²	76	51.9 Å²	51.9	40%	0.398	30%	0.3	S	S	.	.			trans	-106.4	10.8	168.4	-61.6	177	0	0	0	112	S75 Y76 L79	S75-L93 VanDerWaalsContact O-CD1 3.31Å; S75-L93 WeakPolarHBondContact O-CD1 3.31Å; Y76-L93 HydrophobicContact CD1-CD1 4.09Å; Y76-L93 HydrophobicContact CD1-CD2 4.26Å; Y76-L93 HydrophobicContact CE1-CD1 4.44Å; L79-L93 HydrophobicContact CD1-CD2 4.02Å; L79-L93 HydrophobicContact CD2-CD2 3.67Å; L79-L93 HydrophobicContact CG-CD2 3.64Å
94	N	97.8	Very high	97.5	Very high	101 Å²	101	54.2 Å²	54.2	54%	0.54	33%	0.329	S	S	.	.			trans	-63.7	133.8	177.3	-68.2	-41.6	0	0	0	109.7	S92 A96 D97	S92-N94 WeakPolarHBondContact OG-CB 3.43Å; S92-N94 PolarHBondContact OG-N 2.9Å; S92-N94 PolarHBondContact OG-ND2 2.95Å; S92-N94 VanDerWaalsContact OG-ND2 3.1Å; N94-A96 PolarHBondContact O-N 3.06Å; N94-D97 PolarHBondContact O-N 3.31Å
95	P	97.1	Very high	97.4	Very high	111 Å²	111	55.1 Å²	55.1	72%	0.721	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-53.8	-34.3	-178.4	-30.2	36	0	0	0	114.4	D97 L98	P95-D97 PolarHBondContact O-N 2.92Å; P95-L98 PolarHBondContact O-N 3.26Å
96	A	97.1	Very high	97.4	Very high	85 Å²	85	57.9 Å²	57.9	70%	0.702	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.6	177.4	0	0	0	0	0	114.1	N94	N94-A96 PolarHBondContact O-N 3.06Å
97	D	97.8	Very high	97.4	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.037	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-96.6	-6	178	-65.7	-39.4	0	0	0	112.9	R86 A87 K90 S92 N94 P95 T99	R86-D97 WeakPolarHBondContact CB-O 3.39Å; R86-D97 HydrophobicContact CG-CB 4.41Å; R86-D97 IonicContact CZ-OD1 2.97Å; R86-D97 IonicContact NE-OD1 2.63Å; R86-D97 PolarHBondContact NE-OD1 3.3Å; A87-D97 WeakPolarHBondContact CB-O 3.27Å; A87-D97 PolarHBondContact N-O 3.15Å; K90-D97 WeakPolarHBondContact CD-OD1 3.41Å; K90-D97 WeakPolarHBondContact CE-OD1 3.25Å; K90-D97 WeakPolarHBondContact CE-OD2 3.22Å; K90-D97 IonicContact NZ-OD1 3.03Å; K90-D97 PolarHBondContact NZ-OD1 2.6Å; K90-D97 IonicContact NZ-OD2 3.61Å; K90-D97 PolarHBondContact NZ-OD2 2.87Å; S92-D97 VanDerWaalsContact CB-OD2 3.31Å; S92-D97 WeakPolarHBondContact CB-OD2 3.3Å; S92-D97 PolarHBondContact OG-OD2 2.95Å; N94-D97 PolarHBondContact O-N 3.31Å; P95-D97 PolarHBondContact O-N 2.92Å; D97-T99 PolarHBondContact O-N 2.89Å
98	L	97.7	Very high	97.3	Very high	38 Å²	38	67.4 Å²	67.4	20%	0.199	40%	0.397	C	S	.	.			trans	-79	62.6	-179.4	-59.1	179.6	0	0	0	111.6	A78 L79 K82 A87 P95	A78-L98 HydrophobicContact CB-CD1 4.09Å; L79-L98 HydrophobicContact CD2-CD2 3.77Å; K82-L98 HydrophobicContact CD-CB 3.98Å; A87-L98 HydrophobicContact CB-CD2 4Å; P95-L98 PolarHBondContact O-N 3.26Å
99	T	97.5	Very high	97.3	Very high	49 Å²	49	69.4 Å²	69.4	30%	0.301	41%	0.405	S	S	.	.	S	Bend	trans	-148.1	161.5	-175.1	-179.9	0	0	0	0	112	D83 T85 R86 D97 D101	D83-T99 CarbonylContact O-C 3.59Å; D83-T99 WeakPolarHBondContact O-CA 3.35Å; T85-T99 PolarHBondContact N-O 3.29Å; R86-T99 HydrophobicContact CB-CG2 4.01Å; R86-T99 VanDerWaalsContact CB-O 3.25Å; R86-T99 WeakPolarHBondContact CB-O 3.22Å; R86-T99 HydrophobicContact CG-CG2 4.44Å; R86-T99 PolarHBondContact N-O 2.79Å; D97-T99 PolarHBondContact O-N 2.89Å; T99-D101 VanDerWaalsContact C-N 3.28Å; T99-D101 HydrophobicContact CG2-CB 4.08Å; T99-D101 PolarHBondContact OG1-N 2.81Å
100	S	96.8	Very high	97.3	Very high	60 Å²	60	72 Å²	72	42%	0.42	42%	0.419	S	S	.	.	S	Bend	trans	-74.4	-16.1	171.2	58.4	0	0	0	0	113.5	D83 T102	D83-S100 VanDerWaalsContact CG-CB 3.47Å; D83-S100 PolarHBondContact O-N 3.28Å; S100-T102 PolarHBondContact O-N 2.89Å
101	D	96.5	Very high	97.3	Very high	77 Å²	77	73.9 Å²	73.9	41%	0.412	43%	0.429	S	S	.	.			trans	-68.8	115.4	-171.2	-177.3	21.8	0	0	0	113.3	R86 T99 T103	R86-D101 WeakPolarHBondContact CB-O 3.47Å; R86-D101 WeakPolarHBondContact CD-O 3.49Å; R86-D101 PolarHBondContact NH1-O 2.86Å; T99-D101 VanDerWaalsContact C-N 3.28Å; T99-D101 HydrophobicContact CG2-CB 4.08Å; T99-D101 PolarHBondContact OG1-N 2.81Å; D101-T103 WeakPolarHBondContact OD1-CB 3.4Å; D101-T103 PolarHBondContact OD1-N 3.48Å; D101-T103 PolarHBondContact OD1-OG1 3.35Å
102	T	96.2	Very high	97.2	Very high	66 Å²	66	68.1 Å²	68.1	41%	0.405	40%	0.403	S	S	.	.			trans	-91.8	2.4	177.6	56.5	0	0	0	0	113.5	T85 S100 G104 L105	T85-T102 HydrophobicContact CG2-CG2 3.66Å; S100-T102 PolarHBondContact O-N 2.89Å; T102-G104 PolarHBondContact O-N 3.3Å; T102-L105 HydrophobicContact CG2-CD1 3.94Å; T102-L105 WeakPolarHBondContact O-CB 3.41Å; T102-L105 WeakPolarHBondContact O-CG 3.15Å; T102-L105 PolarHBondContact O-N 3.25Å
103	T	96.6	Very high	97.2	Very high	102 Å²	102	67.7 Å²	67.7	63%	0.626	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	131.4	179.7	-54.6	0	0	0	0	110.8	R86 D101 L105	R86-T103 PolarHBondContact NH1-O 2.93Å; D101-T103 WeakPolarHBondContact OD1-CB 3.4Å; D101-T103 PolarHBondContact OD1-N 3.48Å; D101-T103 PolarHBondContact OD1-OG1 3.35Å; T103-L105 VanDerWaalsContact C-N 3.25Å; T103-L105 PolarHBondContact O-N 3.16Å
104	G	96.6	Very high	97.1	Very high	69 Å²	69	67.6 Å²	67.6	71%	0.711	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	13	179	0	0	0	0	0	115.1	T102	T102-G104 PolarHBondContact O-N 3.3Å
105	L	96.8	Very high	97.1	Very high	20 Å²	20	66.8 Å²	66.8	11%	0.105	40%	0.402	C	S	.	.			trans	-70.3	142.6	165.7	-68.3	179.7	0	0	0	110.5	R86 A89 K90 T102 T103 Q109 L110	R86-L105 HydrophobicContact CG-CD2 4.14Å; A89-L105 HydrophobicContact CB-CD1 3.61Å; A89-L105 HydrophobicContact CB-CD2 4.2Å; K90-L105 HydrophobicContact CD-CD2 3.94Å; K90-L105 HydrophobicContact CG-CD2 3.67Å; T102-L105 HydrophobicContact CG2-CD1 3.94Å; T102-L105 WeakPolarHBondContact O-CB 3.41Å; T102-L105 WeakPolarHBondContact O-CG 3.15Å; T102-L105 PolarHBondContact O-N 3.25Å; T103-L105 VanDerWaalsContact C-N 3.25Å; T103-L105 PolarHBondContact O-N 3.16Å; L105-Q109 VanDerWaalsContact CA-OE1 3.31Å; L105-Q109 HydrophobicContact CB-CB 4.26Å; L105-Q109 HydrophobicContact CD2-CB 4.22Å; L105-Q109 VanDerWaalsContact CD2-OE1 3.29Å; L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.18Å; L105-L110 HydrophobicContact CD1-CD2 3.96Å
106	T	98.4	Very high	97	Very high	62 Å²	62	63.1 Å²	63.1	38%	0.38	38%	0.377	S	S	.	.			trans	-76.7	163.4	173.5	79	0	0	0	0	110.9	E108 Q109 L110	T106-E108 WeakPolarHBondContact CB-OE2 3.38Å; T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 PolarHBondContact OG1-N 3.23Å; T106-E108 PolarHBondContact OG1-OE2 2.74Å; T106-Q109 WeakPolarHBondContact O-CB 3.39Å; T106-Q109 PolarHBondContact O-N 2.72Å; T106-Q109 VanDerWaalsContact O-N 3.11Å; T106-Q109 PolarHBondContact OG1-N 3Å; T106-L110 WeakPolarHBondContact O-CG 3.36Å; T106-L110 PolarHBondContact O-N 3.03Å
107	E	97.7	Very high	97	Very high	116 Å²	116	59.5 Å²	59.5	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-39.5	176.3	-177.5	57.5	-149.3	0	0	111.4	Q109 L110 Q111	E107-Q109 VanDerWaalsContact C-N 3.32Å; E107-Q109 PolarHBondContact O-N 3.4Å; E107-L110 PolarHBondContact O-N 2.97Å; E107-Q111 VanDerWaalsContact O-CG 3.32Å; E107-Q111 WeakPolarHBondContact O-CG 3.5Å; E107-Q111 PolarHBondContact O-N 2.95Å; E107-Q111 PolarHBondContact OE1-NE2 3.46Å; E107-Q111 VanDerWaalsContact OE1-NE2 3.11Å
108	E	97.7	Very high	96.8	Very high	130 Å²	130	63.7 Å²	63.7	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-64.5	-36.9	177.1	-56.1	77.4	-167.4	0	0	112	T106 Q111 S112	T106-E108 WeakPolarHBondContact CB-OE2 3.38Å; T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 PolarHBondContact OG1-N 3.23Å; T106-E108 PolarHBondContact OG1-OE2 2.74Å; E108-Q111 PolarHBondContact O-N 3.41Å; E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 3.17Å
109	Q	98.1	Very high	96.6	Very high	51 Å²	51	64.5 Å²	64.5	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-69.1	-37.3	176.2	-70.8	170.4	-20.7	0	0	111.6	A89 L105 T106 E107 S112 L113	A89-Q109 HydrophobicContact CB-CB 4.43Å; L105-Q109 VanDerWaalsContact CA-OE1 3.31Å; L105-Q109 HydrophobicContact CB-CB 4.26Å; L105-Q109 HydrophobicContact CD2-CB 4.22Å; L105-Q109 VanDerWaalsContact CD2-OE1 3.29Å; T106-Q109 WeakPolarHBondContact O-CB 3.39Å; T106-Q109 PolarHBondContact O-N 2.72Å; T106-Q109 VanDerWaalsContact O-N 3.11Å; T106-Q109 PolarHBondContact OG1-N 3Å; E107-Q109 VanDerWaalsContact C-N 3.32Å; E107-Q109 PolarHBondContact O-N 3.4Å; Q109-S112 PolarHBondContact O-N 3.17Å; Q109-L113 WeakPolarHBondContact O-CB 3.45Å; Q109-L113 PolarHBondContact O-N 3.42Å
110	L	97.8	Very high	96.4	Very high	58 Å²	58	64.6 Å²	64.6	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-67.7	-41.4	174.5	-66.8	172.1	0	0	0	111.6	L105 T106 E107 S112 L113 D114	L105-L110 HydrophobicContact CB-CD2 4.12Å; L105-L110 HydrophobicContact CB-CG 4.18Å; L105-L110 HydrophobicContact CD1-CD2 3.96Å; T106-L110 WeakPolarHBondContact O-CG 3.36Å; T106-L110 PolarHBondContact O-N 3.03Å; E107-L110 PolarHBondContact O-N 2.97Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-L113 WeakPolarHBondContact O-CB 3.46Å; L110-L113 PolarHBondContact O-N 3.27Å; L110-D114 PolarHBondContact O-N 2.89Å
111	Q	96.6	Very high	96.3	Very high	111 Å²	111	62.5 Å²	62.5	52%	0.519	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-40.8	173.6	-71.6	174	10	0	0	111.9	E107 E108 D114 S115	E107-Q111 VanDerWaalsContact O-CG 3.32Å; E107-Q111 WeakPolarHBondContact O-CG 3.5Å; E107-Q111 PolarHBondContact O-N 2.95Å; E107-Q111 PolarHBondContact OE1-NE2 3.46Å; E107-Q111 VanDerWaalsContact OE1-NE2 3.11Å; E108-Q111 PolarHBondContact O-N 3.41Å; Q111-D114 PolarHBondContact O-N 2.93Å; Q111-S115 WeakPolarHBondContact O-CB 3.47Å; Q111-S115 PolarHBondContact O-N 2.77Å
112	S	95.8	Very high	96.1	Very high	28 Å²	28	61.3 Å²	61.3	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-45.6	173.9	-176.4	0	0	0	0	111.4	M91 E108 Q109 L110 D114 S115 V116	M91-S112 VanDerWaalsContact CE-OG 3.28Å; M91-S112 WeakPolarHBondContact CE-OG 3.46Å; E108-S112 WeakPolarHBondContact O-CB 3.49Å; E108-S112 PolarHBondContact O-N 3.17Å; Q109-S112 PolarHBondContact O-N 3.17Å; L110-S112 VanDerWaalsContact C-N 3.35Å; S112-D114 VanDerWaalsContact C-N 3.35Å; S112-D114 PolarHBondContact O-N 3.4Å; S112-S115 PolarHBondContact O-N 2.91Å; S112-V116 WeakPolarHBondContact O-CB 3.37Å; S112-V116 VanDerWaalsContact O-CG2 3.27Å; S112-V116 WeakPolarHBondContact O-CG2 3.1Å; S112-V116 PolarHBondContact O-N 3.21Å
113	L	97.4	Very high	95.9	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	37%	0.368	C	S	.	.	H	α-helix	trans	-55.5	-49.2	174.8	173.9	62.2	0	0	0	111.5	I56 K57 T85 V88 A89 Q109 L110 V116 F117	I56-L113 HydrophobicContact CG2-CD1 3.74Å; K57-L113 HydrophobicContact CD-CD2 4.26Å; K57-L113 HydrophobicContact CD-CG 4.18Å; K57-L113 HydrophobicContact CG-CD1 4.28Å; K57-L113 HydrophobicContact CG-CD2 4.01Å; K57-L113 HydrophobicContact CG-CG 4.22Å; T85-L113 HydrophobicContact CG2-CD1 4.08Å; T85-L113 HydrophobicContact CG2-CD2 3.55Å; T85-L113 HydrophobicContact CG2-CG 4.47Å; V88-L113 HydrophobicContact CB-CD1 4.13Å; V88-L113 HydrophobicContact CG1-CD1 3.9Å; A89-L113 HydrophobicContact CB-CB 3.79Å; A89-L113 HydrophobicContact CB-CD1 4.44Å; A89-L113 HydrophobicContact CB-CD2 4.3Å; A89-L113 HydrophobicContact CB-CG 4.4Å; Q109-L113 WeakPolarHBondContact O-CB 3.45Å; Q109-L113 PolarHBondContact O-N 3.42Å; L110-L113 WeakPolarHBondContact O-CB 3.46Å; L110-L113 PolarHBondContact O-N 3.27Å; L113-V116 PolarHBondContact O-N 3.2Å; L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 2.92Å
114	D	96.1	Very high	95.7	Very high	74 Å²	74	62.5 Å²	62.5	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-44	-179.4	-77.9	-15.1	0	0	0	112.1	K57 L110 Q111 S112 F117 E118	K57-D114 IonicContact NZ-OD1 2.74Å; K57-D114 PolarHBondContact NZ-OD1 2.86Å; L110-D114 PolarHBondContact O-N 2.89Å; Q111-D114 PolarHBondContact O-N 2.93Å; S112-D114 VanDerWaalsContact C-N 3.35Å; S112-D114 PolarHBondContact O-N 3.4Å; D114-F117 PolarHBondContact O-N 3.23Å; D114-E118 WeakPolarHBondContact O-CB 3.49Å; D114-E118 WeakPolarHBondContact O-CG 3.35Å; D114-E118 PolarHBondContact O-N 2.65Å
115	S	96	Very high	95.7	Very high	84 Å²	84	59.9 Å²	59.9	59%	0.587	33%	0.331	S	S	*	.	H	α-helix	trans	-61	-46.3	176.9	-176.2	0	0	0	0	112	Q111 S112 G119	Q111-S115 WeakPolarHBondContact O-CB 3.47Å; Q111-S115 PolarHBondContact O-N 2.77Å; S112-S115 PolarHBondContact O-N 2.91Å; S115-G119 WeakPolarHBondContact O-CA 3.43Å; S115-G119 PolarHBondContact O-N 3.16Å
116	V	96.6	Very high	95.5	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-41.4	179.2	173.6	0	0	0	0	111.1	V88 S112 L113 T120 Y121	V88-V116 HydrophobicContact CG1-CB 4.04Å; V88-V116 HydrophobicContact CG1-CG1 3.6Å; S112-V116 WeakPolarHBondContact O-CB 3.37Å; S112-V116 VanDerWaalsContact O-CG2 3.27Å; S112-V116 WeakPolarHBondContact O-CG2 3.1Å; S112-V116 PolarHBondContact O-N 3.21Å; L113-V116 PolarHBondContact O-N 3.2Å; V116-T120 WeakPolarHBondContact O-CA 3.27Å; V116-T120 WeakPolarHBondContact O-CB 3.18Å; V116-T120 PolarHBondContact O-N 3.3Å; V116-Y121 HydrophobicContact CG1-CD2 3.79Å; V116-Y121 HydrophobicContact CG1-CE2 3.54Å; V116-Y121 PolarHBondContact O-N 3.27Å
117	F	95.9	Very high	95.3	Very high	10 Å²	10	58 Å²	58	4%	0.044	32%	0.32	C	S	.	.	I	π-helix	trans	-59.9	-50	178.6	178.9	-98.5	0	0	0	111.8	I56 K57 V59 F61 L113 D114 Y121 K122	I56-F117 HydrophobicContact CB-CD2 4.03Å; I56-F117 HydrophobicContact CB-CE2 4.37Å; I56-F117 HydrophobicContact CG2-CD2 3.82Å; I56-F117 WeakPolarHBondContact O-CE2 3.47Å; K57-F117 HydrophobicContact CB-CD2 4.48Å; K57-F117 HydrophobicContact CB-CE2 4.2Å; K57-F117 HydrophobicContact CD-CB 4.32Å; K57-F117 HydrophobicContact CD-CD1 4.15Å; K57-F117 HydrophobicContact CD-CD2 4.02Å; K57-F117 HydrophobicContact CD-CE1 4.46Å; K57-F117 HydrophobicContact CD-CE2 4.35Å; K57-F117 HydrophobicContact CD-CG 3.92Å; K57-F117 HydrophobicContact CG-CD2 4.32Å; V59-F117 HydrophobicContact CB-CE2 4.04Å; V59-F117 HydrophobicContact CB-CZ 4.16Å; V59-F117 HydrophobicContact CG2-CE2 4.02Å; V59-F117 HydrophobicContact CG2-CZ 3.74Å; F61-F117 HydrophobicContact CE2-CD2 4.11Å; F61-F117 AromaticContact CE2-CE2 3.65Å; F61-F117 HydrophobicContact CE2-CE2 3.65Å; F61-F117 HydrophobicContact CZ-CD2 4.12Å; F61-F117 AromaticContact CZ-CE2 3.56Å; F61-F117 HydrophobicContact CZ-CE2 3.56Å; F61-F117 HydrophobicContact CZ-CZ 4.08Å; L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 2.92Å; D114-F117 PolarHBondContact O-N 3.23Å; F117-Y121 PolarHBondContact O-N 2.68Å; F117-K122 HydrophobicContact CD1-CD 3.84Å; F117-K122 HydrophobicContact CD1-CG 4.37Å; F117-K122 HydrophobicContact CE1-CD 3.35Å; F117-K122 HydrophobicContact CE1-CG 4.02Å; F117-K122 HydrophobicContact CZ-CD 3.91Å; F117-K122 HydrophobicContact CZ-CG 4.2Å; F117-K122 PolarHBondContact O-N 3.33Å
118	E	93.2	Very high	95.1	Very high	95 Å²	95	53.3 Å²	53.3	44%	0.444	30%	0.3	S	S	.	.	I	π-helix	trans	-74.5	-49.4	-179.9	-68.9	-64.1	152.3	0	0	112.4	D114 K122	D114-E118 WeakPolarHBondContact O-CB 3.49Å; D114-E118 WeakPolarHBondContact O-CG 3.35Å; D114-E118 PolarHBondContact O-N 2.65Å; E118-K122 WeakPolarHBondContact OE1-CD 3.18Å; E118-K122 IonicContact OE1-NZ 2.79Å; E118-K122 PolarHBondContact OE1-NZ 3.32Å; E118-K122 WeakPolarHBondContact OE2-CD 3.21Å; E118-K122 WeakPolarHBondContact OE2-CE 3.42Å; E118-K122 IonicContact OE2-NZ 2.67Å; E118-K122 PolarHBondContact OE2-NZ 2.9Å
119	G	93.5	Very high	95	Very high	55 Å²	55	47.1 Å²	47.1	57%	0.567	27%	0.271	S	S	*	.	I	π-helix	trans	-80.9	-22.3	-171.4	0	0	0	0	0	114.9	S115	S115-G119 WeakPolarHBondContact O-CA 3.43Å; S115-G119 PolarHBondContact O-N 3.16Å
120	T	93.4	Very high	94.8	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.313	26%	0.259	S	S	.	.	I	π-helix	trans	-112.8	-62	-179.5	-54.7	0	0	0	0	111.3	V116 K124	V116-T120 WeakPolarHBondContact O-CA 3.27Å; V116-T120 WeakPolarHBondContact O-CB 3.18Å; V116-T120 PolarHBondContact O-N 3.3Å; T120-K124 HydrophobicContact CG2-CD 3.94Å; T120-K124 WeakPolarHBondContact O-CB 3.39Å; T120-K124 WeakPolarHBondContact O-CG 3.42Å; T120-K124 PolarHBondContact O-N 3.18Å
121	Y	95.1	Very high	94.7	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.063	25%	0.249	C	C	.	.	I	π-helix	trans	-76	-50.6	-166.9	-71.3	-83.2	0	0	0	112.8	M54 I56 V88 V116 F117 A123 K124 Y125	M54-Y121 HydrophobicContact CE-CE1 4.33Å; M54-Y121 HydrophobicContact SD-CE1 3.95Å; I56-Y121 HydrophobicContact CD1-CD1 3.54Å; I56-Y121 HydrophobicContact CD1-CD2 3.24Å; I56-Y121 HydrophobicContact CD1-CE1 3.65Å; I56-Y121 HydrophobicContact CD1-CE2 3.35Å; I56-Y121 HydrophobicContact CD1-CG 3.33Å; V88-Y121 HydrophobicContact CG1-CE2 4.32Å; V88-Y121 HydrophobicContact CG2-CE2 4.34Å; V116-Y121 HydrophobicContact CG1-CD2 3.79Å; V116-Y121 HydrophobicContact CG1-CE2 3.54Å; V116-Y121 PolarHBondContact O-N 3.27Å; F117-Y121 PolarHBondContact O-N 2.68Å; Y121-A123 PolarHBondContact O-N 3.36Å; Y121-K124 PolarHBondContact O-N 3.38Å; Y121-Y125 AromaticContact CD1-CD2 3.74Å; Y121-Y125 HydrophobicContact CD1-CD2 3.74Å; Y121-Y125 AromaticContact CD1-CE2 3.99Å; Y121-Y125 HydrophobicContact CD1-CE2 3.99Å; Y121-Y125 HydrophobicContact CE1-CD2 4.43Å; Y121-Y125 HydrophobicContact CE1-CE2 4.28Å; Y121-Y125 PolarHBondContact O-N 3.43Å
122	K	92.7	Very high	94.5	Very high	51 Å²	51	38.6 Å²	38.6	22%	0.222	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-32.2	175.1	-78.6	-179	64.9	-164.3	0	113.3	F61 F117 E118	F61-K122 HydrophobicContact CE1-CG 3.98Å; F61-K122 HydrophobicContact CZ-CG 3.95Å; F117-K122 HydrophobicContact CD1-CD 3.84Å; F117-K122 HydrophobicContact CD1-CG 4.37Å; F117-K122 HydrophobicContact CE1-CD 3.35Å; F117-K122 HydrophobicContact CE1-CG 4.02Å; F117-K122 HydrophobicContact CZ-CD 3.91Å; F117-K122 HydrophobicContact CZ-CG 4.2Å; F117-K122 PolarHBondContact O-N 3.33Å; E118-K122 WeakPolarHBondContact OE1-CD 3.18Å; E118-K122 IonicContact OE1-NZ 2.79Å; E118-K122 PolarHBondContact OE1-NZ 3.32Å; E118-K122 WeakPolarHBondContact OE2-CD 3.21Å; E118-K122 WeakPolarHBondContact OE2-CE 3.42Å; E118-K122 IonicContact OE2-NZ 2.67Å; E118-K122 PolarHBondContact OE2-NZ 2.9Å
123	A	91.8	Very high	94.2	Very high	77 Å²	77	40.8 Å²	40.8	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-74.2	-33.5	178.9	0	0	0	0	0	113.1	Y121	Y121-A123 PolarHBondContact O-N 3.36Å
124	K	93.3	Very high	93.8	Very high	117 Å²	117	46 Å²	46	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-104.4	-31	-169.6	-65.4	175.2	69.2	-174.4	0	114.6	T120 Y121	T120-K124 HydrophobicContact CG2-CD 3.94Å; T120-K124 WeakPolarHBondContact O-CB 3.39Å; T120-K124 WeakPolarHBondContact O-CG 3.42Å; T120-K124 PolarHBondContact O-N 3.18Å; Y121-K124 PolarHBondContact O-N 3.38Å
125	Y	94.9	Very high	93.4	Very high	13 Å²	13	43.4 Å²	43.4	5%	0.051	26%	0.26	C	S	.	.	S	Bend	trans	-122.2	138	-168.1	-57.6	-69.9	0	0	0	111.4	D62 V63 K65 Y70 Y121	D62-Y125 WeakPolarHBondContact O-CD1 3.4Å; V63-Y125 HydrophobicContact CB-CD1 4.23Å; V63-Y125 HydrophobicContact CB-CE1 4.23Å; V63-Y125 HydrophobicContact CG1-CD1 4.13Å; V63-Y125 HydrophobicContact CG1-CD2 4.1Å; V63-Y125 HydrophobicContact CG1-CE1 4.39Å; V63-Y125 HydrophobicContact CG1-CE2 4.37Å; V63-Y125 HydrophobicContact CG1-CG 3.98Å; K65-Y125 HydrophobicContact CB-CE1 4.48Å; Y70-Y125 AromaticContact CE2-CZ 3.97Å; Y121-Y125 AromaticContact CD1-CD2 3.74Å; Y121-Y125 HydrophobicContact CD1-CD2 3.74Å; Y121-Y125 AromaticContact CD1-CE2 3.99Å; Y121-Y125 HydrophobicContact CD1-CE2 3.99Å; Y121-Y125 HydrophobicContact CE1-CD2 4.43Å; Y121-Y125 HydrophobicContact CE1-CE2 4.28Å; Y121-Y125 PolarHBondContact O-N 3.43Å
126	P	94.4	Very high	93	Very high	29 Å²	29	41.9 Å²	41.9	19%	0.188	25%	0.245	C	C	.	.			trans	-71	144	176.3	27.2	-28.3	0	0	0	110.7	F61 D62 Q155	F61-P126 WeakPolarHBondContact CA-O 3.32Å; D62-P126 HydrophobicContact CB-CG 4.1Å; D62-P126 PolarHBondContact N-O 3.21Å; P126-Q155 HydrophobicContact CB-CB 4.43Å
127	I	93.4	Very high	92.6	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.3	172.2	-61.7	168.1	0	0	0	107.9	V59 V60 F61 Q151 F154	V59-I127 HydrophobicContact CG1-CB 4.26Å; V59-I127 HydrophobicContact CG1-CD1 3.87Å; V59-I127 HydrophobicContact CG1-CG1 3.74Å; V59-I127 HydrophobicContact CG1-CG2 3.56Å; V60-I127 WeakPolarHBondContact O-CA 3.35Å; F61-I127 HydrophobicContact CD1-CG1 3.94Å; F61-I127 HydrophobicContact CE1-CD1 4.28Å; F61-I127 HydrophobicContact CE1-CG1 3.59Å; F61-I127 HydrophobicContact CZ-CG1 4.37Å; I127-Q151 HydrophobicContact CD1-CB 4.47Å; I127-F154 HydrophobicContact CG2-CE1 4.26Å; I127-F154 HydrophobicContact CG2-CE2 4.37Å; I127-F154 HydrophobicContact CG2-CZ 3.95Å
128	V	94.1	Very high	92.1	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-7.1	-178.9	-65.1	0	0	0	0	113.2	R33 F35 Y53 V60 D62	R33-V128 WeakPolarHBondContact CB-O 3.13Å; F35-V128 HydrophobicContact CE2-CG2 4.26Å; F35-V128 HydrophobicContact CZ-CG2 4.13Å; Y53-V128 HydrophobicContact CD1-CG2 4.16Å; Y53-V128 HydrophobicContact CD2-CG2 4.49Å; Y53-V128 HydrophobicContact CE1-CG2 4.02Å; Y53-V128 HydrophobicContact CE2-CG2 4.38Å; Y53-V128 HydrophobicContact CG-CG2 4.41Å; V60-V128 HydrophobicContact CB-CG2 4.19Å; V60-V128 HydrophobicContact CG1-CG2 3.71Å; V60-V128 WeakPolarHBondContact O-CG2 3.32Å; V60-V128 PolarHBondContact O-N 3.1Å; D62-V128 HydrophobicContact CB-CG1 3.7Å; D62-V128 HydrophobicContact CB-CG2 4.5Å
129	G	94.3	Very high	91.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-158	174.3	0	0	0	0	0	113	R33 V60	R33-G129 CarbonylContact O-C 3.57Å; R33-G129 WeakPolarHBondContact O-CA 3.48Å; V60-G129 PolarHBondContact N-O 3.02Å
130	Y	94.9	Very high	91.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.2	-177.5	-58.2	-83.7	0	0	0	111.1	V32 R33 L34 F35 G58 V59 R134 L135 F146 Q151 F154	V32-Y130 HydrophobicContact CB-CD2 3.94Å; V32-Y130 HydrophobicContact CB-CE2 3.98Å; V32-Y130 HydrophobicContact CG1-CD2 4.27Å; V32-Y130 HydrophobicContact CG1-CE2 3.79Å; V32-Y130 HydrophobicContact CG2-CD2 4.22Å; R33-Y130 PolarHBondContact O-N 2.63Å; L34-Y130 CarbonylContact C-O 2.98Å; L34-Y130 WeakPolarHBondContact CA-O 3.23Å; F35-Y130 PolarHBondContact N-O 3.47Å; G58-Y130 CarbonylContact O-C 3.55Å; G58-Y130 VanDerWaalsContact O-CA 3.27Å; G58-Y130 WeakPolarHBondContact O-CA 3.37Å; V59-Y130 HydrophobicContact CB-CD1 4.3Å; V59-Y130 HydrophobicContact CB-CE1 4.23Å; V59-Y130 HydrophobicContact CG1-CD1 4.35Å; V59-Y130 HydrophobicContact CG1-CE1 3.95Å; V59-Y130 HydrophobicContact CG2-CD1 3.97Å; V59-Y130 HydrophobicContact CG2-CE1 3.75Å; Y130-R134 HydrophobicContact CD1-CG 4.3Å; Y130-L135 HydrophobicContact CD2-CD2 4.28Å; Y130-L135 HydrophobicContact CG-CD2 4.16Å; Y130-F146 AromaticContact CD1-CE2 3.92Å; Y130-F146 HydrophobicContact CD1-CE2 3.92Å; Y130-F146 HydrophobicContact CD1-CZ 4.23Å; Y130-F146 HydrophobicContact CD2-CE2 4.11Å; Y130-F146 AromaticContact CD2-CZ 3.59Å; Y130-F146 HydrophobicContact CD2-CZ 3.59Å; Y130-F146 HydrophobicContact CE1-CE2 4Å; Y130-F146 HydrophobicContact CE1-CZ 4.19Å; Y130-F146 HydrophobicContact CE2-CE2 4.17Å; Y130-F146 AromaticContact CE2-CZ 3.53Å; Y130-F146 HydrophobicContact CE2-CZ 3.53Å; Y130-F146 AromaticContact CG-CE2 3.99Å; Y130-F146 HydrophobicContact CG-CE2 3.99Å; Y130-F146 AromaticContact CG-CZ 3.95Å; Y130-F146 HydrophobicContact CG-CZ 3.95Å; Y130-F146 AromaticContact CZ-CZ 3.86Å; Y130-Q151 VanDerWaalsContact OH-CD 3.27Å; Y130-Q151 PolarHBondContact OH-OE1 3.47Å; Y130-F154 HydrophobicContact CD2-CZ 4.36Å; Y130-F154 AromaticContact CE2-CE2 3.71Å; Y130-F154 HydrophobicContact CE2-CE2 3.71Å; Y130-F154 AromaticContact CE2-CZ 3.51Å; Y130-F154 HydrophobicContact CE2-CZ 3.51Å; Y130-F154 WeakPolarHBondContact OH-CE2 3.38Å
131	T	95.3	Very high	90.8	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.8	175.1	62.8	0	0	0	0	110.8	F35 L40 A55 G58 V60 D83 A133 R134 L135	F35-T131 CarbonylContact O-C 3.51Å; F35-T131 WeakPolarHBondContact O-CA 3.37Å; L40-T131 HydrophobicContact CD2-CG2 4.39Å; A55-T131 HydrophobicContact CB-CG2 3.55Å; G58-T131 VanDerWaalsContact CA-OG1 3.27Å; G58-T131 WeakPolarHBondContact CA-OG1 3.45Å; G58-T131 PolarHBondContact O-N 3.32Å; V60-T131 HydrophobicContact CG2-CG2 4.12Å; D83-T131 HydrophobicContact CB-CG2 4.45Å; T131-A133 PolarHBondContact O-N 3.42Å; T131-R134 WeakPolarHBondContact O-CB 3.42Å; T131-R134 PolarHBondContact O-N 3.3Å; T131-L135 PolarHBondContact O-N 2.88Å
132	A	92.6	Very high	90.3	Very high	26 Å²	26	52.8 Å²	52.8	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-54.2	-41	176	0	0	0	0	0	111.8	L34 F35 R134 L135 L136	L34-A132 HydrophobicContact CD1-CB 4.39Å; L34-A132 HydrophobicContact CD2-CB 4.08Å; L34-A132 HydrophobicContact CG-CB 4.32Å; F35-A132 PolarHBondContact O-N 3.13Å; A132-R134 PolarHBondContact O-N 3.44Å; A132-L135 PolarHBondContact O-N 2.87Å; A132-L135 VanDerWaalsContact O-N 3.1Å; A132-L136 WeakPolarHBondContact O-CB 3.38Å; A132-L136 PolarHBondContact O-N 2.96Å
133	A	89.3	Confident	90	Very high	75 Å²	75	53.5 Å²	53.5	62%	0.62	33%	0.33	S	S	*	.	H	α-helix	trans	-61.3	-26.6	177.2	0	0	0	0	0	113.8	T131 K143	T131-A133 PolarHBondContact O-N 3.42Å; A133-K143 WeakPolarHBondContact O-CE 3.31Å
134	R	89.6	Confident	89.4	Confident	115 Å²	115	59.9 Å²	59.9	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-79.6	-31.6	176.1	-174.3	62.5	178.3	168	3.6	112.7	Y130 T131 A132 K143 F146	Y130-R134 HydrophobicContact CD1-CG 4.3Å; T131-R134 WeakPolarHBondContact O-CB 3.42Å; T131-R134 PolarHBondContact O-N 3.3Å; A132-R134 PolarHBondContact O-N 3.44Å; R134-K143 WeakPolarHBondContact O-CD 3.47Å; R134-F146 HydrophobicContact CG-CD2 4.46Å; R134-F146 HydrophobicContact CG-CE2 4.46Å
135	L	87.2	Confident	88.7	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-96.6	-29.3	-173.7	-63.9	-176.8	0	0	0	113.4	V32 L34 Y130 T131 A132 P142 K143 F146	V32-L135 HydrophobicContact CG2-CD1 4.38Å; L34-L135 HydrophobicContact CB-CD1 3.89Å; L34-L135 HydrophobicContact CD1-CB 4.31Å; L34-L135 HydrophobicContact CD1-CD1 3.91Å; L34-L135 HydrophobicContact CG-CD1 4.05Å; Y130-L135 HydrophobicContact CD2-CD2 4.28Å; Y130-L135 HydrophobicContact CG-CD2 4.16Å; T131-L135 PolarHBondContact O-N 2.88Å; A132-L135 PolarHBondContact O-N 2.87Å; A132-L135 VanDerWaalsContact O-N 3.1Å; L135-P142 WeakPolarHBondContact O-CA 3.45Å; L135-K143 WeakPolarHBondContact O-CB 3.38Å; L135-K143 PolarHBondContact O-N 2.84Å; L135-F146 HydrophobicContact CD2-CD1 3.56Å; L135-F146 HydrophobicContact CD2-CD2 3.62Å; L135-F146 HydrophobicContact CD2-CE1 3.37Å; L135-F146 HydrophobicContact CD2-CE2 3.44Å; L135-F146 VanDerWaalsContact CD2-CE2 3.44Å; L135-F146 HydrophobicContact CD2-CG 3.69Å; L135-F146 HydrophobicContact CD2-CZ 3.33Å
136	L	87.6	Confident	87.9	Confident	53 Å²	53	61.4 Å²	61.4	28%	0.277	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-120.8	148.4	-168.3	-52.2	-178.8	0	0	0	111.3	L34 A132 S141 K143	L34-L136 HydrophobicContact CD1-CD1 3.84Å; L34-L136 HydrophobicContact CD1-CD2 4.42Å; L34-L136 HydrophobicContact CD1-CG 4.05Å; A132-L136 WeakPolarHBondContact O-CB 3.38Å; A132-L136 PolarHBondContact O-N 2.96Å; L136-S141 CarbonylContact C-O 3.51Å; L136-S141 WeakPolarHBondContact CA-O 3.28Å; L136-K143 VanDerWaalsContact O-CE 3.22Å; L136-K143 WeakPolarHBondContact O-CE 3.47Å
137	N	88.2	Confident	86.8	Confident	61 Å²	61	66.2 Å²	66.2	33%	0.326	37%	0.374	S	S	.	.			trans	-77.8	172	165.6	-62.8	-53	0	0	0	110.3	D139 G140 S141 K143	N137-D139 VanDerWaalsContact CB-OD1 3.25Å; N137-D139 WeakPolarHBondContact CB-OD1 3.49Å; N137-D139 PolarHBondContact O-N 3Å; N137-D139 VanDerWaalsContact O-N 3.15Å; N137-G140 PolarHBondContact O-N 3.44Å; N137-S141 PolarHBondContact N-O 2.83Å; N137-S141 PolarHBondContact ND2-O 2.67Å; N137-S141 PolarHBondContact ND2-OG 2.79Å; N137-K143 VanDerWaalsContact OD1-CG 3.3Å; N137-K143 WeakPolarHBondContact OD1-CG 3.2Å; N137-K143 PolarHBondContact OD1-NZ 2.82Å
138	A	84.8	Confident	85.5	Confident	120 Å²	120	66.7 Å²	66.7	99%	0.992	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	179	0	0	0	0	0	113.6	G140	A138-G140 VanDerWaalsContact C-N 3.3Å
139	D	86	Confident	83.6	Confident	125 Å²	125	71.7 Å²	71.7	67%	0.668	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	2.7	175.1	67.7	-5	0	0	0	113.5	N137 S141	N137-D139 VanDerWaalsContact CB-OD1 3.25Å; N137-D139 WeakPolarHBondContact CB-OD1 3.49Å; N137-D139 PolarHBondContact O-N 3Å; N137-D139 VanDerWaalsContact O-N 3.15Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.36Å; D139-S141 VanDerWaalsContact OD1-CB 3.22Å; D139-S141 WeakPolarHBondContact OD1-CB 3.38Å; D139-S141 PolarHBondContact OD1-N 3.43Å; D139-S141 PolarHBondContact OD1-OG 2.91Å; D139-S141 PolarHBondContact OD2-OG 3.34Å
140	G	82.5	Confident	81.7	Confident	43 Å²	43	75.3 Å²	75.3	44%	0.443	43%	0.431	S	S	.	.	S	Bend	trans	80.2	-1.1	-177	0	0	0	0	0	114.6	N137 A138	N137-G140 PolarHBondContact O-N 3.44Å; A138-G140 VanDerWaalsContact C-N 3.3Å
141	S	84.7	Confident	79.8	Confident	41 Å²	41	76.8 Å²	76.8	29%	0.287	44%	0.437	S	S	.	.			trans	-72.5	146	176.2	68.1	0	0	0	0	111.5	L136 N137 D139	L136-S141 CarbonylContact C-O 3.51Å; L136-S141 WeakPolarHBondContact CA-O 3.28Å; N137-S141 PolarHBondContact N-O 2.83Å; N137-S141 PolarHBondContact ND2-O 2.67Å; N137-S141 PolarHBondContact ND2-OG 2.79Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 3.36Å; D139-S141 VanDerWaalsContact OD1-CB 3.22Å; D139-S141 WeakPolarHBondContact OD1-CB 3.38Å; D139-S141 PolarHBondContact OD1-N 3.43Å; D139-S141 PolarHBondContact OD1-OG 2.91Å; D139-S141 PolarHBondContact OD2-OG 3.34Å
142	P	85.4	Confident	77.5	Confident	98 Å²	98	80.1 Å²	80.1	64%	0.636	46%	0.459	S	S	*	.	B	Isolated β-bridge	trans	-62.7	137.4	176.7	-24.1	34.3	0	0	0	113.3	L135 K144	L135-P142 WeakPolarHBondContact O-CA 3.45Å; P142-K144 PolarHBondContact O-N 2.85Å
143	K	85.3	Confident	75.3	Confident	67 Å²	67	87 Å²	87	29%	0.291	49%	0.487	S	S	.	.			trans	-68.8	111.9	170.2	-81.8	-180	-178.1	-60.5	0	110	A133 R134 L135 L136 N137 D145 F146	A133-K143 WeakPolarHBondContact O-CE 3.31Å; R134-K143 WeakPolarHBondContact O-CD 3.47Å; L135-K143 WeakPolarHBondContact O-CB 3.38Å; L135-K143 PolarHBondContact O-N 2.84Å; L136-K143 VanDerWaalsContact O-CE 3.22Å; L136-K143 WeakPolarHBondContact O-CE 3.47Å; N137-K143 VanDerWaalsContact OD1-CG 3.3Å; N137-K143 WeakPolarHBondContact OD1-CG 3.2Å; N137-K143 PolarHBondContact OD1-NZ 2.82Å; K143-D145 WeakPolarHBondContact CB-OD1 3.45Å; K143-D145 PolarHBondContact O-N 2.75Å; K143-F146 HydrophobicContact CB-CB 4.4Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.11Å; K143-F146 VanDerWaalsContact O-N 3.16Å
144	K	80.6	Confident	73.3	Confident	211 Å²	211	85.5 Å²	85.5	92%	0.917	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.3	-175.2	-63.7	-175.6	-179	178.2	0	113.9	P142 F146	P142-K144 PolarHBondContact O-N 2.85Å; K144-F146 VanDerWaalsContact C-N 3.35Å
145	D	78.5	Confident	71.4	Confident	123 Å²	123	86.6 Å²	86.6	66%	0.658	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.3	177.8	60.5	-41.2	0	0	0	113	K143 K147	K143-D145 WeakPolarHBondContact CB-OD1 3.45Å; K143-D145 PolarHBondContact O-N 2.75Å; D145-K147 PolarHBondContact O-N 2.73Å
146	F	77.8	Confident	69.5	Low	39 Å²	39	88.6 Å²	88.6	17%	0.171	49%	0.489	C	S	.	.			trans	-67.7	120.3	174.1	178.5	-103.8	0	0	0	110.7	V32 Y130 R134 L135 K143 K144 P148	V32-F146 HydrophobicContact CG2-CE1 4.08Å; V32-F146 HydrophobicContact CG2-CZ 4.45Å; Y130-F146 AromaticContact CD1-CE2 3.92Å; Y130-F146 HydrophobicContact CD1-CE2 3.92Å; Y130-F146 HydrophobicContact CD1-CZ 4.23Å; Y130-F146 HydrophobicContact CD2-CE2 4.11Å; Y130-F146 AromaticContact CD2-CZ 3.59Å; Y130-F146 HydrophobicContact CD2-CZ 3.59Å; Y130-F146 HydrophobicContact CE1-CE2 4Å; Y130-F146 HydrophobicContact CE1-CZ 4.19Å; Y130-F146 HydrophobicContact CE2-CE2 4.17Å; Y130-F146 AromaticContact CE2-CZ 3.53Å; Y130-F146 HydrophobicContact CE2-CZ 3.53Å; Y130-F146 AromaticContact CG-CE2 3.99Å; Y130-F146 HydrophobicContact CG-CE2 3.99Å; Y130-F146 AromaticContact CG-CZ 3.95Å; Y130-F146 HydrophobicContact CG-CZ 3.95Å; Y130-F146 AromaticContact CZ-CZ 3.86Å; R134-F146 HydrophobicContact CG-CD2 4.46Å; R134-F146 HydrophobicContact CG-CE2 4.46Å; L135-F146 HydrophobicContact CD2-CD1 3.56Å; L135-F146 HydrophobicContact CD2-CD2 3.62Å; L135-F146 HydrophobicContact CD2-CE1 3.37Å; L135-F146 HydrophobicContact CD2-CE2 3.44Å; L135-F146 VanDerWaalsContact CD2-CE2 3.44Å; L135-F146 HydrophobicContact CD2-CG 3.69Å; L135-F146 HydrophobicContact CD2-CZ 3.33Å; K143-F146 HydrophobicContact CB-CB 4.4Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.11Å; K143-F146 VanDerWaalsContact O-N 3.16Å; K144-F146 VanDerWaalsContact C-N 3.35Å; F146-P148 HydrophobicContact CD1-CG 4.32Å; F146-P148 HydrophobicContact CE1-CB 3.67Å; F146-P148 VanDerWaalsContact CE1-CD 3.43Å; F146-P148 HydrophobicContact CE1-CG 3.68Å; F146-P148 HydrophobicContact CZ-CB 3.78Å; F146-P148 HydrophobicContact CZ-CG 4.3Å
147	K	70.6	Confident	67.5	Low	130 Å²	130	94.1 Å²	94.1	57%	0.565	51%	0.506	S	S	*	.			trans	-122.7	95.1	177.9	-67.1	-174.4	-177	179.8	0	110	D145 E149 A150	D145-K147 PolarHBondContact O-N 2.73Å; K147-E149 VanDerWaalsContact C-N 3.26Å; K147-E149 WeakPolarHBondContact CB-OE1 3.32Å; K147-E149 PolarHBondContact O-N 3.34Å; K147-A150 HydrophobicContact CB-CB 4.31Å; K147-A150 PolarHBondContact O-N 3.01Å
148	P	66.2	Low	65.3	Low	23 Å²	23	98.4 Å²	98.4	15%	0.149	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-65.1	-32.1	178.4	23.7	-29.6	0	0	0	112	V32 F146 A150 Q151	V32-P148 HydrophobicContact CG1-CB 3.77Å; V32-P148 HydrophobicContact CG1-CG 4.44Å; F146-P148 HydrophobicContact CD1-CG 4.32Å; F146-P148 HydrophobicContact CE1-CB 3.67Å; F146-P148 VanDerWaalsContact CE1-CD 3.43Å; F146-P148 HydrophobicContact CE1-CG 3.68Å; F146-P148 HydrophobicContact CZ-CB 3.78Å; F146-P148 HydrophobicContact CZ-CG 4.3Å; P148-A150 PolarHBondContact O-N 3.41Å; P148-A150 VanDerWaalsContact O-N 3.17Å; P148-Q151 PolarHBondContact O-N 3.33Å; P148-Q151 VanDerWaalsContact O-N 3.17Å
149	E	55	Low	63.3	Low	123 Å²	123	98 Å²	98	58%	0.575	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14.2	178.7	62.4	-81.7	179.1	0	0	115	K147 Q151	K147-E149 VanDerWaalsContact C-N 3.26Å; K147-E149 WeakPolarHBondContact CB-OE1 3.32Å; K147-E149 PolarHBondContact O-N 3.34Å; E149-Q151 PolarHBondContact O-N 2.74Å
150	A	54.4	Low	61.2	Low	77 Å²	77	105.6 Å²	105.6	64%	0.636	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-76.7	-1.5	174.9	0	0	0	0	0	113	K147 P148	K147-A150 HydrophobicContact CB-CB 4.31Å; K147-A150 PolarHBondContact O-N 3.01Å; P148-A150 PolarHBondContact O-N 3.41Å; P148-A150 VanDerWaalsContact O-N 3.17Å
151	Q	55.3	Low	60.1	Low	31 Å²	31	108.7 Å²	108.7	15%	0.145	54%	0.539	C	S	.	.	S	Bend	trans	-116.4	121.4	-177.2	-58.8	-176.1	19.4	0	0	110	I127 Y130 P148 E149 H153	I127-Q151 HydrophobicContact CD1-CB 4.47Å; Y130-Q151 VanDerWaalsContact OH-CD 3.27Å; Y130-Q151 PolarHBondContact OH-OE1 3.47Å; P148-Q151 PolarHBondContact O-N 3.33Å; P148-Q151 VanDerWaalsContact O-N 3.17Å; E149-Q151 PolarHBondContact O-N 2.74Å; Q151-H153 PolarHBondContact O-N 3.48Å
152	P	45.9	Very low	58.8	Low	84 Å²	84	112.3 Å²	112.3	55%	0.545	55%	0.552	S	S	.	*	S	Bend	trans	-65.5	134.8	-173.5	24.4	-31.5	0	0	0	111.6
153	H	47.5	Very low	57.4	Low	171 Å²	171	113.1 Å²	113.1	79%	0.792	55%	0.548	S	S	*	.			trans	44.1	86	166.2	-56.1	-68.6	0	0	0	116.4	Q151 Q155	Q151-H153 PolarHBondContact O-N 3.48Å; H153-Q155 PolarHBondContact O-N 2.89Å
154	F	47	Very low	55.7	Low	42 Å²	42	115.8 Å²	115.8	18%	0.184	56%	0.563	C	S	.	*			trans	-54.2	104.8	151.9	-103	-89.2	0	0	0	108.8	V32 I127 Y130 T156	V32-F154 HydrophobicContact CB-CZ 4.25Å; V32-F154 HydrophobicContact CG1-CE2 3.76Å; V32-F154 HydrophobicContact CG1-CZ 3.76Å; I127-F154 HydrophobicContact CG2-CE1 4.26Å; I127-F154 HydrophobicContact CG2-CE2 4.37Å; I127-F154 HydrophobicContact CG2-CZ 3.95Å; Y130-F154 HydrophobicContact CD2-CZ 4.36Å; Y130-F154 AromaticContact CE2-CE2 3.71Å; Y130-F154 HydrophobicContact CE2-CE2 3.71Å; Y130-F154 AromaticContact CE2-CZ 3.51Å; Y130-F154 HydrophobicContact CE2-CZ 3.51Å; Y130-F154 WeakPolarHBondContact OH-CE2 3.38Å; F154-T156 HydrophobicContact CD1-CG2 4.09Å; F154-T156 PolarHBondContact O-N 3.24Å
155	Q	48.3	Very low	54.2	Low	138 Å²	138	109.8 Å²	109.8	65%	0.645	54%	0.541	S	S	*	.			trans	-82.6	74.5	154.2	-68.4	-171.6	3	0	0	106.3	P126 H153 R157	P126-Q155 HydrophobicContact CB-CB 4.43Å; H153-Q155 PolarHBondContact O-N 2.89Å; Q155-R157 PolarHBondContact O-N 2.94Å
156	T	47.4	Very low	52.5	Low	60 Å²	60	108.9 Å²	108.9	37%	0.368	53%	0.533	S	S	.	.			trans	-59.1	112.1	162.1	16.4	0	0	0	0	106.1	F154 D158	F154-T156 HydrophobicContact CD1-CG2 4.09Å; F154-T156 PolarHBondContact O-N 3.24Å; T156-D158 PolarHBondContact O-N 3.03Å
157	R	46.7	Very low	50.7	Low	169 Å²	169	113.9 Å²	113.9	64%	0.638	56%	0.559	S	S	*	*			trans	-63.5	117.5	154.2	-74.9	174.2	63.6	142.4	-1	104.4	Q155 E159	Q155-R157 PolarHBondContact O-N 2.94Å; R157-E159 HydrophobicContact CB-CG 4.13Å; R157-E159 IonicContact CZ-OE1 2.87Å; R157-E159 VanDerWaalsContact CZ-OE1 3.24Å; R157-E159 IonicContact NE-OE1 3.95Å; R157-E159 PolarHBondContact NE-OE1 3.48Å; R157-E159 IonicContact NH2-OE1 2.72Å; R157-E159 PolarHBondContact NH2-OE1 3.08Å; R157-E159 PolarHBondContact O-N 3.11Å
158	D	40.9	Very low	49.2	Very low	152 Å²	152	112.7 Å²	112.7	81%	0.813	56%	0.558	S	S	*	*			trans	-66.1	84.1	172.5	-68.6	-32	0	0	0	106.7	T156	T156-D158 PolarHBondContact O-N 3.03Å
159	E	44.1	Very low	47.8	Very low	111 Å²	111	120.2 Å²	120.2	52%	0.519	59%	0.592	S	S	.	*			trans	-107.8	77.1	172	-70	-175.3	-174.1	0	0	107.1	R157	R157-E159 HydrophobicContact CB-CG 4.13Å; R157-E159 IonicContact CZ-OE1 2.87Å; R157-E159 VanDerWaalsContact CZ-OE1 3.24Å; R157-E159 IonicContact NE-OE1 3.95Å; R157-E159 PolarHBondContact NE-OE1 3.48Å; R157-E159 IonicContact NH2-OE1 2.72Å; R157-E159 PolarHBondContact NH2-OE1 3.08Å; R157-E159 PolarHBondContact O-N 3.11Å
160	F	41.1	Very low	47.1	Very low	284 Å²	284	119.9 Å²	119.9	100%	1.246	59%	0.594	S	S	*	*			trans	-126.1	0	155.2	-75.8	-74.1	0	0	0	108.2

Retrieved 160 of 160 residues in 44 ms (Link to these results)

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