A0A096MQX8_PAPAN Loading...

Killer cell lectin like receptor F2

AlphaFold DB , UniProt , Accession A0A096MQX8, Species PAPAN (Papio anubis, Olive baboon), Gene KLRF2, Length 206 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	38.8	Very low	242 Å²	242	161.7 Å²	161.7	100%	1.192	83%	0.83	S	S	*	*				0	118.5	0	-86.7	167.6	171.3	0	0	106.5
2	E	41.4	Very low	38.6	Very low	186 Å²	186	164.5 Å²	164.5	87%	0.869	83%	0.832	S	S	*	*			trans	53.2	117.5	166.2	-69.3	173.4	161.6	0	0	120.9
3	N	30.4	Very low	38.6	Very low	156 Å²	156	167.3 Å²	167.3	83%	0.834	84%	0.836	S	S	*	*			trans	-176.8	156.5	131.7	-92.9	-6.2	0	0	0	113.1
4	E	40.4	Very low	38.9	Very low	164 Å²	164	166.6 Å²	166.6	77%	0.766	84%	0.836	S	S	*	*			trans	100.9	103.6	152.6	-48.6	-148.8	171.7	0	0	121.6
5	D	47.6	Very low	38.7	Very low	150 Å²	150	168.6 Å²	168.6	80%	0.802	84%	0.841	S	S	*	*				48.8	131.3	115.9	-52.2	-14.9	0	0	0	121.6
6	G	38.5	Very low	38.7	Very low	78 Å²	78	170 Å²	170	80%	0.804	84%	0.84	S	S	*	*			trans	-165.2	117.2	168.7	0	0	0	0	0	114
7	Y	44.4	Very low	38.6	Very low	197 Å²	197	165.9 Å²	165.9	77%	0.773	83%	0.832	S	S	*	*			trans	-107	163	-160.8	46	-93.6	0	0	0	114.7
8	M	38.5	Very low	38.4	Very low	158 Å²	158	167.4 Å²	167.4	78%	0.778	83%	0.833	S	S	*	*			trans	62.4	151.7	148.3	-69.2	-172.6	-148.6	0	0	124.3
9	M	36.8	Very low	38.5	Very low	154 Å²	154	168.5 Å²	168.5	76%	0.759	84%	0.835	S	S	*	*			trans	120.2	135.8	144.9	-66.1	-48.2	-161.5	0	0	113.7
10	L	39.3	Very low	38.2	Very low	143 Å²	143	170.2 Å²	170.2	75%	0.749	84%	0.837	S	S	*	*			cis	-164.4	156.7	9.8	-105.3	158.1	0	0	0	110.1
11	N	32.4	Very low	38.3	Very low	151 Å²	151	166 Å²	166	81%	0.807	83%	0.825	S	S	*	*			trans	-82.5	137.9	173.6	-145.1	-12.8	0	0	0	110
12	F	37	Very low	38.4	Very low	195 Å²	195	163.8 Å²	163.8	86%	0.855	81%	0.808	S	S	*	*			trans	-125.9	124	167.1	-109.4	-86.7	0	0	0	112.4
13	K	37.5	Very low	38.8	Very low	201 Å²	201	162.4 Å²	162.4	87%	0.874	81%	0.807	S	S	*	*			trans	-57.5	140.2	-176.3	-81.5	169.2	168.3	172.6	0	113.7
14	N	43.5	Very low	39.6	Very low	157 Å²	157	164 Å²	164	84%	0.84	81%	0.807	S	S	*	*			trans	-55.2	141.3	156.4	-105.5	-29.4	0	0	0	112.4
15	H	35.8	Very low	40.3	Very low	197 Å²	197	161 Å²	161	91%	0.912	80%	0.804	S	S	*	*			trans	-156.3	144	137.5	-123.6	-87.5	0	0	0	112.9
16	K	38.9	Very low	40.6	Very low	191 Å²	191	160.3 Å²	160.3	83%	0.83	80%	0.8	S	S	*	*			trans	-103	149.6	-158.5	-146.9	-177.9	-172.3	177	0	112.3
17	S	37.1	Very low	41.2	Very low	101 Å²	101	164.9 Å²	164.9	71%	0.706	79%	0.794	S	S	*	*			trans	78.6	132	140.9	78.9	0	0	0	0	122.7
18	K	34.2	Very low	41.9	Very low	192 Å²	192	158.9 Å²	158.9	84%	0.835	78%	0.779	S	S	*	*				162.5	103	120.3	-93.6	177	175.5	177.1	0	109.2
19	Q	41.5	Very low	43	Very low	188 Å²	188	157.7 Å²	157.7	88%	0.879	77%	0.771	S	S	*	*				74.7	109.8	78.9	-167.2	164.2	10.3	0	0	116
20	K	31.1	Very low	44.7	Very low	203 Å²	203	157.4 Å²	157.4	88%	0.883	76%	0.763	S	S	*	*			trans	179.2	143.6	151.6	-118.9	-176.1	172.3	176.1	0	107.4
21	S	41.8	Very low	46.5	Very low	82 Å²	82	157 Å²	157	57%	0.573	75%	0.753	S	S	*	*			cis	179.1	137	-20.6	49.2	0	0	0	0	104.5
22	K	39.1	Very low	48.5	Very low	195 Å²	195	153.2 Å²	153.2	85%	0.848	74%	0.737	S	S	*	*			trans	54.6	76.3	154.4	-60.2	178.7	177.3	179.1	0	117.2
23	D	48.4	Very low	50.4	Low	157 Å²	157	148.1 Å²	148.1	84%	0.84	72%	0.718	S	S	*	*			trans	-159.2	35.6	154.5	-84.7	-34.4	0	0	0	110.8
24	F	48.6	Very low	52.4	Low	190 Å²	190	142.3 Å²	142.3	83%	0.833	70%	0.697	S	S	*	*			trans	-99.8	-10.3	-163.8	-167.7	-106.1	0	0	0	115.9
25	S	53.5	Low	54.2	Low	102 Å²	102	139.2 Å²	139.2	71%	0.713	68%	0.679	S	S	*	*	S	Bend	trans	-104.8	-16	-171.7	58.1	0	0	0	0	116.1
26	L	54.8	Low	56.5	Low	134 Å²	134	134.1 Å²	134.1	70%	0.702	66%	0.658	S	S	*	*	S	Bend	trans	-108.9	4.3	-177.5	-147.4	78.3	0	0	0	113.9
27	Y	51.4	Low	58.7	Low	175 Å²	175	131.5 Å²	131.5	69%	0.686	65%	0.647	S	S	*	*	H	α-helix	trans	-83.2	-37.5	176.2	-167.5	-102.2	0	0	0	113.6	Y31	Y27-Y31 WeakPolarHBondContact O-CB 3.31Å; Y27-Y31 PolarHBondContact O-N 3.12Å
28	P	58.8	Low	61.1	Low	71 Å²	71	128.3 Å²	128.3	46%	0.461	63%	0.63	S	S	.	*	H	α-helix	trans	-70.8	-38.4	-178.5	-15.6	29.1	0	0	0	113.4	C32	P28-C32 PolarHBondContact O-N 3.29Å; P28-C32 PolarHBondContact O-SG 2.84Å; P28-C32 VanDerWaalsContact O-SG 3.37Å
29	Q	61.3	Low	63.6	Low	132 Å²	132	122.7 Å²	122.7	62%	0.617	61%	0.614	S	S	*	*	H	α-helix	trans	-72.1	-42.1	-176	-70.4	179.6	-15.1	0	0	112.2	C32 L33	Q29-C32 PolarHBondContact O-N 3.24Å; Q29-L33 WeakPolarHBondContact O-CG 3.07Å; Q29-L33 PolarHBondContact O-N 3.04Å
30	Y	73.8	Confident	65.9	Low	149 Å²	149	117.6 Å²	117.6	58%	0.584	59%	0.592	S	S	*	*	H	α-helix	trans	-66.8	-37.7	175.9	-178.2	-110.7	0	0	0	111.7	L33 L34	Y30-L33 PolarHBondContact O-N 3.15Å; Y30-L34 HydrophobicContact CD1-CD1 3.72Å; Y30-L34 HydrophobicContact CD1-CG 4.19Å; Y30-L34 HydrophobicContact CE1-CD1 3.29Å; Y30-L34 HydrophobicContact CE1-CD2 4.33Å; Y30-L34 HydrophobicContact CE1-CG 3.86Å; Y30-L34 HydrophobicContact CE2-CD2 4.33Å; Y30-L34 HydrophobicContact CE2-CG 4.26Å; Y30-L34 WeakPolarHBondContact O-CB 3.41Å; Y30-L34 WeakPolarHBondContact O-CG 3.37Å; Y30-L34 PolarHBondContact O-N 3.34Å
31	Y	75.6	Confident	68.7	Low	134 Å²	134	109.7 Å²	109.7	53%	0.525	57%	0.569	S	S	.	*	H	α-helix	trans	-63.5	-42.7	174.1	-166.5	-101.8	0	0	0	111.9	Y27 L33 L34 L35	Y27-Y31 WeakPolarHBondContact O-CB 3.31Å; Y27-Y31 PolarHBondContact O-N 3.12Å; Y31-L33 VanDerWaalsContact C-N 3.35Å; Y31-L33 PolarHBondContact O-N 2.93Å; Y31-L34 PolarHBondContact O-N 3.49Å; Y31-L35 HydrophobicContact CD1-CD1 3.72Å; Y31-L35 HydrophobicContact CD1-CG 4.12Å; Y31-L35 HydrophobicContact CE1-CD1 3.55Å; Y31-L35 HydrophobicContact CE1-CD2 4.25Å; Y31-L35 HydrophobicContact CE1-CG 3.97Å; Y31-L35 VanDerWaalsContact O-CG 3.29Å; Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.8Å
32	C	75.3	Confident	70.9	Confident	71 Å²	71	110.7 Å²	110.7	48%	0.48	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-43	172.5	-75.4	0	0	0	0	112.4	P28 Q29 L35 I36	P28-C32 PolarHBondContact O-N 3.29Å; P28-C32 PolarHBondContact O-SG 2.84Å; P28-C32 VanDerWaalsContact O-SG 3.37Å; Q29-C32 PolarHBondContact O-N 3.24Å; C32-L35 PolarHBondContact O-N 2.9Å; C32-I36 WeakPolarHBondContact O-CD1 3.43Å; C32-I36 VanDerWaalsContact O-CG1 3.23Å; C32-I36 WeakPolarHBondContact O-CG1 3.22Å; C32-I36 PolarHBondContact O-N 3.06Å
33	L	77.4	Confident	73.3	Confident	88 Å²	88	106.7 Å²	106.7	46%	0.461	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-43.7	176.6	-70.4	172.7	0	0	0	111.7	Q29 Y30 Y31 L35 I36 F37	Q29-L33 WeakPolarHBondContact O-CG 3.07Å; Q29-L33 PolarHBondContact O-N 3.04Å; Y30-L33 PolarHBondContact O-N 3.15Å; Y31-L33 VanDerWaalsContact C-N 3.35Å; Y31-L33 PolarHBondContact O-N 2.93Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 2.85Å; L33-I36 PolarHBondContact O-N 2.8Å; L33-F37 HydrophobicContact CB-CD2 4.4Å; L33-F37 HydrophobicContact CB-CE2 4.18Å; L33-F37 WeakPolarHBondContact O-CD2 3.29Å; L33-F37 PolarHBondContact O-N 2.97Å
34	L	78.9	Confident	75.2	Confident	80 Å²	80	104 Å²	104	42%	0.419	54%	0.538	S	S	.	.	H	α-helix	trans	-61.2	-39.4	175.2	-74.3	179.3	0	0	0	112.5	Y30 Y31 G38	Y30-L34 HydrophobicContact CD1-CD1 3.72Å; Y30-L34 HydrophobicContact CD1-CG 4.19Å; Y30-L34 HydrophobicContact CE1-CD1 3.29Å; Y30-L34 HydrophobicContact CE1-CD2 4.33Å; Y30-L34 HydrophobicContact CE1-CG 3.86Å; Y30-L34 HydrophobicContact CE2-CD2 4.33Å; Y30-L34 HydrophobicContact CE2-CG 4.26Å; Y30-L34 WeakPolarHBondContact O-CB 3.41Å; Y30-L34 WeakPolarHBondContact O-CG 3.37Å; Y30-L34 PolarHBondContact O-N 3.34Å; Y31-L34 PolarHBondContact O-N 3.49Å; L34-G38 PolarHBondContact O-N 3.45Å
35	L	80.4	Confident	77	Confident	91 Å²	91	101.6 Å²	101.6	48%	0.476	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-41	174.2	-71.6	176.9	0	0	0	111.6	Y31 C32 L33 G38 C39	Y31-L35 HydrophobicContact CD1-CD1 3.72Å; Y31-L35 HydrophobicContact CD1-CG 4.12Å; Y31-L35 HydrophobicContact CE1-CD1 3.55Å; Y31-L35 HydrophobicContact CE1-CD2 4.25Å; Y31-L35 HydrophobicContact CE1-CG 3.97Å; Y31-L35 VanDerWaalsContact O-CG 3.29Å; Y31-L35 WeakPolarHBondContact O-CG 3.44Å; Y31-L35 PolarHBondContact O-N 2.8Å; C32-L35 PolarHBondContact O-N 2.9Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 2.85Å; L35-G38 PolarHBondContact O-N 2.94Å; L35-C39 WeakPolarHBondContact O-CB 3.39Å; L35-C39 PolarHBondContact O-N 2.97Å; L35-C39 PolarHBondContact O-SG 3.05Å
36	I	84.3	Confident	78.6	Confident	91 Å²	91	100.3 Å²	100.3	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-48.3	177.7	-68.8	163.3	0	0	0	110.8	C32 L33 G38 C39 I40	C32-I36 WeakPolarHBondContact O-CD1 3.43Å; C32-I36 VanDerWaalsContact O-CG1 3.23Å; C32-I36 WeakPolarHBondContact O-CG1 3.22Å; C32-I36 PolarHBondContact O-N 3.06Å; L33-I36 PolarHBondContact O-N 2.8Å; I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.11Å; I36-C39 PolarHBondContact O-N 2.99Å; I36-I40 HydrophobicContact CG2-CD1 3.75Å; I36-I40 HydrophobicContact CG2-CG1 4.47Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.18Å
37	F	84.6	Confident	80	Confident	135 Å²	135	100.4 Å²	100.4	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-35.9	177.4	-70	-61.7	0	0	0	112.1	L33 I40 G41	L33-F37 HydrophobicContact CB-CD2 4.4Å; L33-F37 HydrophobicContact CB-CE2 4.18Å; L33-F37 WeakPolarHBondContact O-CD2 3.29Å; L33-F37 PolarHBondContact O-N 2.97Å; F37-I40 PolarHBondContact O-N 3.04Å; F37-G41 PolarHBondContact O-N 2.72Å
38	G	88.7	Confident	81.7	Confident	35 Å²	35	95.5 Å²	95.5	36%	0.361	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-48.5	172.1	0	0	0	0	0	112.4	L34 L35 I36 I40 G41 I42	L34-G38 PolarHBondContact O-N 3.45Å; L35-G38 PolarHBondContact O-N 2.94Å; I36-G38 VanDerWaalsContact C-N 3.3Å; I36-G38 PolarHBondContact O-N 3.11Å; G38-I40 PolarHBondContact O-N 2.88Å; G38-G41 PolarHBondContact O-N 2.77Å; G38-I42 VanDerWaalsContact O-CG1 3.25Å; G38-I42 WeakPolarHBondContact O-CG1 3.5Å; G38-I42 PolarHBondContact O-N 2.02Å
39	C	87.1	Confident	82.9	Confident	74 Å²	74	94.6 Å²	94.6	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-42.5	176.8	-71.7	0	0	0	0	112.4	L35 I36 I42 L43	L35-C39 WeakPolarHBondContact O-CB 3.39Å; L35-C39 PolarHBondContact O-N 2.97Å; L35-C39 PolarHBondContact O-SG 3.05Å; I36-C39 PolarHBondContact O-N 2.99Å; C39-I42 PolarHBondContact O-N 3.22Å; C39-L43 WeakPolarHBondContact O-CB 3.36Å; C39-L43 VanDerWaalsContact O-CG 3.3Å; C39-L43 WeakPolarHBondContact O-CG 3.46Å; C39-L43 PolarHBondContact O-N 2.89Å
40	I	89.3	Confident	83.7	Confident	80 Å²	80	92.9 Å²	92.9	41%	0.41	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.9	-67.1	166.4	0	0	0	110.3	I36 F37 G38 I42 L43 I44	I36-I40 HydrophobicContact CG2-CD1 3.75Å; I36-I40 HydrophobicContact CG2-CG1 4.47Å; I36-I40 VanDerWaalsContact O-CG1 3.29Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.18Å; F37-I40 PolarHBondContact O-N 3.04Å; G38-I40 PolarHBondContact O-N 2.88Å; I40-I42 VanDerWaalsContact C-N 3.35Å; I40-I42 PolarHBondContact O-N 2.79Å; I40-L43 PolarHBondContact O-N 3.12Å; I40-I44 HydrophobicContact CG2-CD1 3.73Å; I40-I44 HydrophobicContact CG2-CG1 4.4Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 3.16Å
41	G	88.9	Confident	83.8	Confident	38 Å²	38	86.8 Å²	86.8	39%	0.392	47%	0.468	S	S	.	.	H	α-helix	trans	-60.5	-42.4	176	0	0	0	0	0	112.7	F37 G38 I44 F45	F37-G41 PolarHBondContact O-N 2.72Å; G38-G41 PolarHBondContact O-N 2.77Å; G41-I44 PolarHBondContact O-N 3.45Å; G41-F45 WeakPolarHBondContact O-CB 3.48Å; G41-F45 PolarHBondContact O-N 3.41Å
42	I	89.3	Confident	83.5	Confident	102 Å²	102	85 Å²	85	52%	0.523	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-44.3	176.5	-68.2	164.1	0	0	0	110.9	G38 C39 I40 F45 I46	G38-I42 VanDerWaalsContact O-CG1 3.25Å; G38-I42 WeakPolarHBondContact O-CG1 3.5Å; G38-I42 PolarHBondContact O-N 2.02Å; C39-I42 PolarHBondContact O-N 3.22Å; I40-I42 VanDerWaalsContact C-N 3.35Å; I40-I42 PolarHBondContact O-N 2.79Å; I42-F45 PolarHBondContact O-N 3.06Å; I42-I46 HydrophobicContact CG2-CD1 3.7Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.37Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.45Å; I42-I46 PolarHBondContact O-N 3.39Å
43	L	88.8	Confident	83.3	Confident	111 Å²	111	88.9 Å²	88.9	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-63.6	-42.6	177.9	-71.7	173.9	0	0	0	111.7	C39 I40 I46 M47	C39-L43 WeakPolarHBondContact O-CB 3.36Å; C39-L43 VanDerWaalsContact O-CG 3.3Å; C39-L43 WeakPolarHBondContact O-CG 3.46Å; C39-L43 PolarHBondContact O-N 2.89Å; I40-L43 PolarHBondContact O-N 3.12Å; L43-I46 PolarHBondContact O-N 2.82Å; L43-M47 WeakPolarHBondContact O-CB 2.98Å; L43-M47 VanDerWaalsContact O-CG 3.25Å; L43-M47 WeakPolarHBondContact O-CG 3.37Å; L43-M47 PolarHBondContact O-N 3.49Å
44	I	87.8	Confident	83	Confident	101 Å²	101	91.4 Å²	91.4	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-44.5	175.2	-68.2	168.4	0	0	0	110.2	I40 G41 I46 M47 T48	I40-I44 HydrophobicContact CG2-CD1 3.73Å; I40-I44 HydrophobicContact CG2-CG1 4.4Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 3.16Å; G41-I44 PolarHBondContact O-N 3.45Å; I44-I46 VanDerWaalsContact C-N 3.34Å; I44-I46 PolarHBondContact O-N 2.71Å; I44-M47 PolarHBondContact O-N 3.17Å; I44-T48 HydrophobicContact CG2-CG2 4.34Å; I44-T48 WeakPolarHBondContact O-CG2 2.98Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.32Å
45	F	88.1	Confident	82	Confident	140 Å²	140	96.3 Å²	96.3	61%	0.614	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-39.9	177.6	-171.7	-99.4	0	0	0	112.3	G41 I42 T48 V49	G41-F45 WeakPolarHBondContact O-CB 3.48Å; G41-F45 PolarHBondContact O-N 3.41Å; I42-F45 PolarHBondContact O-N 3.06Å; F45-T48 WeakPolarHBondContact CA-OG1 3.48Å; F45-T48 PolarHBondContact O-N 3.34Å; F45-T48 PolarHBondContact O-OG1 2.89Å; F45-V49 HydrophobicContact CD1-CG2 4.07Å; F45-V49 HydrophobicContact CE1-CG2 3.77Å; F45-V49 HydrophobicContact CE2-CG2 4.4Å; F45-V49 HydrophobicContact CZ-CG2 3.95Å; F45-V49 WeakPolarHBondContact O-CB 3.38Å; F45-V49 WeakPolarHBondContact O-CG2 3.5Å; F45-V49 PolarHBondContact O-N 3.27Å
46	I	87.1	Confident	81	Confident	75 Å²	75	97.8 Å²	97.8	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-44.1	174.4	-70.2	169.2	0	0	0	110.3	I42 L43 I44 T48 V49 I50	I42-I46 HydrophobicContact CG2-CD1 3.7Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.37Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.45Å; I42-I46 PolarHBondContact O-N 3.39Å; L43-I46 PolarHBondContact O-N 2.82Å; I44-I46 VanDerWaalsContact C-N 3.34Å; I44-I46 PolarHBondContact O-N 2.71Å; I46-T48 PolarHBondContact O-N 3.47Å; I46-V49 PolarHBondContact O-N 3.48Å; I46-I50 HydrophobicContact CG2-CD1 3.45Å; I46-I50 VanDerWaalsContact CG2-CD1 3.45Å; I46-I50 HydrophobicContact CG2-CG1 4.18Å; I46-I50 VanDerWaalsContact O-CB 3.31Å; I46-I50 WeakPolarHBondContact O-CB 3.49Å; I46-I50 WeakPolarHBondContact O-CG1 3.43Å; I46-I50 PolarHBondContact O-N 3.05Å
47	M	83.8	Confident	79.7	Confident	135 Å²	135	102.4 Å²	102.4	67%	0.665	52%	0.521	S	S	*	.	H	α-helix	trans	-66.8	-34.8	178.5	-70	-59.2	-71.4	0	0	112.8	L43 I44 G51	L43-M47 WeakPolarHBondContact O-CB 2.98Å; L43-M47 VanDerWaalsContact O-CG 3.25Å; L43-M47 WeakPolarHBondContact O-CG 3.37Å; L43-M47 PolarHBondContact O-N 3.49Å; I44-M47 PolarHBondContact O-N 3.17Å; M47-G51 WeakPolarHBondContact O-CA 3.28Å; M47-G51 PolarHBondContact O-N 3.19Å
48	T	85.9	Confident	78.5	Confident	72 Å²	72	103.6 Å²	103.6	44%	0.442	53%	0.526	S	S	.	.	H	α-helix	trans	-72.8	-40.2	174	57.6	0	0	0	0	111.5	I44 F45 I46 G51 V52	I44-T48 HydrophobicContact CG2-CG2 4.34Å; I44-T48 WeakPolarHBondContact O-CG2 2.98Å; I44-T48 PolarHBondContact O-N 2.87Å; I44-T48 PolarHBondContact O-OG1 3.32Å; F45-T48 WeakPolarHBondContact CA-OG1 3.48Å; F45-T48 PolarHBondContact O-N 3.34Å; F45-T48 PolarHBondContact O-OG1 2.89Å; I46-T48 PolarHBondContact O-N 3.47Å; T48-G51 PolarHBondContact O-N 3.13Å; T48-V52 VanDerWaalsContact O-CB 3.31Å; T48-V52 WeakPolarHBondContact O-CB 2.94Å; T48-V52 WeakPolarHBondContact O-CG2 3.17Å; T48-V52 PolarHBondContact O-N 3.03Å
49	V	83.9	Confident	76.3	Confident	53 Å²	53	109.6 Å²	109.6	32%	0.321	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-44.6	176.3	171.6	0	0	0	0	111.6	F45 I46 K53	F45-V49 HydrophobicContact CD1-CG2 4.07Å; F45-V49 HydrophobicContact CE1-CG2 3.77Å; F45-V49 HydrophobicContact CE2-CG2 4.4Å; F45-V49 HydrophobicContact CZ-CG2 3.95Å; F45-V49 WeakPolarHBondContact O-CB 3.38Å; F45-V49 WeakPolarHBondContact O-CG2 3.5Å; F45-V49 PolarHBondContact O-N 3.27Å; I46-V49 PolarHBondContact O-N 3.48Å; V49-K53 HydrophobicContact CG1-CD 4.4Å; V49-K53 WeakPolarHBondContact O-CB 3.35Å; V49-K53 VanDerWaalsContact O-CG 3.29Å; V49-K53 WeakPolarHBondContact O-CG 3.44Å; V49-K53 PolarHBondContact O-N 2.98Å
50	I	79	Confident	74.3	Confident	96 Å²	96	111.7 Å²	111.7	49%	0.492	55%	0.553	S	S	.	*	H	α-helix	trans	-65.4	-43.6	175	-67.5	171.6	0	0	0	110	I46 K53 F54	I46-I50 HydrophobicContact CG2-CD1 3.45Å; I46-I50 VanDerWaalsContact CG2-CD1 3.45Å; I46-I50 HydrophobicContact CG2-CG1 4.18Å; I46-I50 VanDerWaalsContact O-CB 3.31Å; I46-I50 WeakPolarHBondContact O-CB 3.49Å; I46-I50 WeakPolarHBondContact O-CG1 3.43Å; I46-I50 PolarHBondContact O-N 3.05Å; I50-K53 PolarHBondContact O-N 3.28Å; I50-F54 VanDerWaalsContact O-CB 3.31Å; I50-F54 WeakPolarHBondContact O-CB 3.44Å; I50-F54 PolarHBondContact O-N 3.4Å
51	G	74.8	Confident	72.1	Confident	20 Å²	20	115.9 Å²	115.9	21%	0.206	57%	0.569	C	S	.	*	H	α-helix	trans	-55.7	-55.7	174.7	0	0	0	0	0	110.9	M47 T48 K53 F54 W55	M47-G51 WeakPolarHBondContact O-CA 3.28Å; M47-G51 PolarHBondContact O-N 3.19Å; T48-G51 PolarHBondContact O-N 3.13Å; G51-K53 VanDerWaalsContact C-N 3.3Å; G51-K53 PolarHBondContact O-N 3.4Å; G51-F54 CarbonylContact O-C 3.48Å; G51-F54 WeakPolarHBondContact O-CA 3.4Å; G51-F54 WeakPolarHBondContact O-CB 3.42Å; G51-F54 PolarHBondContact O-N 3.41Å; G51-W55 VanDerWaalsContact C-CD1 3.45Å; G51-W55 WeakPolarHBondContact O-CB 3.41Å; G51-W55 PolarHBondContact O-N 3.47Å
52	V	70.6	Confident	69.9	Low	98 Å²	98	118 Å²	118	59%	0.594	58%	0.577	S	S	*	*	H	α-helix	trans	-59.3	-39.4	179.2	171	0	0	0	0	111.5	T48 W55 H56	T48-V52 VanDerWaalsContact O-CB 3.31Å; T48-V52 WeakPolarHBondContact O-CB 2.94Å; T48-V52 WeakPolarHBondContact O-CG2 3.17Å; T48-V52 PolarHBondContact O-N 3.03Å; V52-W55 PolarHBondContact O-N 3.33Å; V52-H56 VanDerWaalsContact O-CB 3.3Å; V52-H56 WeakPolarHBondContact O-CB 3.47Å; V52-H56 PolarHBondContact O-N 2.72Å
53	K	70.8	Confident	68.1	Low	152 Å²	152	117.7 Å²	117.7	66%	0.661	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-37.9	173.7	-75.6	-177.8	178.1	-172.2	0	112.7	V49 I50 G51 K57	V49-K53 HydrophobicContact CG1-CD 4.4Å; V49-K53 WeakPolarHBondContact O-CB 3.35Å; V49-K53 VanDerWaalsContact O-CG 3.29Å; V49-K53 WeakPolarHBondContact O-CG 3.44Å; V49-K53 PolarHBondContact O-N 2.98Å; I50-K53 PolarHBondContact O-N 3.28Å; G51-K53 VanDerWaalsContact C-N 3.3Å; G51-K53 PolarHBondContact O-N 3.4Å; K53-K57 WeakPolarHBondContact O-CB 3.47Å; K53-K57 PolarHBondContact O-N 3.01Å
54	F	70.3	Confident	66.8	Low	141 Å²	141	117.1 Å²	117.1	62%	0.618	57%	0.571	S	S	*	*	H	α-helix	trans	-70.7	-40.2	176.2	-176.9	-99.4	0	0	0	111.9	I50 G51 K57 K58	I50-F54 VanDerWaalsContact O-CB 3.31Å; I50-F54 WeakPolarHBondContact O-CB 3.44Å; I50-F54 PolarHBondContact O-N 3.4Å; G51-F54 CarbonylContact O-C 3.48Å; G51-F54 WeakPolarHBondContact O-CA 3.4Å; G51-F54 WeakPolarHBondContact O-CB 3.42Å; G51-F54 PolarHBondContact O-N 3.41Å; F54-K57 PolarHBondContact O-N 3.28Å; F54-K58 PolarHBondContact O-N 3.37Å
55	W	58.6	Low	65.9	Low	182 Å²	182	115.2 Å²	115.2	69%	0.689	56%	0.564	S	S	*	*	H	α-helix	trans	-65.7	-42.1	173.8	-74.3	109.5	0	0	0	111.6	G51 V52 K57 K58	G51-W55 VanDerWaalsContact C-CD1 3.45Å; G51-W55 WeakPolarHBondContact O-CB 3.41Å; G51-W55 PolarHBondContact O-N 3.47Å; V52-W55 PolarHBondContact O-N 3.33Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.28Å; W55-K58 PolarHBondContact O-N 2.9Å; W55-K58 VanDerWaalsContact O-N 3.09Å
56	H	59.2	Low	65.5	Low	122 Å²	122	111.7 Å²	111.7	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-64.3	-37.5	174.5	-165	-59.2	0	0	0	111.5	V52 K58 M59 D60	V52-H56 VanDerWaalsContact O-CB 3.3Å; V52-H56 WeakPolarHBondContact O-CB 3.47Å; V52-H56 PolarHBondContact O-N 2.72Å; H56-K58 PolarHBondContact O-N 3.23Å; H56-K58 VanDerWaalsContact O-N 3.16Å; H56-M59 PolarHBondContact O-N 3.03Å; H56-D60 IonicContact CE1-OD2 3.37Å; H56-D60 PolarHBondContact CE1-OD2 3.32Å; H56-D60 IonicContact ND1-OD2 3.54Å
57	K	56.5	Low	65	Low	188 Å²	188	112.9 Å²	112.9	82%	0.817	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-15.6	175.7	-156.1	177.3	-176.8	-176.3	0	113.1	K53 F54 W55	K53-K57 WeakPolarHBondContact O-CB 3.47Å; K53-K57 PolarHBondContact O-N 3.01Å; F54-K57 PolarHBondContact O-N 3.28Å; W55-K57 VanDerWaalsContact C-N 3.32Å; W55-K57 PolarHBondContact O-N 3.28Å
58	K	60.3	Low	64.7	Low	160 Å²	160	109 Å²	109	70%	0.696	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-7.3	-177.6	-164.8	166.7	-179.4	175.9	0	114.1	F54 W55 H56	F54-K58 PolarHBondContact O-N 3.37Å; W55-K58 PolarHBondContact O-N 2.9Å; W55-K58 VanDerWaalsContact O-N 3.09Å; H56-K58 PolarHBondContact O-N 3.23Å; H56-K58 VanDerWaalsContact O-N 3.16Å
59	M	43.3	Very low	64.1	Low	162 Å²	162	109.5 Å²	109.5	80%	0.798	55%	0.551	S	S	*	*			trans	-135	49.8	179.5	-82.9	-147	-72	0	0	113.8	H56	H56-M59 PolarHBondContact O-N 3.03Å
60	D	44.3	Very low	63.3	Low	117 Å²	117	111.8 Å²	111.8	63%	0.626	56%	0.561	S	S	*	*			trans	-111.1	89.9	153.8	-80.5	-42.2	0	0	0	108.2	H56 S62	H56-D60 IonicContact CE1-OD2 3.37Å; H56-D60 PolarHBondContact CE1-OD2 3.32Å; H56-D60 IonicContact ND1-OD2 3.54Å; D60-S62 PolarHBondContact O-N 2.95Å
61	F	43.4	Very low	62.6	Low	168 Å²	168	112.8 Å²	112.8	74%	0.737	58%	0.576	S	S	*	*			trans	-75.8	64.5	161.6	-171.7	-98.8	0	0	0	108.1	Q63	F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 HydrophobicContact CD1-CG 4.02Å; F61-Q63 HydrophobicContact CD2-CG 4.32Å; F61-Q63 HydrophobicContact CE1-CB 4.32Å; F61-Q63 HydrophobicContact CE1-CG 3.53Å; F61-Q63 HydrophobicContact CE2-CG 3.87Å; F61-Q63 HydrophobicContact CG-CG 4.42Å; F61-Q63 HydrophobicContact CZ-CG 3.5Å; F61-Q63 VanDerWaalsContact CZ-CG 3.5Å; F61-Q63 PolarHBondContact O-N 3.08Å
62	S	41.9	Very low	62.3	Low	82 Å²	82	114.5 Å²	114.5	57%	0.573	59%	0.593	S	S	*	*			trans	-85.4	82.8	165.2	-171.5	0	0	0	0	107.2	D60 N64 N79	D60-S62 PolarHBondContact O-N 2.95Å; S62-N64 PolarHBondContact O-N 3.27Å; S62-N64 VanDerWaalsContact O-N 3.13Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; S62-N79 PolarHBondContact O-ND2 3.37Å
63	Q	51.7	Low	62.4	Low	97 Å²	97	112.7 Å²	112.7	45%	0.453	58%	0.579	S	S	.	*			trans	-67.9	104.9	162.4	-75.8	-172.8	-25.9	0	0	107.3	F61 V65	F61-Q63 VanDerWaalsContact C-N 3.3Å; F61-Q63 HydrophobicContact CD1-CG 4.02Å; F61-Q63 HydrophobicContact CD2-CG 4.32Å; F61-Q63 HydrophobicContact CE1-CB 4.32Å; F61-Q63 HydrophobicContact CE1-CG 3.53Å; F61-Q63 HydrophobicContact CE2-CG 3.87Å; F61-Q63 HydrophobicContact CG-CG 4.42Å; F61-Q63 HydrophobicContact CZ-CG 3.5Å; F61-Q63 VanDerWaalsContact CZ-CG 3.5Å; F61-Q63 PolarHBondContact O-N 3.08Å; Q63-V65 HydrophobicContact CB-CG2 4.03Å
64	N	61.6	Low	63.1	Low	98 Å²	98	107.7 Å²	107.7	52%	0.524	56%	0.559	S	S	.	*			trans	-73.7	139	151.9	-18.3	-62.4	0	0	0	105.3	S62 N79	S62-N64 PolarHBondContact O-N 3.27Å; S62-N64 VanDerWaalsContact O-N 3.13Å; S62-N64 PolarHBondContact OG-OD1 2.88Å; N64-N79 VanDerWaalsContact C-CG 3.49Å; N64-N79 WeakPolarHBondContact CA-OD1 3.33Å; N64-N79 WeakPolarHBondContact CB-OD1 3.24Å; N64-N79 PolarHBondContact N-ND2 3.2Å; N64-N79 PolarHBondContact N-OD1 3.14Å; N64-N79 PolarHBondContact ND2-ND2 3.15Å; N64-N79 VanDerWaalsContact ND2-ND2 3.19Å; N64-N79 PolarHBondContact ND2-OD1 2.85Å; N64-N79 WeakPolarHBondContact O-CA 2.99Å; N64-N79 WeakPolarHBondContact O-CB 3.28Å; N64-N79 PolarHBondContact O-N 2.97Å; N64-N79 PolarHBondContact O-ND2 3.22Å; N64-N79 PolarHBondContact O-OD1 2.86Å
65	V	69.4	Low	63.9	Low	61 Å²	61	103.3 Å²	103.3	37%	0.37	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.8	-167.2	-178.6	0	0	0	0	106.7	Q63 I67 L76 C77	Q63-V65 HydrophobicContact CB-CG2 4.03Å; V65-I67 HydrophobicContact CG1-CG1 4.34Å; V65-L76 HydrophobicContact CG1-CB 3.69Å; V65-L76 HydrophobicContact CG1-CD1 4.39Å; V65-L76 HydrophobicContact CG1-CD2 3.72Å; V65-L76 HydrophobicContact CG1-CG 4.14Å; V65-C77 VanDerWaalsContact CG1-O 3.29Å; V65-C77 WeakPolarHBondContact CG1-O 3.34Å
66	N	78.8	Confident	65.4	Low	67 Å²	67	96.3 Å²	96.3	36%	0.358	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.4	172.7	-168.9	3	0	0	0	108.8	L76 C77 W81	N66-L76 WeakPolarHBondContact O-CA 3.4Å; N66-C77 HydrophobicContact CB-CB 4.45Å; N66-C77 PolarHBondContact N-O 2.99Å; N66-C77 PolarHBondContact O-N 3Å; N66-W81 PolarHBondContact ND2-O 3.06Å
67	I	77.6	Confident	67.1	Low	100 Å²	100	90.6 Å²	90.6	51%	0.513	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	-174.9	-44.5	-164.2	0	0	0	109.4	V65 N74 Y75 L76	V65-I67 HydrophobicContact CG1-CG1 4.34Å; I67-N74 HydrophobicContact CG2-CB 4.41Å; I67-Y75 WeakPolarHBondContact CA-O 3.32Å; I67-L76 HydrophobicContact CB-CD2 3.84Å; I67-L76 HydrophobicContact CD1-CD2 3.63Å; I67-L76 HydrophobicContact CG1-CD2 3.37Å; I67-L76 HydrophobicContact CG2-CD2 3.67Å
68	S	77.2	Confident	68.8	Low	53 Å²	53	82.7 Å²	82.7	37%	0.371	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.9	166.5	-56.9	0	0	0	0	110.8	Y75 L83	S68-Y75 PolarHBondContact N-O 3.3Å; S68-Y75 PolarHBondContact O-N 2.96Å; S68-L83 VanDerWaalsContact CB-CD2 3.44Å; S68-L83 WeakPolarHBondContact OG-CD2 3.24Å
69	S	74	Confident	70.1	Confident	83 Å²	83	77.4 Å²	77.4	58%	0.58	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.2	177.8	179.9	0	0	0	0	109.9	H73	S69-H73 CarbonylContact C-O 3.59Å; S69-H73 VanDerWaalsContact CA-O 3.31Å; S69-H73 WeakPolarHBondContact CA-O 3.31Å
70	L	66.6	Low	72.3	Confident	101 Å²	101	76.4 Å²	76.4	53%	0.529	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.1	173.6	-173.6	73.6	0	0	0	108.5	G72 H73 Y75	L70-G72 VanDerWaalsContact C-N 3.29Å; L70-G72 PolarHBondContact O-N 3.04Å; L70-H73 PolarHBondContact N-O 2.83Å; L70-H73 PolarHBondContact O-N 3.36Å; L70-Y75 HydrophobicContact CB-CD2 4.08Å; L70-Y75 HydrophobicContact CB-CE2 3.82Å; L70-Y75 HydrophobicContact CD2-CE2 4.47Å
71	S	64.8	Low	74.7	Confident	116 Å²	116	71.6 Å²	71.6	81%	0.811	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	38	178.5	-155.5	0	0	0	0	114.7	H73	S71-H73 PolarHBondContact O-N 3.46Å
72	G	67.2	Low	77.1	Confident	56 Å²	56	66.9 Å²	66.9	58%	0.577	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	4.9	-179.7	0	0	0	0	0	114.9	L70	L70-G72 VanDerWaalsContact C-N 3.29Å; L70-G72 PolarHBondContact O-N 3.04Å
73	H	74	Confident	79.6	Confident	61 Å²	61	64.1 Å²	64.1	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.1	170.3	-62.8	-55.4	0	0	0	111.3	S69 L70 S71 Y75 L198	S69-H73 CarbonylContact C-O 3.59Å; S69-H73 VanDerWaalsContact CA-O 3.31Å; S69-H73 WeakPolarHBondContact CA-O 3.31Å; L70-H73 PolarHBondContact N-O 2.83Å; L70-H73 PolarHBondContact O-N 3.36Å; S71-H73 PolarHBondContact O-N 3.46Å; H73-Y75 HydrophobicContact CB-CE2 3.92Å; H73-L198 HydrophobicContact CB-CD1 3.42Å; H73-L198 VanDerWaalsContact CB-CD1 3.42Å; H73-L198 HydrophobicContact CB-CG 4.27Å
74	N	84.1	Confident	81.6	Confident	46 Å²	46	61.1 Å²	61.1	25%	0.246	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.1	174.5	-74.6	-22.5	0	0	0	108.6	I67 T199	I67-N74 HydrophobicContact CG2-CB 4.41Å; N74-T199 WeakPolarHBondContact CB-OG1 3.4Å; N74-T199 PolarHBondContact N-O 3.36Å; N74-T199 VanDerWaalsContact N-O 3.15Å; N74-T199 PolarHBondContact O-N 3Å; N74-T199 PolarHBondContact O-OG1 3.05Å
75	Y	87.7	Confident	83	Confident	50 Å²	50	61.8 Å²	61.8	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.7	174.1	-68.1	-90.3	0	0	0	109.9	I67 S68 L70 H73 L83 A196 I197 L198	I67-Y75 WeakPolarHBondContact CA-O 3.32Å; S68-Y75 PolarHBondContact N-O 3.3Å; S68-Y75 PolarHBondContact O-N 2.96Å; L70-Y75 HydrophobicContact CB-CD2 4.08Å; L70-Y75 HydrophobicContact CB-CE2 3.82Å; L70-Y75 HydrophobicContact CD2-CE2 4.47Å; H73-Y75 HydrophobicContact CB-CE2 3.92Å; Y75-L83 WeakPolarHBondContact O-CD2 3.3Å; Y75-A196 HydrophobicContact CD1-CB 4Å; Y75-I197 WeakPolarHBondContact CA-O 3.31Å; Y75-L198 HydrophobicContact CD1-CD1 3.95Å; Y75-L198 HydrophobicContact CD2-CD1 4.45Å; Y75-L198 HydrophobicContact CE1-CD1 3.38Å; Y75-L198 HydrophobicContact CE2-CD1 3.89Å; Y75-L198 HydrophobicContact CG-CD1 4.48Å
76	L	90.8	Very high	84.1	Confident	34 Å²	34	59.6 Å²	59.6	18%	0.178	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134	-176.4	-56.4	177.8	0	0	0	111.5	V65 N66 I67 I197 T199	V65-L76 HydrophobicContact CG1-CB 3.69Å; V65-L76 HydrophobicContact CG1-CD1 4.39Å; V65-L76 HydrophobicContact CG1-CD2 3.72Å; V65-L76 HydrophobicContact CG1-CG 4.14Å; N66-L76 WeakPolarHBondContact O-CA 3.4Å; I67-L76 HydrophobicContact CB-CD2 3.84Å; I67-L76 HydrophobicContact CD1-CD2 3.63Å; I67-L76 HydrophobicContact CG1-CD2 3.37Å; I67-L76 HydrophobicContact CG2-CD2 3.67Å; L76-I197 HydrophobicContact CB-CB 4.29Å; L76-I197 PolarHBondContact N-O 2.93Å; L76-I197 PolarHBondContact O-N 3.27Å; L76-T199 HydrophobicContact CD1-CG2 3.48Å; L76-T199 VanDerWaalsContact CD1-CG2 3.48Å; L76-T199 HydrophobicContact CG-CG2 4.22Å
77	C	93.6	Very high	84.9	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.4	169.2	-65.6	0	0	0	0	111.4	V65 N66 W81 L83 C88	V65-C77 VanDerWaalsContact CG1-O 3.29Å; V65-C77 WeakPolarHBondContact CG1-O 3.34Å; N66-C77 HydrophobicContact CB-CB 4.45Å; N66-C77 PolarHBondContact N-O 2.99Å; N66-C77 PolarHBondContact O-N 3Å; C77-W81 HydrophobicContact CB-CB 3.97Å; C77-L83 HydrophobicContact CB-CB 4.43Å; C77-C88 WeakPolarHBondContact CA-SG 3.49Å; C77-C88 HydrophobicContact CB-CB 3.75Å; C77-C88 WeakPolarHBondContact CB-SG 3.46Å; C77-C88 WeakPolarHBondContact SG-CA 3.32Å; C77-C88 WeakPolarHBondContact SG-CB 3.29Å; C77-C88 CovalentContact SG-SG 2.02Å; C77-C88 PolarHBondContact SG-SG 3.36Å
78	P	92.4	Very high	85.8	Confident	21 Å²	21	52.6 Å²	52.6	14%	0.136	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	162.6	172.9	-19.2	32.5	0	0	0	111.7	D80 W81	P78-D80 PolarHBondContact O-N 3.01Å; P78-W81 HydrophobicContact CB-CG 4.19Å; P78-W81 HydrophobicContact CG-CD2 4.32Å; P78-W81 HydrophobicContact CG-CG 4.17Å; P78-W81 WeakPolarHBondContact O-CB 3.25Å; P78-W81 PolarHBondContact O-N 2.77Å; P78-W81 VanDerWaalsContact O-N 3.16Å
79	N	87.6	Confident	86.8	Confident	49 Å²	49	50.2 Å²	50.2	26%	0.262	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	136.1	164.8	-98	-28.3	0	0	0	112.4	S62 N64 W81	S62-N79 PolarHBondContact O-ND2 3.37Å; N64-N79 VanDerWaalsContact C-CG 3.49Å; N64-N79 WeakPolarHBondContact CA-OD1 3.33Å; N64-N79 WeakPolarHBondContact CB-OD1 3.24Å; N64-N79 PolarHBondContact N-ND2 3.2Å; N64-N79 PolarHBondContact N-OD1 3.14Å; N64-N79 PolarHBondContact ND2-ND2 3.15Å; N64-N79 VanDerWaalsContact ND2-ND2 3.19Å; N64-N79 PolarHBondContact ND2-OD1 2.85Å; N64-N79 WeakPolarHBondContact O-CA 2.99Å; N64-N79 WeakPolarHBondContact O-CB 3.28Å; N64-N79 PolarHBondContact O-N 2.97Å; N64-N79 PolarHBondContact O-ND2 3.22Å; N64-N79 PolarHBondContact O-OD1 2.86Å; N79-W81 PolarHBondContact O-N 3.26Å
80	D	88.9	Confident	87.9	Confident	141 Å²	141	48.9 Å²	48.9	75%	0.754	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	13.3	176.4	-48.5	-51.2	0	0	0	114.7	P78	P78-D80 PolarHBondContact O-N 3.01Å
81	W	95.1	Very high	89.4	Confident	16 Å²	16	46.7 Å²	46.7	6%	0.061	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-102.3	136.5	168.6	-66	52.1	0	0	0	109.8	N66 C77 P78 N79 C88 Y89 W90 L108 A110 C192 R194	N66-W81 PolarHBondContact ND2-O 3.06Å; C77-W81 HydrophobicContact CB-CB 3.97Å; P78-W81 HydrophobicContact CB-CG 4.19Å; P78-W81 HydrophobicContact CG-CD2 4.32Å; P78-W81 HydrophobicContact CG-CG 4.17Å; P78-W81 WeakPolarHBondContact O-CB 3.25Å; P78-W81 PolarHBondContact O-N 2.77Å; P78-W81 VanDerWaalsContact O-N 3.16Å; N79-W81 PolarHBondContact O-N 3.26Å; W81-C88 HydrophobicContact CB-CB 4.24Å; W81-C88 HydrophobicContact CD2-CB 4.25Å; W81-C88 HydrophobicContact CE3-CB 3.51Å; W81-C88 HydrophobicContact CZ3-CB 4.3Å; W81-Y89 CarbonylContact C-O 3.55Å; W81-Y89 VanDerWaalsContact CA-O 3.24Å; W81-Y89 WeakPolarHBondContact CA-O 3.48Å; W81-W90 AromaticContact CD1-CD1 3.86Å; W81-W90 HydrophobicContact CD2-CB 3.51Å; W81-W90 HydrophobicContact CD2-CG 4.3Å; W81-W90 VanDerWaalsContact CE2-CB 3.44Å; W81-W90 AromaticContact CE2-CG 3.85Å; W81-W90 HydrophobicContact CE3-CB 3.69Å; W81-W90 HydrophobicContact CG-CB 4.03Å; W81-W90 HydrophobicContact CH2-CB 3.81Å; W81-W90 HydrophobicContact CZ2-CB 3.63Å; W81-W90 HydrophobicContact CZ2-CG 4.07Å; W81-W90 HydrophobicContact CZ3-CB 3.84Å; W81-W90 AromaticContact NE1-CD1 3.69Å; W81-W90 AromaticContact NE1-CG 3.85Å; W81-L108 HydrophobicContact CH2-CB 4.34Å; W81-L108 HydrophobicContact CZ2-CB 4.11Å; W81-L108 HydrophobicContact CZ2-CD1 4.1Å; W81-A110 HydrophobicContact CH2-CB 3.69Å; W81-A110 HydrophobicContact CZ3-CB 4.21Å; W81-C192 HydrophobicContact CH2-CB 4.21Å; W81-R194 HydrophobicContact CE3-CG 4.26Å; W81-R194 HydrophobicContact CH2-CG 4.27Å; W81-R194 HydrophobicContact CZ3-CG 3.71Å
82	L	95.3	Very high	90.9	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.9	172.2	-55.1	-175.7	0	0	0	109.2	C88 Y89 F91 F123	L82-C88 CarbonylContact O-C 3.47Å; L82-C88 VanDerWaalsContact O-CA 3.28Å; L82-C88 WeakPolarHBondContact O-CA 3.46Å; L82-Y89 PolarHBondContact N-O 3.24Å; L82-Y89 WeakPolarHBondContact O-CD2 3.3Å; L82-Y89 PolarHBondContact O-N 2.81Å; L82-F91 HydrophobicContact CD1-CD2 4.36Å; L82-F91 HydrophobicContact CD1-CE2 3.73Å; L82-F91 HydrophobicContact CG-CE2 4.36Å; L82-F123 HydrophobicContact CB-CZ 3.94Å; L82-F123 HydrophobicContact CD1-CZ 4.23Å
83	L	94	Very high	92.2	Very high	24 Å²	24	44 Å²	44	13%	0.126	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.5	175.4	173.6	53.2	0	0	0	108.9	S68 Y75 C77 K87 A196	S68-L83 VanDerWaalsContact CB-CD2 3.44Å; S68-L83 WeakPolarHBondContact OG-CD2 3.24Å; Y75-L83 WeakPolarHBondContact O-CD2 3.3Å; C77-L83 HydrophobicContact CB-CB 4.43Å; L83-K87 WeakPolarHBondContact CA-O 3.45Å; L83-K87 WeakPolarHBondContact CD1-O 3.3Å; L83-A196 HydrophobicContact CD1-CB 3.72Å
84	N	94	Very high	93.3	Very high	34 Å²	34	43.8 Å²	43.8	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	129.4	170.2	-179.2	54.1	0	0	0	110.3	G86 K87 Y89 F123	N84-G86 VanDerWaalsContact C-N 3.25Å; N84-G86 PolarHBondContact O-N 3.31Å; N84-G86 VanDerWaalsContact O-N 3.11Å; N84-K87 PolarHBondContact N-O 2.95Å; N84-K87 PolarHBondContact O-N 3.43Å; N84-Y89 HydrophobicContact CB-CD2 4.48Å; N84-Y89 HydrophobicContact CB-CE2 3.8Å; N84-F123 HydrophobicContact CB-CD1 3.76Å; N84-F123 HydrophobicContact CB-CD2 3.84Å; N84-F123 HydrophobicContact CB-CE1 3.55Å; N84-F123 HydrophobicContact CB-CE2 3.63Å; N84-F123 HydrophobicContact CB-CG 3.9Å; N84-F123 HydrophobicContact CB-CZ 3.48Å; N84-F123 VanDerWaalsContact CB-CZ 3.48Å; N84-F123 WeakPolarHBondContact ND2-CG 3.32Å
85	Q	90.8	Very high	93.9	Very high	111 Å²	111	47.7 Å²	47.7	52%	0.519	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	42.1	176.7	-58.9	-174.2	11.6	0	0	115.1	K87	Q85-K87 VanDerWaalsContact C-N 3.31Å; Q85-K87 PolarHBondContact O-N 3.16Å
86	G	91.8	Very high	94.4	Very high	15 Å²	15	48.3 Å²	48.3	16%	0.155	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	11.7	177.9	0	0	0	0	0	114.9	N84 A196	N84-G86 VanDerWaalsContact C-N 3.25Å; N84-G86 PolarHBondContact O-N 3.31Å; N84-G86 VanDerWaalsContact O-N 3.11Å; G86-A196 WeakPolarHBondContact O-CB 3.48Å; G86-A196 PolarHBondContact O-N 3.22Å
87	K	95.5	Very high	94.8	Very high	20 Å²	20	48.2 Å²	48.2	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.6	169.4	-64.5	-178.8	-170	172.3	0	111.3	L83 N84 Q85 Y89 E120 R194	L83-K87 WeakPolarHBondContact CA-O 3.45Å; L83-K87 WeakPolarHBondContact CD1-O 3.3Å; N84-K87 PolarHBondContact N-O 2.95Å; N84-K87 PolarHBondContact O-N 3.43Å; Q85-K87 VanDerWaalsContact C-N 3.31Å; Q85-K87 PolarHBondContact O-N 3.16Å; K87-Y89 HydrophobicContact CB-CE1 4.36Å; K87-Y89 HydrophobicContact CB-CE2 3.75Å; K87-Y89 WeakPolarHBondContact CB-OH 3.43Å; K87-Y89 WeakPolarHBondContact CD-OH 3.41Å; K87-Y89 WeakPolarHBondContact O-CE2 3.18Å; K87-E120 WeakPolarHBondContact CD-OE1 3.34Å; K87-E120 VanDerWaalsContact NZ-CD 3.29Å; K87-E120 IonicContact NZ-OE1 2.72Å; K87-E120 PolarHBondContact NZ-OE1 3.45Å; K87-E120 IonicContact NZ-OE2 3.12Å; K87-E120 PolarHBondContact NZ-OE2 3.4Å; K87-E120 VanDerWaalsContact NZ-OE2 3.12Å; K87-R194 CarbonylContact C-O 3.59Å; K87-R194 WeakPolarHBondContact CA-O 3.29Å
88	C	97.3	Very high	95.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.9	174.6	-55	0	0	0	0	109.8	C77 W81 L82 Q193 R194 A196	C77-C88 WeakPolarHBondContact CA-SG 3.49Å; C77-C88 HydrophobicContact CB-CB 3.75Å; C77-C88 WeakPolarHBondContact CB-SG 3.46Å; C77-C88 WeakPolarHBondContact SG-CA 3.32Å; C77-C88 WeakPolarHBondContact SG-CB 3.29Å; C77-C88 CovalentContact SG-SG 2.02Å; C77-C88 PolarHBondContact SG-SG 3.36Å; W81-C88 HydrophobicContact CB-CB 4.24Å; W81-C88 HydrophobicContact CD2-CB 4.25Å; W81-C88 HydrophobicContact CE3-CB 3.51Å; W81-C88 HydrophobicContact CZ3-CB 4.3Å; L82-C88 CarbonylContact O-C 3.47Å; L82-C88 VanDerWaalsContact O-CA 3.28Å; L82-C88 WeakPolarHBondContact O-CA 3.46Å; C88-Q193 CarbonylContact O-C 3.55Å; C88-Q193 VanDerWaalsContact O-CA 3.25Å; C88-Q193 WeakPolarHBondContact O-CA 3.46Å; C88-R194 HydrophobicContact CB-CG 4.06Å; C88-R194 PolarHBondContact N-O 2.86Å; C88-R194 PolarHBondContact O-N 3.32Å; C88-A196 VanDerWaalsContact SG-CA 3.53Å
89	Y	97.9	Very high	95.4	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.9	-179.8	-50.9	-91.9	0	0	0	111.3	W81 L82 N84 K87 L113 E120 F123 I124 C192 Q193	W81-Y89 CarbonylContact C-O 3.55Å; W81-Y89 VanDerWaalsContact CA-O 3.24Å; W81-Y89 WeakPolarHBondContact CA-O 3.48Å; L82-Y89 PolarHBondContact N-O 3.24Å; L82-Y89 WeakPolarHBondContact O-CD2 3.3Å; L82-Y89 PolarHBondContact O-N 2.81Å; N84-Y89 HydrophobicContact CB-CD2 4.48Å; N84-Y89 HydrophobicContact CB-CE2 3.8Å; K87-Y89 HydrophobicContact CB-CE1 4.36Å; K87-Y89 HydrophobicContact CB-CE2 3.75Å; K87-Y89 WeakPolarHBondContact CB-OH 3.43Å; K87-Y89 WeakPolarHBondContact CD-OH 3.41Å; K87-Y89 WeakPolarHBondContact O-CE2 3.18Å; Y89-L113 HydrophobicContact CD1-CD1 3.61Å; Y89-L113 HydrophobicContact CE1-CD1 3.65Å; Y89-E120 HydrophobicContact CE1-CG 4.49Å; Y89-E120 PolarHBondContact OH-OE1 2.92Å; Y89-F123 HydrophobicContact CD2-CD1 4.41Å; Y89-F123 AromaticContact CD2-CE1 3.54Å; Y89-F123 HydrophobicContact CD2-CE1 3.54Å; Y89-F123 HydrophobicContact CD2-CZ 4.29Å; Y89-F123 HydrophobicContact CE2-CD1 4.2Å; Y89-F123 AromaticContact CE2-CE1 3.71Å; Y89-F123 HydrophobicContact CE2-CE1 3.71Å; Y89-F123 HydrophobicContact CG-CE1 4.13Å; Y89-I124 HydrophobicContact CD1-CD1 3.57Å; Y89-I124 HydrophobicContact CE1-CD1 3.89Å; Y89-I124 HydrophobicContact CG-CD1 3.97Å; Y89-C192 CarbonylContact C-O 3.5Å; Y89-C192 VanDerWaalsContact CA-O 3.3Å; Y89-C192 WeakPolarHBondContact CA-O 3.49Å; Y89-Q193 HydrophobicContact CD1-CB 3.85Å; Y89-Q193 HydrophobicContact CE1-CB 4.09Å
90	W	97.4	Very high	95.9	Very high	56 Å²	56	56.9 Å²	56.9	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.2	177.6	-177.7	72.3	0	0	0	111.4	W81 L108 I191 C192	W81-W90 AromaticContact CD1-CD1 3.86Å; W81-W90 HydrophobicContact CD2-CB 3.51Å; W81-W90 HydrophobicContact CD2-CG 4.3Å; W81-W90 VanDerWaalsContact CE2-CB 3.44Å; W81-W90 AromaticContact CE2-CG 3.85Å; W81-W90 HydrophobicContact CE3-CB 3.69Å; W81-W90 HydrophobicContact CG-CB 4.03Å; W81-W90 HydrophobicContact CH2-CB 3.81Å; W81-W90 HydrophobicContact CZ2-CB 3.63Å; W81-W90 HydrophobicContact CZ2-CG 4.07Å; W81-W90 HydrophobicContact CZ3-CB 3.84Å; W81-W90 AromaticContact NE1-CD1 3.69Å; W81-W90 AromaticContact NE1-CG 3.85Å; W90-L108 HydrophobicContact CD2-CD1 4.2Å; W90-L108 HydrophobicContact CE3-CD1 3.66Å; W90-L108 HydrophobicContact CH2-CD1 4.18Å; W90-L108 HydrophobicContact CZ3-CD1 3.64Å; W90-I191 CarbonylContact O-C 3.56Å; W90-I191 WeakPolarHBondContact O-CA 3.35Å; W90-C192 HydrophobicContact CB-CB 4.4Å; W90-C192 HydrophobicContact CE3-CB 4.27Å; W90-C192 PolarHBondContact N-O 3.26Å; W90-C192 PolarHBondContact O-N 2.9Å
91	F	97.1	Very high	96.4	Very high	54 Å²	54	50.3 Å²	50.3	24%	0.237	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	105.2	-180	-65.1	-103.1	0	0	0	108	L82 I124 L128 I191	L82-F91 HydrophobicContact CD1-CD2 4.36Å; L82-F91 HydrophobicContact CD1-CE2 3.73Å; L82-F91 HydrophobicContact CG-CE2 4.36Å; F91-I124 HydrophobicContact CZ-CD1 4.18Å; F91-L128 HydrophobicContact CD1-CD2 3.77Å; F91-L128 HydrophobicContact CE1-CD2 3.61Å; F91-L128 HydrophobicContact CE1-CG 4Å; F91-I191 HydrophobicContact CD1-CD1 4.01Å; F91-I191 HydrophobicContact CD1-CG1 3.85Å; F91-I191 HydrophobicContact CD1-CG2 4.2Å; F91-I191 HydrophobicContact CE1-CD1 3.77Å; F91-I191 HydrophobicContact CE1-CG1 4.05Å; F91-I191 HydrophobicContact CE1-CG2 4.01Å; F91-I191 HydrophobicContact CZ-CG2 4.19Å
92	S	96.1	Very high	96.5	Very high	8 Å²	8	51.5 Å²	51.5	6%	0.056	26%	0.256	C	S	.	.			trans	-59.8	146.7	-177.9	-178.8	0	0	0	0	111.3	S94 K189 G190	S92-S94 PolarHBondContact OG-N 3.04Å; S92-K189 WeakPolarHBondContact O-CB 3.3Å; S92-K189 VanDerWaalsContact O-CD 3.28Å; S92-K189 WeakPolarHBondContact O-CD 2.98Å; S92-K189 VanDerWaalsContact O-CG 3.32Å; S92-K189 WeakPolarHBondContact O-CG 3.17Å; S92-G190 VanDerWaalsContact CB-O 3.24Å; S92-G190 WeakPolarHBondContact CB-O 3.48Å; S92-G190 PolarHBondContact N-O 3.42Å
93	T	95.1	Very high	96.7	Very high	108 Å²	108	54.1 Å²	54.1	66%	0.663	26%	0.261	S	S	*	.	S	Bend	trans	-94.8	-12.7	175.5	56.3	0	0	0	0	112.9	K189	T93-K189 VanDerWaalsContact O-CE 3.28Å; T93-K189 WeakPolarHBondContact O-CE 3.29Å
94	S	95.9	Very high	96.9	Very high	57 Å²	57	54.1 Å²	54.1	40%	0.399	26%	0.261	S	S	.	.	S	Bend	trans	-98.3	139.9	-176.3	-64.5	0	0	0	0	111.9	S92 K189	S92-S94 PolarHBondContact OG-N 3.04Å; S94-K189 WeakPolarHBondContact O-CA 3.44Å
95	F	98.2	Very high	97.1	Very high	128 Å²	128	52.5 Å²	52.5	56%	0.561	25%	0.252	S	S	*	.			trans	-86.5	121.1	174.3	-67.2	-97.6	0	0	0	109.6	K189	F95-K189 HydrophobicContact CD1-CG 4.46Å; F95-K189 HydrophobicContact CE1-CG 4.4Å; F95-K189 HydrophobicContact CE2-CG 4.49Å; F95-K189 HydrophobicContact CZ-CD 4.35Å; F95-K189 HydrophobicContact CZ-CG 4.42Å
96	K	98.5	Very high	97.4	Very high	62 Å²	62	51 Å²	51	27%	0.27	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-144.5	160.5	-175	-76.9	-176	170.5	-177.2	0	110.7	E100 D104 W135 T187 F188	K96-E100 HydrophobicContact CB-CB 3.89Å; K96-E100 HydrophobicContact CD-CB 4.16Å; K96-E100 HydrophobicContact CG-CB 4.34Å; K96-D104 WeakPolarHBondContact CD-OD2 3.47Å; K96-D104 WeakPolarHBondContact CE-OD2 3.49Å; K96-D104 IonicContact NZ-OD1 2.68Å; K96-D104 PolarHBondContact NZ-OD1 3.36Å; K96-D104 IonicContact NZ-OD2 2.62Å; K96-D104 PolarHBondContact NZ-OD2 3.02Å; K96-W135 PolarHBondContact O-NE1 2.88Å; K96-T187 WeakPolarHBondContact O-CA 3.48Å; K96-F188 PolarHBondContact N-O 3.48Å; K96-F188 PolarHBondContact O-N 3.3Å
97	T	98.8	Very high	97.7	Very high	32 Å²	32	56.6 Å²	56.6	20%	0.196	27%	0.273	C	S	.	.			trans	-61.7	162.6	170.5	62.1	0	0	0	0	110.9	K99 E100 S101 S185 S186 T187	T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 2.96Å; T97-E100 WeakPolarHBondContact CB-OE2 3.43Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.07Å; T97-E100 PolarHBondContact N-OE2 3.46Å; T97-E100 PolarHBondContact O-N 3.38Å; T97-E100 WeakPolarHBondContact OG1-CB 3.26Å; T97-E100 WeakPolarHBondContact OG1-CG 3.06Å; T97-E100 PolarHBondContact OG1-N 2.82Å; T97-E100 PolarHBondContact OG1-OE2 2.95Å; T97-S101 WeakPolarHBondContact O-CB 3.41Å; T97-S101 PolarHBondContact O-N 3.09Å; T97-S101 PolarHBondContact O-OG 3.41Å; T97-S185 WeakPolarHBondContact CG2-O 3.4Å; T97-S186 WeakPolarHBondContact CA-O 3.43Å; T97-T187 HydrophobicContact CG2-CG2 4.32Å
98	W	98.7	Very high	97.7	Very high	36 Å²	36	58.7 Å²	58.7	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-45	178.8	-178	90.4	0	0	0	111.4	E100 S101 Q102 L112 W135 I136 Y139 I150 C171 C184	W98-E100 PolarHBondContact O-N 3.04Å; W98-S101 PolarHBondContact O-N 2.88Å; W98-Q102 PolarHBondContact O-N 2.99Å; W98-L112 HydrophobicContact CD2-CD1 4.2Å; W98-L112 HydrophobicContact CG-CD1 4.33Å; W98-L112 HydrophobicContact CZ2-CD1 4.17Å; W98-W135 HydrophobicContact CB-CD2 4.04Å; W98-W135 HydrophobicContact CB-CE3 4.33Å; W98-W135 HydrophobicContact CB-CG 4.41Å; W98-W135 HydrophobicContact CB-CZ2 4.31Å; W98-W135 AromaticContact CD1-CD2 3.85Å; W98-W135 AromaticContact CD1-CE3 3.7Å; W98-W135 HydrophobicContact CG-CD2 4.38Å; W98-W135 HydrophobicContact CG-CE3 4.43Å; W98-I136 PolarHBondContact NE1-O 3.42Å; W98-Y139 HydrophobicContact CH2-CD1 4.07Å; W98-Y139 HydrophobicContact CH2-CG 4.38Å; W98-Y139 HydrophobicContact CZ2-CD1 4.08Å; W98-Y139 HydrophobicContact CZ2-CG 4.44Å; W98-I150 HydrophobicContact CH2-CG2 3.59Å; W98-I150 HydrophobicContact CZ2-CG2 3.57Å; W98-C171 HydrophobicContact CB-CB 4.08Å; W98-C171 HydrophobicContact CD2-CB 4.45Å; W98-C171 VanDerWaalsContact CD2-SG 3.55Å; W98-C171 HydrophobicContact CG-CB 3.79Å; W98-C184 HydrophobicContact CB-CB 4.27Å; W98-C184 PolarHBondContact N-O 3.29Å; W98-C184 VanDerWaalsContact N-O 3.12Å
99	K	98.5	Very high	97.7	Very high	147 Å²	147	66 Å²	66	64%	0.639	32%	0.319	S	S	*	.	H	α-helix	trans	-65.3	-39.2	179.3	-173.7	174.3	-175.9	174	0	113	T97 R103	T97-K99 VanDerWaalsContact C-N 3.27Å; T97-K99 PolarHBondContact O-N 2.96Å; K99-R103 PolarHBondContact O-N 3.22Å; K99-R103 VanDerWaalsContact O-N 3.08Å
100	E	98.7	Very high	97.7	Very high	72 Å²	72	66.2 Å²	66.2	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-38.2	175.2	-72.8	169.1	143.9	0	0	111.6	K96 T97 W98 Q102 R103 D104	K96-E100 HydrophobicContact CB-CB 3.89Å; K96-E100 HydrophobicContact CD-CB 4.16Å; K96-E100 HydrophobicContact CG-CB 4.34Å; T97-E100 WeakPolarHBondContact CB-OE2 3.43Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.07Å; T97-E100 PolarHBondContact N-OE2 3.46Å; T97-E100 PolarHBondContact O-N 3.38Å; T97-E100 WeakPolarHBondContact OG1-CB 3.26Å; T97-E100 WeakPolarHBondContact OG1-CG 3.06Å; T97-E100 PolarHBondContact OG1-N 2.82Å; T97-E100 PolarHBondContact OG1-OE2 2.95Å; W98-E100 PolarHBondContact O-N 3.04Å; E100-Q102 VanDerWaalsContact C-N 3.35Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 2.03Å; E100-D104 PolarHBondContact O-N 3.16Å
101	S	98.7	Very high	97.7	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-40.9	175	-60	0	0	0	0	111.6	T97 W98 R103 D104 C105	T97-S101 WeakPolarHBondContact O-CB 3.41Å; T97-S101 PolarHBondContact O-N 3.09Å; T97-S101 PolarHBondContact O-OG 3.41Å; W98-S101 PolarHBondContact O-N 2.88Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.97Å; S101-D104 PolarHBondContact O-N 2.85Å; S101-C105 PolarHBondContact O-N 2.88Å; S101-C105 PolarHBondContact O-SG 2.75Å
102	Q	98.6	Very high	97.8	Very high	40 Å²	40	64 Å²	64	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-40.1	172.5	-179.7	58	24.2	0	0	112.1	W98 E100 C105 T106 L112	W98-Q102 PolarHBondContact O-N 2.99Å; E100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-C105 PolarHBondContact O-N 3.32Å; Q102-T106 PolarHBondContact O-N 2.82Å; Q102-T106 PolarHBondContact O-OG1 2.84Å; Q102-L112 HydrophobicContact CB-CD1 3.81Å; Q102-L112 HydrophobicContact CB-CG 4.2Å
103	R	98.6	Very high	97.9	Very high	125 Å²	125	63.6 Å²	63.6	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-48	175.7	-173.1	-171.8	-60.3	131.8	1.3	111.1	K99 E100 S101 C105 T106 E107	K99-R103 PolarHBondContact O-N 3.22Å; K99-R103 VanDerWaalsContact O-N 3.08Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 2.03Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.97Å; R103-C105 VanDerWaalsContact C-N 3.32Å; R103-C105 PolarHBondContact O-N 3.33Å; R103-T106 WeakPolarHBondContact O-CA 3.43Å; R103-T106 VanDerWaalsContact O-CB 3.32Å; R103-T106 WeakPolarHBondContact O-CB 3.39Å; R103-T106 PolarHBondContact O-N 2.82Å; R103-E107 PolarHBondContact O-N 2.93Å
104	D	98.1	Very high	98.1	Very high	25 Å²	25	58.6 Å²	58.6	13%	0.134	28%	0.281	C	S	.	.	H	α-helix	trans	-56.9	-44.7	176	-78.3	19.4	0	0	0	111.8	K96 E100 S101 T106 E107 L108	K96-D104 WeakPolarHBondContact CD-OD2 3.47Å; K96-D104 WeakPolarHBondContact CE-OD2 3.49Å; K96-D104 IonicContact NZ-OD1 2.68Å; K96-D104 PolarHBondContact NZ-OD1 3.36Å; K96-D104 IonicContact NZ-OD2 2.62Å; K96-D104 PolarHBondContact NZ-OD2 3.02Å; E100-D104 PolarHBondContact O-N 3.16Å; S101-D104 PolarHBondContact O-N 2.85Å; D104-T106 VanDerWaalsContact C-N 3.29Å; D104-T106 PolarHBondContact O-N 3.06Å; D104-E107 PolarHBondContact O-N 2.78Å; D104-L108 WeakPolarHBondContact O-CG 3.3Å; D104-L108 PolarHBondContact O-N 2.91Å
105	C	98.3	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-41.9	175.3	-60.6	0	0	0	0	111.1	S101 Q102 R103 E107 L108 Q109 A110 C192	S101-C105 PolarHBondContact O-N 2.88Å; S101-C105 PolarHBondContact O-SG 2.75Å; Q102-C105 PolarHBondContact O-N 3.32Å; R103-C105 VanDerWaalsContact C-N 3.32Å; R103-C105 PolarHBondContact O-N 3.33Å; C105-E107 VanDerWaalsContact C-N 3.32Å; C105-E107 PolarHBondContact O-N 2.86Å; C105-L108 CarbonylContact O-C 3.59Å; C105-L108 WeakPolarHBondContact O-CA 3.24Å; C105-L108 WeakPolarHBondContact O-CB 3.23Å; C105-L108 PolarHBondContact O-N 3.28Å; C105-Q109 PolarHBondContact O-N 2.9Å; C105-A110 CarbonylContact C-O 3.52Å; C105-A110 VanDerWaalsContact C-O 3.25Å; C105-A110 HydrophobicContact CB-CB 4.34Å; C105-A110 CarbonylContact O-C 3.47Å; C105-A110 VanDerWaalsContact O-C 3.3Å; C105-A110 VanDerWaalsContact O-CA 3.3Å; C105-A110 WeakPolarHBondContact O-CA 3.47Å; C105-A110 VanDerWaalsContact O-CB 3.29Å; C105-A110 WeakPolarHBondContact O-CB 3.12Å; C105-A110 PolarHBondContact O-N 3.28Å; C105-A110 VanDerWaalsContact O-O 3.08Å; C105-C192 WeakPolarHBondContact CA-SG 3.37Å; C105-C192 HydrophobicContact CB-CB 3.74Å; C105-C192 WeakPolarHBondContact CB-SG 3.45Å; C105-C192 VanDerWaalsContact SG-CA 3.5Å; C105-C192 WeakPolarHBondContact SG-CB 3.26Å; C105-C192 CovalentContact SG-SG 2.03Å; C105-C192 PolarHBondContact SG-SG 3.13Å
106	T	98.2	Very high	98.1	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-40.7	178	-54.1	0	0	0	0	112	Q102 R103 D104 L108 Q109 A110	Q102-T106 PolarHBondContact O-N 2.82Å; Q102-T106 PolarHBondContact O-OG1 2.84Å; R103-T106 WeakPolarHBondContact O-CA 3.43Å; R103-T106 VanDerWaalsContact O-CB 3.32Å; R103-T106 WeakPolarHBondContact O-CB 3.39Å; R103-T106 PolarHBondContact O-N 2.82Å; D104-T106 VanDerWaalsContact C-N 3.29Å; D104-T106 PolarHBondContact O-N 3.06Å; T106-L108 PolarHBondContact O-N 2.91Å; T106-Q109 PolarHBondContact O-N 3.29Å; T106-A110 WeakPolarHBondContact CA-O 3.31Å; T106-A110 PolarHBondContact N-O 3.45Å
107	E	97.5	Very high	98	Very high	131 Å²	131	55.5 Å²	55.5	61%	0.612	27%	0.265	S	S	*	.	H	α-helix	trans	-61.7	-26.1	175.9	-71	176.8	-170.4	0	0	112.6	R103 D104 C105 Q109	R103-E107 PolarHBondContact O-N 2.93Å; D104-E107 PolarHBondContact O-N 2.78Å; C105-E107 VanDerWaalsContact C-N 3.32Å; C105-E107 PolarHBondContact O-N 2.86Å; E107-Q109 VanDerWaalsContact C-N 3.32Å
108	L	95.6	Very high	97.9	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.335	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	16.5	175	-60.2	171.6	0	0	0	113.4	W81 W90 D104 C105 T106 A110	W81-L108 HydrophobicContact CH2-CB 4.34Å; W81-L108 HydrophobicContact CZ2-CB 4.11Å; W81-L108 HydrophobicContact CZ2-CD1 4.1Å; W90-L108 HydrophobicContact CD2-CD1 4.2Å; W90-L108 HydrophobicContact CE3-CD1 3.66Å; W90-L108 HydrophobicContact CH2-CD1 4.18Å; W90-L108 HydrophobicContact CZ3-CD1 3.64Å; D104-L108 WeakPolarHBondContact O-CG 3.3Å; D104-L108 PolarHBondContact O-N 2.91Å; C105-L108 CarbonylContact O-C 3.59Å; C105-L108 WeakPolarHBondContact O-CA 3.24Å; C105-L108 WeakPolarHBondContact O-CB 3.23Å; C105-L108 PolarHBondContact O-N 3.28Å; T106-L108 PolarHBondContact O-N 2.91Å; L108-A110 HydrophobicContact CB-CB 4.43Å; L108-A110 PolarHBondContact O-N 3.08Å
109	Q	97.1	Very high	97.8	Very high	153 Å²	153	61.6 Å²	61.6	72%	0.715	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.2	-173.7	-58.8	84	13.4	0	0	112.1	C105 T106 E107	C105-Q109 PolarHBondContact O-N 2.9Å; T106-Q109 PolarHBondContact O-N 3.29Å; E107-Q109 VanDerWaalsContact C-N 3.32Å
110	A	97.9	Very high	97.8	Very high	9 Å²	9	54.7 Å²	54.7	7%	0.074	27%	0.268	C	S	.	.			trans	-132.1	-176.6	-178.5	0	0	0	0	0	109.6	W81 C105 T106 L108 C192 Q193 R194	W81-A110 HydrophobicContact CH2-CB 3.69Å; W81-A110 HydrophobicContact CZ3-CB 4.21Å; C105-A110 CarbonylContact C-O 3.52Å; C105-A110 VanDerWaalsContact C-O 3.25Å; C105-A110 HydrophobicContact CB-CB 4.34Å; C105-A110 CarbonylContact O-C 3.47Å; C105-A110 VanDerWaalsContact O-C 3.3Å; C105-A110 VanDerWaalsContact O-CA 3.3Å; C105-A110 WeakPolarHBondContact O-CA 3.47Å; C105-A110 VanDerWaalsContact O-CB 3.29Å; C105-A110 WeakPolarHBondContact O-CB 3.12Å; C105-A110 PolarHBondContact O-N 3.28Å; C105-A110 VanDerWaalsContact O-O 3.08Å; T106-A110 WeakPolarHBondContact CA-O 3.31Å; T106-A110 PolarHBondContact N-O 3.45Å; L108-A110 HydrophobicContact CB-CB 4.43Å; L108-A110 PolarHBondContact O-N 3.08Å; A110-C192 HydrophobicContact CB-CB 4.17Å; A110-Q193 WeakPolarHBondContact CA-O 3.14Å; A110-Q193 VanDerWaalsContact CB-O 3.24Å; A110-Q193 WeakPolarHBondContact CB-O 3.23Å; A110-R194 HydrophobicContact CB-CB 3.92Å; A110-R194 HydrophobicContact CB-CG 4.43Å
111	H	98.6	Very high	97.7	Very high	62 Å²	62	52 Å²	52	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.9	173.3	52	-75.9	0	0	0	108.6	I150 C192 Q193	H111-I150 HydrophobicContact CB-CD1 3.79Å; H111-C192 CarbonylContact O-C 3.3Å; H111-C192 VanDerWaalsContact O-CA 3.26Å; H111-C192 WeakPolarHBondContact O-CA 3.42Å; H111-Q193 PolarHBondContact N-O 3.18Å; H111-Q193 PolarHBondContact ND1-O 3.17Å; H111-Q193 VanDerWaalsContact NE2-CG 3.33Å; H111-Q193 WeakPolarHBondContact NE2-CG 3.47Å; H111-Q193 PolarHBondContact NE2-NE2 3.44Å; H111-Q193 PolarHBondContact O-N 2.98Å
112	L	98.6	Very high	97.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	150.9	170.9	-78.1	170.4	0	0	0	110.3	W98 Q102 V114 W135 I150 I191	W98-L112 HydrophobicContact CD2-CD1 4.2Å; W98-L112 HydrophobicContact CG-CD1 4.33Å; W98-L112 HydrophobicContact CZ2-CD1 4.17Å; Q102-L112 HydrophobicContact CB-CD1 3.81Å; Q102-L112 HydrophobicContact CB-CG 4.2Å; L112-V114 PolarHBondContact O-N 3.4Å; L112-W135 HydrophobicContact CD2-CB 4.15Å; L112-I150 HydrophobicContact CB-CD1 4.1Å; L112-I150 WeakPolarHBondContact O-CD1 3.31Å; L112-I191 CarbonylContact C-O 3.57Å; L112-I191 WeakPolarHBondContact CA-O 3.45Å
113	L	98.7	Very high	97.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.			trans	-51.4	127.4	-176.4	-178.4	80.7	0	0	0	112.1	Y89 I115 I124 I136 G137 W149 I191 Q193	Y89-L113 HydrophobicContact CD1-CD1 3.61Å; Y89-L113 HydrophobicContact CE1-CD1 3.65Å; L113-I115 HydrophobicContact CD2-CD1 3.91Å; L113-I115 HydrophobicContact CD2-CG1 3.71Å; L113-I115 HydrophobicContact CG-CG1 3.95Å; L113-I124 HydrophobicContact CD1-CD1 3.69Å; L113-I124 HydrophobicContact CD1-CG1 3.87Å; L113-I124 HydrophobicContact CD2-CB 4.34Å; L113-I124 HydrophobicContact CD2-CD1 4.28Å; L113-I124 HydrophobicContact CD2-CG1 3.93Å; L113-I124 HydrophobicContact CD2-CG2 3.75Å; L113-I136 HydrophobicContact CB-CB 4.2Å; L113-I136 HydrophobicContact CB-CG2 4.1Å; L113-I136 HydrophobicContact CD2-CB 4.37Å; L113-I136 HydrophobicContact CD2-CG2 3.64Å; L113-I136 HydrophobicContact CG-CG2 4.42Å; L113-G137 WeakPolarHBondContact O-CA 3.28Å; L113-G137 PolarHBondContact O-N 2.86Å; L113-W149 WeakPolarHBondContact O-CZ3 3.19Å; L113-I191 HydrophobicContact CB-CB 4.18Å; L113-I191 HydrophobicContact CB-CG2 4.09Å; L113-I191 HydrophobicContact CD1-CG2 4.37Å; L113-I191 HydrophobicContact CD2-CG2 4.35Å; L113-I191 PolarHBondContact N-O 2.9Å; L113-Q193 HydrophobicContact CD1-CB 4.35Å; L113-Q193 VanDerWaalsContact CD1-OE1 3.22Å
114	V	98.4	Very high	97.6	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.258	C	S	.	.			trans	-119.6	111.9	170.6	175.8	0	0	0	0	107.3	L112 W149 I150 Q193	L112-V114 PolarHBondContact O-N 3.4Å; V114-W149 HydrophobicContact CB-CE3 4.19Å; V114-W149 HydrophobicContact CG1-CB 4.1Å; V114-W149 HydrophobicContact CG1-CD2 3.93Å; V114-W149 HydrophobicContact CG1-CE3 4Å; V114-W149 HydrophobicContact CG1-CG 4Å; V114-W149 HydrophobicContact CG2-CE3 4.14Å; V114-I150 HydrophobicContact CG2-CD1 4.1Å; V114-I150 HydrophobicContact CG2-CG1 3.52Å; V114-Q193 PolarHBondContact O-NE2 3.36Å; V114-Q193 PolarHBondContact O-OE1 2.9Å; V114-Q193 VanDerWaalsContact O-OE1 3.14Å
115	I	98.1	Very high	97.6	Very high	3 Å²	3	52 Å²	52	2%	0.015	26%	0.259	C	S	.	.			trans	-85.5	117.3	-175	-56.4	177.8	0	0	0	108.6	L113 N117 E120 L121 W149 L159 F160 I174	L113-I115 HydrophobicContact CD2-CD1 3.91Å; L113-I115 HydrophobicContact CD2-CG1 3.71Å; L113-I115 HydrophobicContact CG-CG1 3.95Å; I115-N117 WeakPolarHBondContact CG2-O 3.44Å; I115-E120 HydrophobicContact CG2-CB 4.46Å; I115-L121 HydrophobicContact CD1-CD1 3.7Å; I115-L121 HydrophobicContact CG2-CB 3.81Å; I115-L121 HydrophobicContact CG2-CD1 4.45Å; I115-W149 HydrophobicContact CB-CH2 3.77Å; I115-W149 HydrophobicContact CB-CZ2 4.02Å; I115-W149 HydrophobicContact CD1-CH2 4.2Å; I115-W149 HydrophobicContact CG1-CH2 3.86Å; I115-W149 HydrophobicContact CG1-CZ3 4.49Å; I115-L159 HydrophobicContact CB-CD2 4.27Å; I115-L159 HydrophobicContact CG2-CD1 4.44Å; I115-L159 HydrophobicContact CG2-CD2 3.98Å; I115-L159 WeakPolarHBondContact O-CD2 3.19Å; I115-F160 HydrophobicContact CB-CE1 4.46Å; I115-F160 HydrophobicContact CD1-CE1 4.08Å; I115-I174 HydrophobicContact CD1-CD1 3.7Å
116	Q	95.4	Very high	97.5	Very high	121 Å²	121	57.6 Å²	57.6	57%	0.565	29%	0.289	S	S	*	.			trans	-94.4	-27.2	-174.6	-66.4	176.6	-16.3	0	0	113.3	E120	Q116-E120 WeakPolarHBondContact CB-OE2 3.09Å; Q116-E120 PolarHBondContact N-OE2 3.4Å
117	N	96.4	Very high	97.4	Very high	59 Å²	59	55.6 Å²	55.6	32%	0.316	28%	0.279	S	S	.	.	S	Bend	trans	-155.3	173.3	-176.6	61.2	53.8	0	0	0	112.1	I115 D119 E120 L121 L159	I115-N117 WeakPolarHBondContact CG2-O 3.44Å; N117-D119 WeakPolarHBondContact OD1-CB 3.32Å; N117-D119 PolarHBondContact OD1-N 3.17Å; N117-E120 PolarHBondContact O-N 3.44Å; N117-E120 WeakPolarHBondContact OD1-CB 3.16Å; N117-E120 PolarHBondContact OD1-N 2.78Å; N117-L121 PolarHBondContact O-N 2.76Å; N117-L159 VanDerWaalsContact C-CD1 3.43Å
118	L	96.9	Very high	97.3	Very high	98 Å²	98	50.3 Å²	50.3	51%	0.513	25%	0.254	S	S	.	.	H	α-helix	trans	-66.5	-34.4	-177.2	-68.3	172.7	0	0	0	112.9	E120 L121 E122 L159	L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 3.33Å; L118-L121 HydrophobicContact CD2-CD2 4.2Å; L118-L121 WeakPolarHBondContact O-CB 3.19Å; L118-L121 PolarHBondContact O-N 3.03Å; L118-E122 WeakPolarHBondContact O-CB 3.4Å; L118-E122 PolarHBondContact O-N 3.44Å; L118-L159 HydrophobicContact CD2-CD1 4.07Å; L118-L159 WeakPolarHBondContact CD2-O 3.31Å; L118-L159 HydrophobicContact CG-CD1 4.3Å
119	D	97.2	Very high	97	Very high	97 Å²	97	54.4 Å²	54.4	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-65	-40.4	178	-60.5	-10.7	0	0	0	110.9	N117 F123	N117-D119 WeakPolarHBondContact OD1-CB 3.32Å; N117-D119 PolarHBondContact OD1-N 3.17Å; D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 PolarHBondContact O-N 3.29Å
120	E	97.8	Very high	96.6	Very high	3 Å²	3	53.5 Å²	53.5	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-41.5	174.6	-174.9	170.7	-145	0	0	111.3	K87 Y89 I115 Q116 N117 L118 F123 I124	K87-E120 WeakPolarHBondContact CD-OE1 3.34Å; K87-E120 VanDerWaalsContact NZ-CD 3.29Å; K87-E120 IonicContact NZ-OE1 2.72Å; K87-E120 PolarHBondContact NZ-OE1 3.45Å; K87-E120 IonicContact NZ-OE2 3.12Å; K87-E120 PolarHBondContact NZ-OE2 3.4Å; K87-E120 VanDerWaalsContact NZ-OE2 3.12Å; Y89-E120 HydrophobicContact CE1-CG 4.49Å; Y89-E120 PolarHBondContact OH-OE1 2.92Å; I115-E120 HydrophobicContact CG2-CB 4.46Å; Q116-E120 WeakPolarHBondContact CB-OE2 3.09Å; Q116-E120 PolarHBondContact N-OE2 3.4Å; N117-E120 PolarHBondContact O-N 3.44Å; N117-E120 WeakPolarHBondContact OD1-CB 3.16Å; N117-E120 PolarHBondContact OD1-N 2.78Å; L118-E120 VanDerWaalsContact C-N 3.33Å; L118-E120 PolarHBondContact O-N 3.33Å; E120-F123 PolarHBondContact O-N 3.06Å; E120-I124 VanDerWaalsContact O-CG1 3.28Å; E120-I124 WeakPolarHBondContact O-CG1 3.42Å; E120-I124 PolarHBondContact O-N 3.01Å
121	L	97.8	Very high	96.1	Very high	15 Å²	15	56.5 Å²	56.5	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-56.9	-52.2	174	178.5	64.2	0	0	0	111.1	I115 N117 L118 F123 I124 Q125 F160 I174	I115-L121 HydrophobicContact CD1-CD1 3.7Å; I115-L121 HydrophobicContact CG2-CB 3.81Å; I115-L121 HydrophobicContact CG2-CD1 4.45Å; N117-L121 PolarHBondContact O-N 2.76Å; L118-L121 HydrophobicContact CD2-CD2 4.2Å; L118-L121 WeakPolarHBondContact O-CB 3.19Å; L118-L121 PolarHBondContact O-N 3.03Å; L121-F123 PolarHBondContact O-N 3.33Å; L121-I124 PolarHBondContact O-N 2.86Å; L121-Q125 HydrophobicContact CD1-CG 4.25Å; L121-Q125 WeakPolarHBondContact O-CB 3.41Å; L121-Q125 VanDerWaalsContact O-CG 3.32Å; L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.62Å; L121-F160 HydrophobicContact CD1-CD1 3.96Å; L121-F160 HydrophobicContact CD1-CE1 4.26Å; L121-F160 HydrophobicContact CD2-CB 4.39Å; L121-F160 HydrophobicContact CD2-CD1 3.93Å; L121-I174 HydrophobicContact CD1-CD1 3.73Å
122	E	97.4	Very high	95.8	Very high	114 Å²	114	57.6 Å²	57.6	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-44.5	-179.4	178.9	174.2	-164.6	0	0	111.2	L118 I124 Q125 N126	L118-E122 WeakPolarHBondContact O-CB 3.4Å; L118-E122 PolarHBondContact O-N 3.44Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 3.47Å; E122-Q125 PolarHBondContact O-N 2.96Å; E122-N126 VanDerWaalsContact CG-ND2 3.31Å; E122-N126 WeakPolarHBondContact CG-ND2 3.48Å; E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.36Å; E122-N126 VanDerWaalsContact O-CG 3.26Å; E122-N126 PolarHBondContact O-N 2.81Å; E122-N126 PolarHBondContact O-ND2 2.93Å
123	F	97.6	Very high	95.7	Very high	45 Å²	45	61.4 Å²	61.4	20%	0.197	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-46.4	176.5	169.7	-100.8	0	0	0	112.2	L82 N84 Y89 D119 E120 L121 S127	L82-F123 HydrophobicContact CB-CZ 3.94Å; L82-F123 HydrophobicContact CD1-CZ 4.23Å; N84-F123 HydrophobicContact CB-CD1 3.76Å; N84-F123 HydrophobicContact CB-CD2 3.84Å; N84-F123 HydrophobicContact CB-CE1 3.55Å; N84-F123 HydrophobicContact CB-CE2 3.63Å; N84-F123 HydrophobicContact CB-CG 3.9Å; N84-F123 HydrophobicContact CB-CZ 3.48Å; N84-F123 VanDerWaalsContact CB-CZ 3.48Å; N84-F123 WeakPolarHBondContact ND2-CG 3.32Å; Y89-F123 HydrophobicContact CD2-CD1 4.41Å; Y89-F123 AromaticContact CD2-CE1 3.54Å; Y89-F123 HydrophobicContact CD2-CE1 3.54Å; Y89-F123 HydrophobicContact CD2-CZ 4.29Å; Y89-F123 HydrophobicContact CE2-CD1 4.2Å; Y89-F123 AromaticContact CE2-CE1 3.71Å; Y89-F123 HydrophobicContact CE2-CE1 3.71Å; Y89-F123 HydrophobicContact CG-CE1 4.13Å; D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 PolarHBondContact O-N 3.29Å; E120-F123 PolarHBondContact O-N 3.06Å; L121-F123 PolarHBondContact O-N 3.33Å; F123-S127 WeakPolarHBondContact O-CB 3.32Å; F123-S127 PolarHBondContact O-N 3.25Å; F123-S127 PolarHBondContact O-OG 3.31Å
124	I	98.1	Very high	95.7	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-44.4	179.9	-65.3	-65.2	0	0	0	111.1	Y89 F91 L113 E120 L121 E122 N126 S127 L128 I174 I191	Y89-I124 HydrophobicContact CD1-CD1 3.57Å; Y89-I124 HydrophobicContact CE1-CD1 3.89Å; Y89-I124 HydrophobicContact CG-CD1 3.97Å; F91-I124 HydrophobicContact CZ-CD1 4.18Å; L113-I124 HydrophobicContact CD1-CD1 3.69Å; L113-I124 HydrophobicContact CD1-CG1 3.87Å; L113-I124 HydrophobicContact CD2-CB 4.34Å; L113-I124 HydrophobicContact CD2-CD1 4.28Å; L113-I124 HydrophobicContact CD2-CG1 3.93Å; L113-I124 HydrophobicContact CD2-CG2 3.75Å; E120-I124 VanDerWaalsContact O-CG1 3.28Å; E120-I124 WeakPolarHBondContact O-CG1 3.42Å; E120-I124 PolarHBondContact O-N 3.01Å; L121-I124 PolarHBondContact O-N 2.86Å; E122-I124 VanDerWaalsContact C-N 3.34Å; E122-I124 PolarHBondContact O-N 3.47Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 2.68Å; I124-S127 PolarHBondContact O-N 2.9Å; I124-S127 VanDerWaalsContact O-N 3.16Å; I124-L128 PolarHBondContact O-N 2.97Å; I124-I174 HydrophobicContact CG2-CD1 4.02Å; I124-I174 HydrophobicContact CG2-CG2 4.3Å; I124-I191 HydrophobicContact CG2-CD1 4.29Å
125	Q	97.5	Very high	95.7	Very high	35 Å²	35	61.3 Å²	61.3	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-43.2	178.6	-73.5	-174.2	-27.5	0	0	111.8	L121 E122 S127 L128 I174 G176 K177	L121-Q125 HydrophobicContact CD1-CG 4.25Å; L121-Q125 WeakPolarHBondContact O-CB 3.41Å; L121-Q125 VanDerWaalsContact O-CG 3.32Å; L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.62Å; E122-Q125 PolarHBondContact O-N 2.96Å; Q125-S127 VanDerWaalsContact C-N 3.29Å; Q125-S127 PolarHBondContact O-N 2.83Å; Q125-L128 PolarHBondContact O-N 3.37Å; Q125-I174 HydrophobicContact CG-CD1 4.03Å; Q125-I174 HydrophobicContact CG-CG1 4.37Å; Q125-G176 WeakPolarHBondContact O-CA 3.32Å; Q125-K177 VanDerWaalsContact NE2-C 3.25Å; Q125-K177 PolarHBondContact NE2-O 2.96Å
126	N	96.9	Very high	95.7	Very high	118 Å²	118	61.1 Å²	61.1	63%	0.631	33%	0.329	S	S	*	.	H	α-helix	trans	-70.4	-25	177.4	-71.5	-25.2	0	0	0	113.1	E122 I124 L128	E122-N126 VanDerWaalsContact CG-ND2 3.31Å; E122-N126 WeakPolarHBondContact CG-ND2 3.48Å; E122-N126 VanDerWaalsContact O-CB 3.31Å; E122-N126 WeakPolarHBondContact O-CB 3.36Å; E122-N126 VanDerWaalsContact O-CG 3.26Å; E122-N126 PolarHBondContact O-N 2.81Å; E122-N126 PolarHBondContact O-ND2 2.93Å; I124-N126 VanDerWaalsContact C-N 3.33Å; I124-N126 PolarHBondContact O-N 2.68Å; N126-L128 VanDerWaalsContact C-N 3.34Å
127	S	96.1	Very high	95.9	Very high	38 Å²	38	55.4 Å²	55.4	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-78.1	-18.8	176.8	-62.8	0	0	0	0	113.1	F123 I124 Q125	F123-S127 WeakPolarHBondContact O-CB 3.32Å; F123-S127 PolarHBondContact O-N 3.25Å; F123-S127 PolarHBondContact O-OG 3.31Å; I124-S127 PolarHBondContact O-N 2.9Å; I124-S127 VanDerWaalsContact O-N 3.16Å; Q125-S127 VanDerWaalsContact C-N 3.29Å; Q125-S127 PolarHBondContact O-N 2.83Å
128	L	95.2	Very high	95.9	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.099	29%	0.287	C	S	.	.	S	Bend	trans	-80.8	125.2	176.5	-71.8	166.8	0	0	0	110.9	F91 I124 Q125 N126 H132 I174 I191	F91-L128 HydrophobicContact CD1-CD2 3.77Å; F91-L128 HydrophobicContact CE1-CD2 3.61Å; F91-L128 HydrophobicContact CE1-CG 4Å; I124-L128 PolarHBondContact O-N 2.97Å; Q125-L128 PolarHBondContact O-N 3.37Å; N126-L128 VanDerWaalsContact C-N 3.34Å; L128-H132 HydrophobicContact CD2-CB 4.32Å; L128-I174 HydrophobicContact CD1-CG1 4.46Å; L128-I174 HydrophobicContact CD1-CG2 4.07Å; L128-I191 HydrophobicContact CD2-CD1 4.23Å
129	K	90.4	Very high	96	Very high	151 Å²	151	51 Å²	51	66%	0.657	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-64.6	151.1	171.8	-67.4	-177.1	-179.2	-178.7	0	110.6	G131 H132	K129-G131 PolarHBondContact O-N 2.91Å; K129-H132 HydrophobicContact CB-CB 4.48Å; K129-H132 VanDerWaalsContact O-CB 3.26Å; K129-H132 WeakPolarHBondContact O-CB 3.25Å; K129-H132 PolarHBondContact O-N 2.91Å
130	P	88.1	Confident	96	Very high	133 Å²	133	46.6 Å²	46.6	86%	0.864	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.9	174.7	-27.3	35	0	0	0	112.1	H132	P130-H132 VanDerWaalsContact C-N 3.26Å; P130-H132 PolarHBondContact O-N 2.87Å
131	G	87.6	Confident	95.8	Very high	72 Å²	72	47.5 Å²	47.5	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1.4	-176.8	0	0	0	0	0	115.2	K129	K129-G131 PolarHBondContact O-N 2.91Å
132	H	92.3	Very high	95.1	Very high	85 Å²	85	53.8 Å²	53.8	39%	0.394	28%	0.284	S	S	.	.			trans	-92.5	144.1	171	-70.3	-121	0	0	0	111.1	L128 K129 P130	L128-H132 HydrophobicContact CD2-CB 4.32Å; K129-H132 HydrophobicContact CB-CB 4.48Å; K129-H132 VanDerWaalsContact O-CB 3.26Å; K129-H132 WeakPolarHBondContact O-CB 3.25Å; K129-H132 PolarHBondContact O-N 2.91Å; P130-H132 VanDerWaalsContact C-N 3.26Å; P130-H132 PolarHBondContact O-N 2.87Å
133	F	96	Very high	94.2	Very high	80 Å²	80	59.5 Å²	59.5	35%	0.351	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.8	178.2	55.8	-82.7	0	0	0	109.1	V173 I174 T175 F188	F133-V173 HydrophobicContact CD2-CB 4.46Å; F133-V173 HydrophobicContact CD2-CG2 4.5Å; F133-I174 WeakPolarHBondContact CA-O 3.34Å; F133-I174 VanDerWaalsContact CB-O 3.23Å; F133-I174 WeakPolarHBondContact CB-O 3.18Å; F133-T175 HydrophobicContact CB-CG2 3.88Å; F133-F188 HydrophobicContact CD2-CD1 4.17Å; F133-F188 HydrophobicContact CD2-CG 4.39Å; F133-F188 AromaticContact CE2-CD1 3.33Å; F133-F188 HydrophobicContact CE2-CD1 3.33Å; F133-F188 AromaticContact CE2-CE1 3.47Å; F133-F188 HydrophobicContact CE2-CE1 3.47Å; F133-F188 VanDerWaalsContact CE2-CE1 3.47Å; F133-F188 AromaticContact CE2-CG 3.96Å; F133-F188 HydrophobicContact CE2-CG 3.96Å; F133-F188 HydrophobicContact CE2-CZ 4.19Å; F133-F188 HydrophobicContact CZ-CD1 4.09Å; F133-F188 HydrophobicContact CZ-CE1 4.09Å
134	G	97.8	Very high	93.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	161.8	-179	0	0	0	0	0	114.1	V173 I174 K189	G134-V173 CarbonylContact O-C 3.33Å; G134-V173 VanDerWaalsContact O-CA 3.25Å; G134-V173 WeakPolarHBondContact O-CA 3.38Å; G134-I174 PolarHBondContact N-O 3.26Å; G134-I174 VanDerWaalsContact N-O 3.15Å; G134-I174 PolarHBondContact O-N 3.34Å; G134-K189 CarbonylContact C-O 3.25Å; G134-K189 WeakPolarHBondContact CA-O 3.25Å
135	W	98.8	Very high	92.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137.6	174.7	-66.6	126.4	0	0	0	111.1	K96 W98 L112 C171 V173 E182 D183 S186 F188 K189 I191	K96-W135 PolarHBondContact O-NE1 2.88Å; W98-W135 HydrophobicContact CB-CD2 4.04Å; W98-W135 HydrophobicContact CB-CE3 4.33Å; W98-W135 HydrophobicContact CB-CG 4.41Å; W98-W135 HydrophobicContact CB-CZ2 4.31Å; W98-W135 AromaticContact CD1-CD2 3.85Å; W98-W135 AromaticContact CD1-CE3 3.7Å; W98-W135 HydrophobicContact CG-CD2 4.38Å; W98-W135 HydrophobicContact CG-CE3 4.43Å; L112-W135 HydrophobicContact CD2-CB 4.15Å; W135-C171 HydrophobicContact CE3-CB 4.03Å; W135-C171 HydrophobicContact CH2-CB 4.13Å; W135-C171 HydrophobicContact CZ3-CB 3.54Å; W135-V173 HydrophobicContact CD2-CG1 3.91Å; W135-V173 HydrophobicContact CE3-CG1 3.32Å; W135-V173 HydrophobicContact CH2-CG1 4.12Å; W135-V173 HydrophobicContact CZ3-CG1 3.42Å; W135-V173 VanDerWaalsContact CZ3-CG1 3.42Å; W135-E182 HydrophobicContact CH2-CB 3.7Å; W135-E182 HydrophobicContact CZ3-CB 3.89Å; W135-D183 WeakPolarHBondContact CH2-O 3.45Å; W135-S186 WeakPolarHBondContact CZ2-O 2.93Å; W135-F188 HydrophobicContact CD2-CB 4.31Å; W135-F188 HydrophobicContact CD2-CD2 4.04Å; W135-F188 AromaticContact CE2-CD2 3.47Å; W135-F188 VanDerWaalsContact CE2-CD2 3.47Å; W135-F188 HydrophobicContact CE3-CD2 4.32Å; W135-F188 HydrophobicContact CG-CB 4.33Å; W135-F188 AromaticContact CH2-CD2 3.53Å; W135-F188 HydrophobicContact CH2-CD2 3.53Å; W135-F188 AromaticContact CH2-CE2 3.72Å; W135-F188 HydrophobicContact CH2-CE2 3.72Å; W135-F188 HydrophobicContact CZ2-CB 4.47Å; W135-F188 AromaticContact CZ2-CD2 3.21Å; W135-F188 HydrophobicContact CZ2-CD2 3.21Å; W135-F188 AromaticContact CZ2-CE2 3.74Å; W135-F188 HydrophobicContact CZ2-CE2 3.74Å; W135-F188 HydrophobicContact CZ2-CG 4.21Å; W135-F188 HydrophobicContact CZ3-CD2 4.08Å; W135-F188 HydrophobicContact CZ3-CE2 4.43Å; W135-K189 PolarHBondContact N-O 2.93Å; W135-I191 PolarHBondContact O-N 3.41Å
136	I	98.8	Very high	92.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	166.9	167.5	65.8	177.6	0	0	0	108.9	W98 L113 L138 W149 A172 I174 V179	W98-I136 PolarHBondContact NE1-O 3.42Å; L113-I136 HydrophobicContact CB-CB 4.2Å; L113-I136 HydrophobicContact CB-CG2 4.1Å; L113-I136 HydrophobicContact CD2-CB 4.37Å; L113-I136 HydrophobicContact CD2-CG2 3.64Å; L113-I136 HydrophobicContact CG-CG2 4.42Å; I136-L138 HydrophobicContact CD1-CB 4.04Å; I136-L138 HydrophobicContact CG1-CB 3.95Å; I136-L138 PolarHBondContact O-N 2.77Å; I136-W149 HydrophobicContact CB-CZ3 4.49Å; I136-W149 HydrophobicContact CD1-CH2 3.91Å; I136-W149 HydrophobicContact CD1-CZ3 3.97Å; I136-W149 HydrophobicContact CG1-CZ3 4.28Å; I136-A172 HydrophobicContact CD1-CB 3.95Å; I136-A172 HydrophobicContact CG1-CB 3.8Å; I136-A172 WeakPolarHBondContact CG1-O 3.28Å; I136-A172 PolarHBondContact N-O 2.89Å; I136-A172 VanDerWaalsContact N-O 3.13Å; I136-I174 HydrophobicContact CG2-CB 3.82Å; I136-I174 HydrophobicContact CG2-CG2 3.31Å; I136-V179 HydrophobicContact CD1-CG1 4.05Å
137	G	98.5	Very high	92.7	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	31	-177.3	0	0	0	0	0	114	L113 W149 I150	L113-G137 WeakPolarHBondContact O-CA 3.28Å; L113-G137 PolarHBondContact O-N 2.86Å; G137-W149 CarbonylContact O-C 3.6Å; G137-W149 VanDerWaalsContact O-CA 3.3Å; G137-W149 WeakPolarHBondContact O-CA 3.47Å; G137-I150 WeakPolarHBondContact O-CG2 3.32Å; G137-I150 PolarHBondContact O-N 3.46Å
138	L	98.3	Very high	92.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.7	-179	-168.1	77.6	0	0	0	109.9	I136 W147 W149 L155 F160 V162 A172	I136-L138 HydrophobicContact CD1-CB 4.04Å; I136-L138 HydrophobicContact CG1-CB 3.95Å; I136-L138 PolarHBondContact O-N 2.77Å; L138-W147 HydrophobicContact CD1-CB 4.2Å; L138-W147 HydrophobicContact CD2-CB 4.3Å; L138-W147 HydrophobicContact CD2-CD2 4.09Å; L138-W147 HydrophobicContact CD2-CE3 3.78Å; L138-W147 HydrophobicContact CD2-CG 4.35Å; L138-W147 HydrophobicContact CD2-CZ3 4.41Å; L138-W147 HydrophobicContact CG-CB 4.33Å; L138-W147 HydrophobicContact CG-CD2 4.36Å; L138-W147 HydrophobicContact CG-CE3 3.69Å; L138-W147 HydrophobicContact CG-CZ3 4.38Å; L138-W149 HydrophobicContact CB-CD2 4.28Å; L138-W149 HydrophobicContact CB-CE3 3.7Å; L138-W149 HydrophobicContact CB-CH2 4.15Å; L138-W149 HydrophobicContact CB-CZ3 3.63Å; L138-W149 HydrophobicContact CD1-CD2 3.39Å; L138-W149 HydrophobicContact CD1-CE3 3.74Å; L138-W149 HydrophobicContact CD1-CG 3.76Å; L138-W149 HydrophobicContact CD1-CH2 4.29Å; L138-W149 HydrophobicContact CD1-CZ2 4Å; L138-W149 HydrophobicContact CD1-CZ3 4.18Å; L138-W149 HydrophobicContact CG-CD2 4.41Å; L138-W149 HydrophobicContact CG-CE3 4.31Å; L138-W149 HydrophobicContact CG-CZ3 4.39Å; L138-L155 HydrophobicContact CD1-CB 4.13Å; L138-L155 HydrophobicContact CD2-CD2 4.09Å; L138-F160 HydrophobicContact CD2-CE2 4.07Å; L138-F160 HydrophobicContact CD2-CZ 4.28Å; L138-V162 HydrophobicContact CD2-CG2 3.79Å; L138-A172 HydrophobicContact CB-CB 3.8Å; L138-A172 HydrophobicContact CD2-CB 3.9Å; L138-A172 HydrophobicContact CG-CB 4.25Å; L138-A172 PolarHBondContact O-N 2.97Å
139	Y	97.9	Very high	92.9	Very high	66 Å²	66	61.2 Å²	61.2	26%	0.259	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.2	-176.9	69.1	-79.9	0	0	0	111	W98 T141 W147 M148 I150	W98-Y139 HydrophobicContact CH2-CD1 4.07Å; W98-Y139 HydrophobicContact CH2-CG 4.38Å; W98-Y139 HydrophobicContact CZ2-CD1 4.08Å; W98-Y139 HydrophobicContact CZ2-CG 4.44Å; Y139-T141 HydrophobicContact CE2-CG2 4.32Å; Y139-W147 WeakPolarHBondContact O-CA 3.07Å; Y139-M148 WeakPolarHBondContact CD1-O 3.35Å; Y139-M148 HydrophobicContact CE1-CB 4.35Å; Y139-M148 HydrophobicContact CE1-CG 4.35Å; Y139-M148 WeakPolarHBondContact CE1-O 3.37Å; Y139-M148 PolarHBondContact N-O 3.46Å; Y139-M148 PolarHBondContact O-N 3.49Å; Y139-M148 PolarHBondContact OH-SD 3.22Å; Y139-M148 VanDerWaalsContact OH-SD 3.4Å; Y139-I150 HydrophobicContact CD1-CG2 4.18Å; Y139-I150 HydrophobicContact CE1-CG2 4.15Å
140	V	97.2	Very high	93.3	Very high	4 Å²	4	56 Å²	56	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.9	176	178	0	0	0	0	110.8	W147 D167 S170	V140-W147 HydrophobicContact CG2-CD2 3.76Å; V140-W147 HydrophobicContact CG2-CE3 3.65Å; V140-W147 HydrophobicContact CG2-CH2 3.63Å; V140-W147 HydrophobicContact CG2-CZ2 3.66Å; V140-W147 HydrophobicContact CG2-CZ3 3.62Å; V140-D167 WeakPolarHBondContact CB-O 3.36Å; V140-D167 WeakPolarHBondContact CG1-O 3.43Å; V140-S170 PolarHBondContact N-O 3.15Å
141	T	93.4	Very high	93.6	Very high	22 Å²	22	52.7 Å²	52.7	14%	0.135	27%	0.27	C	S	.	.			trans	-76.6	131.1	178.3	52.1	0	0	0	0	112.7	Y139 R143 G144 N145 L146 M148	Y139-T141 HydrophobicContact CE2-CG2 4.32Å; T141-R143 PolarHBondContact O-N 3.41Å; T141-G144 PolarHBondContact O-N 3.02Å; T141-N145 PolarHBondContact O-N 2.82Å; T141-L146 PolarHBondContact N-O 2.84Å; T141-L146 PolarHBondContact OG1-N 3.23Å; T141-L146 PolarHBondContact OG1-O 2.9Å; T141-M148 HydrophobicContact CG2-CB 3.63Å; T141-M148 HydrophobicContact CG2-CE 3.78Å; T141-M148 HydrophobicContact CG2-CG 4.33Å; T141-M148 HydrophobicContact CG2-SD 3.79Å
142	F	83	Confident	94	Very high	146 Å²	146	57 Å²	57	64%	0.64	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.6	-175.5	-179.6	-99.8	0	0	0	115.9	D168	F142-D168 HydrophobicContact CB-CB 4.32Å; F142-D168 HydrophobicContact CD2-CB 3.71Å; F142-D168 WeakPolarHBondContact CD2-OD2 3.35Å; F142-D168 HydrophobicContact CE2-CB 4.48Å; F142-D168 WeakPolarHBondContact CE2-OD2 3.5Å; F142-D168 HydrophobicContact CG-CB 4.39Å
143	R	79.2	Confident	94.2	Very high	234 Å²	234	58.6 Å²	58.6	88%	0.883	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-18.3	-178.1	-62.6	-170.4	176.3	176	-1.4	114.6	T141	T141-R143 PolarHBondContact O-N 3.41Å
144	G	78.1	Confident	94.2	Very high	40 Å²	40	60.2 Å²	60.2	41%	0.412	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-23.3	-175.6	0	0	0	0	0	113.1	T141 L146	T141-G144 PolarHBondContact O-N 3.02Å; G144-L146 WeakPolarHBondContact O-CG 3.08Å; G144-L146 PolarHBondContact O-N 2.96Å
145	N	89.3	Confident	94.2	Very high	91 Å²	91	61.5 Å²	61.5	49%	0.487	29%	0.291	S	S	.	.			trans	50.3	30.9	-164.2	-61.9	-19.6	0	0	0	111.9	T141 T166	T141-N145 PolarHBondContact O-N 2.82Å; N145-T166 WeakPolarHBondContact CB-O 3.18Å
146	L	94.4	Very high	93.9	Very high	92 Å²	92	65.2 Å²	65.2	48%	0.482	31%	0.314	S	S	.	.			trans	-108	142.9	179.4	-63.5	177.9	0	0	0	109.8	T141 G144 F154	T141-L146 PolarHBondContact N-O 2.84Å; T141-L146 PolarHBondContact OG1-N 3.23Å; T141-L146 PolarHBondContact OG1-O 2.9Å; G144-L146 WeakPolarHBondContact O-CG 3.08Å; G144-L146 PolarHBondContact O-N 2.96Å; L146-F154 HydrophobicContact CB-CD1 4.08Å; L146-F154 HydrophobicContact CB-CE1 3.98Å; L146-F154 HydrophobicContact CD1-CD1 4.22Å; L146-F154 HydrophobicContact CD1-CE1 3.82Å; L146-F154 HydrophobicContact CD1-CZ 4.44Å
147	W	97.1	Very high	93.5	Very high	28 Å²	28	70 Å²	70	11%	0.106	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.4	171.8	-71.2	108	0	0	0	110.8	L138 Y139 V140 L155 V162 T166 A172 S181	L138-W147 HydrophobicContact CD1-CB 4.2Å; L138-W147 HydrophobicContact CD2-CB 4.3Å; L138-W147 HydrophobicContact CD2-CD2 4.09Å; L138-W147 HydrophobicContact CD2-CE3 3.78Å; L138-W147 HydrophobicContact CD2-CG 4.35Å; L138-W147 HydrophobicContact CD2-CZ3 4.41Å; L138-W147 HydrophobicContact CG-CB 4.33Å; L138-W147 HydrophobicContact CG-CD2 4.36Å; L138-W147 HydrophobicContact CG-CE3 3.69Å; L138-W147 HydrophobicContact CG-CZ3 4.38Å; Y139-W147 WeakPolarHBondContact O-CA 3.07Å; V140-W147 HydrophobicContact CG2-CD2 3.76Å; V140-W147 HydrophobicContact CG2-CE3 3.65Å; V140-W147 HydrophobicContact CG2-CH2 3.63Å; V140-W147 HydrophobicContact CG2-CZ2 3.66Å; V140-W147 HydrophobicContact CG2-CZ3 3.62Å; W147-L155 HydrophobicContact CB-CB 3.75Å; W147-L155 HydrophobicContact CB-CD2 4.05Å; W147-L155 HydrophobicContact CG-CD2 4.3Å; W147-L155 PolarHBondContact O-N 2.78Å; W147-V162 HydrophobicContact CD2-CB 4.43Å; W147-V162 HydrophobicContact CD2-CG2 4Å; W147-V162 HydrophobicContact CG-CG2 4.24Å; W147-V162 HydrophobicContact CH2-CG1 3.85Å; W147-V162 HydrophobicContact CZ2-CB 3.81Å; W147-V162 HydrophobicContact CZ2-CG1 3.37Å; W147-V162 HydrophobicContact CZ2-CG2 4.18Å; W147-T166 HydrophobicContact CZ2-CG2 4.36Å; W147-A172 HydrophobicContact CH2-CB 4.3Å; W147-A172 HydrophobicContact CZ3-CB 3.9Å; W147-S181 WeakPolarHBondContact CH2-OG 3.15Å
148	M	97.2	Very high	93.3	Very high	31 Å²	31	77.3 Å²	77.3	15%	0.153	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.3	179.2	-178.2	176.5	-75.9	0	0	109.2	Y139 T141 F154	Y139-M148 WeakPolarHBondContact CD1-O 3.35Å; Y139-M148 HydrophobicContact CE1-CB 4.35Å; Y139-M148 HydrophobicContact CE1-CG 4.35Å; Y139-M148 WeakPolarHBondContact CE1-O 3.37Å; Y139-M148 PolarHBondContact N-O 3.46Å; Y139-M148 PolarHBondContact O-N 3.49Å; Y139-M148 PolarHBondContact OH-SD 3.22Å; Y139-M148 VanDerWaalsContact OH-SD 3.4Å; T141-M148 HydrophobicContact CG2-CB 3.63Å; T141-M148 HydrophobicContact CG2-CE 3.78Å; T141-M148 HydrophobicContact CG2-CG 4.33Å; T141-M148 HydrophobicContact CG2-SD 3.79Å; M148-F154 HydrophobicContact CB-CD1 4.48Å; M148-F154 HydrophobicContact CE-CD1 3.99Å; M148-F154 HydrophobicContact CE-CE1 3.35Å; M148-F154 HydrophobicContact CE-CE2 4.11Å; M148-F154 HydrophobicContact CE-CZ 3.42Å; M148-F154 VanDerWaalsContact CE-CZ 3.42Å
149	W	98.1	Very high	93	Very high	10 Å²	10	78.3 Å²	78.3	4%	0.038	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	153.2	170.8	-67.2	110.7	0	0	0	110.2	L113 V114 I115 I136 G137 L138 D151 E152 H153 L155 L159 F160	L113-W149 WeakPolarHBondContact O-CZ3 3.19Å; V114-W149 HydrophobicContact CB-CE3 4.19Å; V114-W149 HydrophobicContact CG1-CB 4.1Å; V114-W149 HydrophobicContact CG1-CD2 3.93Å; V114-W149 HydrophobicContact CG1-CE3 4Å; V114-W149 HydrophobicContact CG1-CG 4Å; V114-W149 HydrophobicContact CG2-CE3 4.14Å; I115-W149 HydrophobicContact CB-CH2 3.77Å; I115-W149 HydrophobicContact CB-CZ2 4.02Å; I115-W149 HydrophobicContact CD1-CH2 4.2Å; I115-W149 HydrophobicContact CG1-CH2 3.86Å; I115-W149 HydrophobicContact CG1-CZ3 4.49Å; I136-W149 HydrophobicContact CB-CZ3 4.49Å; I136-W149 HydrophobicContact CD1-CH2 3.91Å; I136-W149 HydrophobicContact CD1-CZ3 3.97Å; I136-W149 HydrophobicContact CG1-CZ3 4.28Å; G137-W149 CarbonylContact O-C 3.6Å; G137-W149 VanDerWaalsContact O-CA 3.3Å; G137-W149 WeakPolarHBondContact O-CA 3.47Å; L138-W149 HydrophobicContact CB-CD2 4.28Å; L138-W149 HydrophobicContact CB-CE3 3.7Å; L138-W149 HydrophobicContact CB-CH2 4.15Å; L138-W149 HydrophobicContact CB-CZ3 3.63Å; L138-W149 HydrophobicContact CD1-CD2 3.39Å; L138-W149 HydrophobicContact CD1-CE3 3.74Å; L138-W149 HydrophobicContact CD1-CG 3.76Å; L138-W149 HydrophobicContact CD1-CH2 4.29Å; L138-W149 HydrophobicContact CD1-CZ2 4Å; L138-W149 HydrophobicContact CD1-CZ3 4.18Å; L138-W149 HydrophobicContact CG-CD2 4.41Å; L138-W149 HydrophobicContact CG-CE3 4.31Å; L138-W149 HydrophobicContact CG-CZ3 4.39Å; W149-D151 WeakPolarHBondContact CB-OD1 3.23Å; W149-D151 PolarHBondContact O-N 2.92Å; W149-D151 VanDerWaalsContact O-N 3.08Å; W149-E152 PolarHBondContact O-N 3.29Å; W149-H153 PolarHBondContact N-O 3.11Å; W149-L155 HydrophobicContact CZ2-CD1 4.02Å; W149-L159 HydrophobicContact CZ2-CD2 4.26Å; W149-F160 HydrophobicContact CH2-CE1 4.24Å; W149-F160 AromaticContact CH2-CZ 3.77Å; W149-F160 HydrophobicContact CH2-CZ 3.77Å; W149-F160 HydrophobicContact CZ2-CE1 4.03Å; W149-F160 AromaticContact CZ2-CZ 3.65Å; W149-F160 HydrophobicContact CZ2-CZ 3.65Å
150	I	97.7	Very high	92.9	Very high	42 Å²	42	76.3 Å²	76.3	22%	0.215	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.4	175.9	56.3	172.7	0	0	0	114.2	W98 H111 L112 V114 G137 Y139 E152	W98-I150 HydrophobicContact CH2-CG2 3.59Å; W98-I150 HydrophobicContact CZ2-CG2 3.57Å; H111-I150 HydrophobicContact CB-CD1 3.79Å; L112-I150 HydrophobicContact CB-CD1 4.1Å; L112-I150 WeakPolarHBondContact O-CD1 3.31Å; V114-I150 HydrophobicContact CG2-CD1 4.1Å; V114-I150 HydrophobicContact CG2-CG1 3.52Å; G137-I150 WeakPolarHBondContact O-CG2 3.32Å; G137-I150 PolarHBondContact O-N 3.46Å; Y139-I150 HydrophobicContact CD1-CG2 4.18Å; Y139-I150 HydrophobicContact CE1-CG2 4.15Å; I150-E152 VanDerWaalsContact C-N 3.25Å
151	D	96.1	Very high	92.9	Very high	62 Å²	62	80.5 Å²	80.5	33%	0.332	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	13.6	171.8	74.8	-17.1	0	0	0	112.8	W149 H153	W149-D151 WeakPolarHBondContact CB-OD1 3.23Å; W149-D151 PolarHBondContact O-N 2.92Å; W149-D151 VanDerWaalsContact O-N 3.08Å; D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 2.03Å; D151-H153 PolarHBondContact O-ND1 3.3Å; D151-H153 IonicContact OD1-CG 3.88Å; D151-H153 PolarHBondContact OD1-N 3.35Å; D151-H153 IonicContact OD1-ND1 3.32Å; D151-H153 PolarHBondContact OD1-ND1 3.26Å; D151-H153 IonicContact OD2-CE1 3.87Å; D151-H153 IonicContact OD2-ND1 3.03Å; D151-H153 PolarHBondContact OD2-ND1 3.35Å
152	E	95.9	Very high	93.1	Very high	162 Å²	162	80.5 Å²	80.5	76%	0.757	41%	0.407	S	S	*	.	S	Bend	trans	70.7	15.2	175.1	-51.1	-178.5	176	0	0	115	W149 I150	W149-E152 PolarHBondContact O-N 3.29Å; I150-E152 VanDerWaalsContact C-N 3.25Å
153	H	95.9	Very high	93.8	Very high	119 Å²	119	77.3 Å²	77.3	55%	0.551	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-96.8	144.1	171.1	-60.7	98	0	0	0	112.4	W149 D151	W149-H153 PolarHBondContact N-O 3.11Å; D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 2.03Å; D151-H153 PolarHBondContact O-ND1 3.3Å; D151-H153 IonicContact OD1-CG 3.88Å; D151-H153 PolarHBondContact OD1-N 3.35Å; D151-H153 IonicContact OD1-ND1 3.32Å; D151-H153 PolarHBondContact OD1-ND1 3.26Å; D151-H153 IonicContact OD2-CE1 3.87Å; D151-H153 IonicContact OD2-ND1 3.03Å; D151-H153 PolarHBondContact OD2-ND1 3.35Å
154	F	96.2	Very high	94.5	Very high	114 Å²	114	68.5 Å²	68.5	50%	0.5	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-75	147	173.5	-69.3	-74.6	0	0	0	111.6	L146 M148 V156	L146-F154 HydrophobicContact CB-CD1 4.08Å; L146-F154 HydrophobicContact CB-CE1 3.98Å; L146-F154 HydrophobicContact CD1-CD1 4.22Å; L146-F154 HydrophobicContact CD1-CE1 3.82Å; L146-F154 HydrophobicContact CD1-CZ 4.44Å; M148-F154 HydrophobicContact CB-CD1 4.48Å; M148-F154 HydrophobicContact CE-CD1 3.99Å; M148-F154 HydrophobicContact CE-CE1 3.35Å; M148-F154 HydrophobicContact CE-CE2 4.11Å; M148-F154 HydrophobicContact CE-CZ 3.42Å; M148-F154 VanDerWaalsContact CE-CZ 3.42Å; F154-V156 PolarHBondContact O-N 3.12Å
155	L	96.8	Very high	95.2	Very high	28 Å²	28	69.9 Å²	69.9	15%	0.147	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.9	127.5	169.9	178.9	67.6	0	0	0	109.9	L138 W147 W149 L159 F160 V162	L138-L155 HydrophobicContact CD1-CB 4.13Å; L138-L155 HydrophobicContact CD2-CD2 4.09Å; W147-L155 HydrophobicContact CB-CB 3.75Å; W147-L155 HydrophobicContact CB-CD2 4.05Å; W147-L155 HydrophobicContact CG-CD2 4.3Å; W147-L155 PolarHBondContact O-N 2.78Å; W149-L155 HydrophobicContact CZ2-CD1 4.02Å; L155-L159 HydrophobicContact CD1-CD2 4.29Å; L155-F160 HydrophobicContact CD1-CD2 4.37Å; L155-F160 HydrophobicContact CD1-CE1 4.15Å; L155-F160 HydrophobicContact CD1-CE2 3.8Å; L155-F160 HydrophobicContact CD1-CZ 3.67Å; L155-F160 HydrophobicContact CD2-CD2 4.31Å; L155-F160 HydrophobicContact CD2-CE2 3.92Å; L155-V162 HydrophobicContact CD2-CG2 3.91Å
156	V	93.5	Very high	95.4	Very high	78 Å²	78	68.9 Å²	68.9	47%	0.473	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-90.1	132.6	172.4	-61.8	0	0	0	0	110.2	F154 E158 L159	F154-V156 PolarHBondContact O-N 3.12Å; V156-E158 WeakPolarHBondContact CB-OE2 3.45Å; V156-E158 PolarHBondContact O-N 2.96Å; V156-E158 VanDerWaalsContact O-N 3.15Å; V156-L159 HydrophobicContact CG2-CB 4.1Å; V156-L159 PolarHBondContact O-N 2.82Å
157	P	90.4	Very high	95.3	Very high	101 Å²	101	67.5 Å²	67.5	66%	0.656	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.1	-176.9	-25.9	35.2	0	0	0	115	L159	P157-L159 PolarHBondContact O-N 2.85Å
158	E	92.8	Very high	94.9	Very high	153 Å²	153	69.1 Å²	69.1	72%	0.715	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19.8	-179.4	-63.1	74.5	-163.7	0	0	112.9	V156	V156-E158 WeakPolarHBondContact CB-OE2 3.45Å; V156-E158 PolarHBondContact O-N 2.96Å; V156-E158 VanDerWaalsContact O-N 3.15Å
159	L	93.5	Very high	94.8	Very high	21 Å²	21	75.3 Å²	75.3	11%	0.11	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-55.2	-178.9	-167.2	69.7	0	0	0	111.4	I115 N117 L118 W149 L155 V156 P157	I115-L159 HydrophobicContact CB-CD2 4.27Å; I115-L159 HydrophobicContact CG2-CD1 4.44Å; I115-L159 HydrophobicContact CG2-CD2 3.98Å; I115-L159 WeakPolarHBondContact O-CD2 3.19Å; N117-L159 VanDerWaalsContact C-CD1 3.43Å; L118-L159 HydrophobicContact CD2-CD1 4.07Å; L118-L159 WeakPolarHBondContact CD2-O 3.31Å; L118-L159 HydrophobicContact CG-CD1 4.3Å; W149-L159 HydrophobicContact CZ2-CD2 4.26Å; L155-L159 HydrophobicContact CD1-CD2 4.29Å; V156-L159 HydrophobicContact CG2-CB 4.1Å; V156-L159 PolarHBondContact O-N 2.82Å; P157-L159 PolarHBondContact O-N 2.85Å
160	F	96.3	Very high	94.7	Very high	24 Å²	24	74.9 Å²	74.9	11%	0.105	40%	0.401	C	S	.	.			trans	-170.2	168.1	172.4	54.7	-98.2	0	0	0	110.7	I115 L121 L138 W149 L155 V162 V179	I115-F160 HydrophobicContact CB-CE1 4.46Å; I115-F160 HydrophobicContact CD1-CE1 4.08Å; L121-F160 HydrophobicContact CD1-CD1 3.96Å; L121-F160 HydrophobicContact CD1-CE1 4.26Å; L121-F160 HydrophobicContact CD2-CB 4.39Å; L121-F160 HydrophobicContact CD2-CD1 3.93Å; L138-F160 HydrophobicContact CD2-CE2 4.07Å; L138-F160 HydrophobicContact CD2-CZ 4.28Å; W149-F160 HydrophobicContact CH2-CE1 4.24Å; W149-F160 AromaticContact CH2-CZ 3.77Å; W149-F160 HydrophobicContact CH2-CZ 3.77Å; W149-F160 HydrophobicContact CZ2-CE1 4.03Å; W149-F160 AromaticContact CZ2-CZ 3.65Å; W149-F160 HydrophobicContact CZ2-CZ 3.65Å; L155-F160 HydrophobicContact CD1-CD2 4.37Å; L155-F160 HydrophobicContact CD1-CE1 4.15Å; L155-F160 HydrophobicContact CD1-CE2 3.8Å; L155-F160 HydrophobicContact CD1-CZ 3.67Å; L155-F160 HydrophobicContact CD2-CD2 4.31Å; L155-F160 HydrophobicContact CD2-CE2 3.92Å; F160-V162 HydrophobicContact CD2-CG2 4.31Å; F160-V162 HydrophobicContact CE2-CG2 3.96Å; F160-V179 HydrophobicContact CD1-CG2 4.43Å; F160-V179 HydrophobicContact CD2-CB 3.92Å; F160-V179 HydrophobicContact CD2-CG1 4.37Å; F160-V179 HydrophobicContact CD2-CG2 3.68Å; F160-V179 HydrophobicContact CE1-CG2 4.47Å; F160-V179 HydrophobicContact CE2-CB 3.95Å; F160-V179 HydrophobicContact CE2-CG1 3.9Å; F160-V179 HydrophobicContact CE2-CG2 3.73Å; F160-V179 HydrophobicContact CG-CG2 4.07Å; F160-V179 HydrophobicContact CZ-CG2 4.14Å
161	S	95.8	Very high	94.7	Very high	92 Å²	92	73 Å²	73	64%	0.643	39%	0.391	S	S	*	.			trans	-106.7	140.2	169.5	-63.1	0	0	0	0	111.1
162	V	97.4	Very high	94.9	Very high	23 Å²	23	70 Å²	70	14%	0.139	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.3	174.4	-171.8	0	0	0	0	109.9	L138 W147 L155 F160 V179	L138-V162 HydrophobicContact CD2-CG2 3.79Å; W147-V162 HydrophobicContact CD2-CB 4.43Å; W147-V162 HydrophobicContact CD2-CG2 4Å; W147-V162 HydrophobicContact CG-CG2 4.24Å; W147-V162 HydrophobicContact CH2-CG1 3.85Å; W147-V162 HydrophobicContact CZ2-CB 3.81Å; W147-V162 HydrophobicContact CZ2-CG1 3.37Å; W147-V162 HydrophobicContact CZ2-CG2 4.18Å; L155-V162 HydrophobicContact CD2-CG2 3.91Å; F160-V162 HydrophobicContact CD2-CG2 4.31Å; F160-V162 HydrophobicContact CE2-CG2 3.96Å; V162-V179 HydrophobicContact CG1-CG1 4.21Å; V162-V179 HydrophobicContact CG2-CG1 4.03Å
163	I	97.4	Very high	95	Very high	78 Å²	78	62.4 Å²	62.4	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.6	-178.5	-55.4	173	0	0	0	109.3	W178 V179 Y180 S181	I163-W178 HydrophobicContact CD1-CB 4.02Å; I163-W178 HydrophobicContact CD1-CD2 4.17Å; I163-W178 HydrophobicContact CD1-CE3 4.3Å; I163-W178 HydrophobicContact CD1-CG 4.07Å; I163-V179 PolarHBondContact N-O 3.36Å; I163-Y180 HydrophobicContact CB-CD1 3.71Å; I163-Y180 HydrophobicContact CB-CE1 3.93Å; I163-Y180 HydrophobicContact CD1-CD1 4.48Å; I163-Y180 HydrophobicContact CD1-CE1 3.94Å; I163-Y180 HydrophobicContact CG2-CD1 3.95Å; I163-Y180 HydrophobicContact CG2-CE1 3.92Å; I163-Y180 CarbonylContact O-C 3.57Å; I163-Y180 VanDerWaalsContact O-CA 3.32Å; I163-Y180 WeakPolarHBondContact O-CA 3.06Å; I163-S181 PolarHBondContact O-N 3.46Å
164	G	95.8	Very high	95.1	Very high	49 Å²	49	56.8 Å²	56.8	51%	0.505	31%	0.314	S	S	.	.	S	Bend	trans	134	-164.2	175.1	0	0	0	0	0	112.9
165	P	91.9	Very high	95.2	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	30%	0.298	S	S	.	.			trans	-65.9	157	-179.1	27.7	-34.7	0	0	0	112.5	S181	P165-S181 WeakPolarHBondContact O-CB 3.07Å; P165-S181 PolarHBondContact O-OG 3.34Å
166	T	93.4	Very high	95.1	Very high	71 Å²	71	53.2 Å²	53.2	44%	0.436	31%	0.31	S	S	.	.			trans	-125.5	51.2	177.1	43.4	0	0	0	0	110	N145 W147	N145-T166 WeakPolarHBondContact CB-O 3.18Å; W147-T166 HydrophobicContact CZ2-CG2 4.36Å
167	D	91.8	Very high	95.2	Very high	62 Å²	62	56 Å²	56	33%	0.332	32%	0.316	S	S	.	.	S	Bend	trans	-95.6	165.3	176	60.8	47.2	0	0	0	111.9	V140 R169 S170	V140-D167 WeakPolarHBondContact CB-O 3.36Å; V140-D167 WeakPolarHBondContact CG1-O 3.43Å; D167-R169 PolarHBondContact O-N 2.66Å; D167-R169 PolarHBondContact OD1-N 3.34Å; D167-R169 VanDerWaalsContact OD1-N 3.11Å; D167-S170 VanDerWaalsContact CG-OG 3.22Å; D167-S170 PolarHBondContact N-OG 3.26Å; D167-S170 WeakPolarHBondContact O-CB 3.26Å; D167-S170 PolarHBondContact O-N 3.42Å; D167-S170 PolarHBondContact O-OG 2.89Å; D167-S170 PolarHBondContact OD1-N 3.03Å; D167-S170 VanDerWaalsContact OD1-N 3.08Å; D167-S170 PolarHBondContact OD1-OG 2.81Å
168	D	89.5	Confident	95.5	Very high	63 Å²	63	57 Å²	57	34%	0.337	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.8	-177.8	65.5	-20.4	0	0	0	115.7	F142	F142-D168 HydrophobicContact CB-CB 4.32Å; F142-D168 HydrophobicContact CD2-CB 3.71Å; F142-D168 WeakPolarHBondContact CD2-OD2 3.35Å; F142-D168 HydrophobicContact CE2-CB 4.48Å; F142-D168 WeakPolarHBondContact CE2-OD2 3.5Å; F142-D168 HydrophobicContact CG-CB 4.39Å
169	R	93.9	Very high	95.7	Very high	160 Å²	160	49.9 Å²	49.9	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	7.5	177.7	-71.2	177.8	-80.3	167.9	-1.9	112.2	D167 C184	D167-R169 PolarHBondContact O-N 2.66Å; D167-R169 PolarHBondContact OD1-N 3.34Å; D167-R169 VanDerWaalsContact OD1-N 3.11Å; R169-C184 VanDerWaalsContact C-SG 3.55Å; R169-C184 PolarHBondContact O-N 3.11Å; R169-C184 PolarHBondContact O-SG 2.86Å
170	S	97.1	Very high	95.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.7	-178.1	-67.3	0	0	0	0	112.1	V140 D167 S181 E182	V140-S170 PolarHBondContact N-O 3.15Å; D167-S170 VanDerWaalsContact CG-OG 3.22Å; D167-S170 PolarHBondContact N-OG 3.26Å; D167-S170 WeakPolarHBondContact O-CB 3.26Å; D167-S170 PolarHBondContact O-N 3.42Å; D167-S170 PolarHBondContact O-OG 2.89Å; D167-S170 PolarHBondContact OD1-N 3.03Å; D167-S170 VanDerWaalsContact OD1-N 3.08Å; D167-S170 PolarHBondContact OD1-OG 2.81Å; S170-S181 VanDerWaalsContact CB-OG 3.26Å; S170-S181 WeakPolarHBondContact CB-OG 3.45Å; S170-S181 PolarHBondContact OG-OG 3.08Å; S170-E182 WeakPolarHBondContact CA-O 3.25Å
171	C	98.4	Very high	96	Very high	1 Å²	1	52 Å²	52	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.2	173.3	-74.3	0	0	0	0	109.4	W98 W135 E182 C184	W98-C171 HydrophobicContact CB-CB 4.08Å; W98-C171 HydrophobicContact CD2-CB 4.45Å; W98-C171 VanDerWaalsContact CD2-SG 3.55Å; W98-C171 HydrophobicContact CG-CB 3.79Å; W135-C171 HydrophobicContact CE3-CB 4.03Å; W135-C171 HydrophobicContact CH2-CB 4.13Å; W135-C171 HydrophobicContact CZ3-CB 3.54Å; C171-E182 PolarHBondContact N-O 2.95Å; C171-E182 PolarHBondContact O-N 2.87Å; C171-E182 VanDerWaalsContact O-O 3.09Å; C171-C184 HydrophobicContact CB-CB 3.94Å; C171-C184 WeakPolarHBondContact CB-SG 3.34Å; C171-C184 PolarHBondContact N-SG 2.98Å; C171-C184 WeakPolarHBondContact SG-CB 3.35Å; C171-C184 CovalentContact SG-SG 2.03Å; C171-C184 PolarHBondContact SG-SG 2.91Å
172	A	98.4	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.8	-174.5	0	0	0	0	0	113.3	I136 L138 W147 V179 Y180	I136-A172 HydrophobicContact CD1-CB 3.95Å; I136-A172 HydrophobicContact CG1-CB 3.8Å; I136-A172 WeakPolarHBondContact CG1-O 3.28Å; I136-A172 PolarHBondContact N-O 2.89Å; I136-A172 VanDerWaalsContact N-O 3.13Å; L138-A172 HydrophobicContact CB-CB 3.8Å; L138-A172 HydrophobicContact CD2-CB 3.9Å; L138-A172 HydrophobicContact CG-CB 4.25Å; L138-A172 PolarHBondContact O-N 2.97Å; W147-A172 HydrophobicContact CH2-CB 4.3Å; W147-A172 HydrophobicContact CZ3-CB 3.9Å; A172-V179 HydrophobicContact CB-CG1 3.91Å; A172-Y180 CarbonylContact C-O 3.58Å; A172-Y180 WeakPolarHBondContact CA-O 3.19Å
173	V	98.4	Very high	96.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.6	165	-62.8	0	0	0	0	110.5	F133 G134 W135 V179 Y180 E182 F188	F133-V173 HydrophobicContact CD2-CB 4.46Å; F133-V173 HydrophobicContact CD2-CG2 4.5Å; G134-V173 CarbonylContact O-C 3.33Å; G134-V173 VanDerWaalsContact O-CA 3.25Å; G134-V173 WeakPolarHBondContact O-CA 3.38Å; W135-V173 HydrophobicContact CD2-CG1 3.91Å; W135-V173 HydrophobicContact CE3-CG1 3.32Å; W135-V173 HydrophobicContact CH2-CG1 4.12Å; W135-V173 HydrophobicContact CZ3-CG1 3.42Å; W135-V173 VanDerWaalsContact CZ3-CG1 3.42Å; V173-V179 CarbonylContact O-C 3.55Å; V173-V179 WeakPolarHBondContact O-CA 3.37Å; V173-Y180 PolarHBondContact N-O 3.35Å; V173-Y180 PolarHBondContact O-N 2.89Å; V173-E182 HydrophobicContact CG1-CB 4.45Å; V173-E182 HydrophobicContact CG1-CG 4.16Å; V173-E182 HydrophobicContact CG2-CG 3.71Å; V173-F188 HydrophobicContact CG1-CD2 3.48Å; V173-F188 VanDerWaalsContact CG1-CD2 3.48Å; V173-F188 HydrophobicContact CG1-CE2 3.98Å; V173-F188 HydrophobicContact CG1-CG 4.22Å
174	I	98.5	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	173.3	-171.5	162.3	0	0	0	110.6	I115 L121 I124 Q125 L128 F133 G134 I136 V179 I191	I115-I174 HydrophobicContact CD1-CD1 3.7Å; L121-I174 HydrophobicContact CD1-CD1 3.73Å; I124-I174 HydrophobicContact CG2-CD1 4.02Å; I124-I174 HydrophobicContact CG2-CG2 4.3Å; Q125-I174 HydrophobicContact CG-CD1 4.03Å; Q125-I174 HydrophobicContact CG-CG1 4.37Å; L128-I174 HydrophobicContact CD1-CG1 4.46Å; L128-I174 HydrophobicContact CD1-CG2 4.07Å; F133-I174 WeakPolarHBondContact CA-O 3.34Å; F133-I174 VanDerWaalsContact CB-O 3.23Å; F133-I174 WeakPolarHBondContact CB-O 3.18Å; G134-I174 PolarHBondContact N-O 3.26Å; G134-I174 VanDerWaalsContact N-O 3.15Å; G134-I174 PolarHBondContact O-N 3.34Å; I136-I174 HydrophobicContact CG2-CB 3.82Å; I136-I174 HydrophobicContact CG2-CG2 3.31Å; I174-V179 HydrophobicContact CB-CG2 4.43Å; I174-V179 HydrophobicContact CD1-CG2 4.28Å; I174-V179 HydrophobicContact CG1-CG2 4.12Å; I174-I191 HydrophobicContact CG2-CD1 3.51Å
175	T	97.4	Very high	96.3	Very high	27 Å²	27	52.8 Å²	52.8	17%	0.166	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	176.3	169.3	69.5	0	0	0	0	109.2	F133 K177 W178 Y180	F133-T175 HydrophobicContact CB-CG2 3.88Å; T175-K177 PolarHBondContact O-N 2.86Å; T175-K177 PolarHBondContact OG1-N 2.93Å; T175-W178 PolarHBondContact N-O 3.47Å; T175-W178 PolarHBondContact OG1-N 2.64Å; T175-W178 PolarHBondContact OG1-O 2.92Å; T175-Y180 HydrophobicContact CG2-CD2 3.68Å; T175-Y180 HydrophobicContact CG2-CE2 3.65Å
176	G	96.4	Very high	96.6	Very high	40 Å²	40	51.4 Å²	51.4	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	-63.6	3.4	173.3	0	0	0	0	0	116	Q125	Q125-G176 WeakPolarHBondContact O-CA 3.32Å
177	K	94.4	Very high	96.8	Very high	137 Å²	137	51.7 Å²	51.7	60%	0.596	27%	0.267	S	S	*	.	S	Bend	trans	-144.7	-38.2	179.5	-168	172.8	-178.8	174.7	0	114.5	Q125 T175	Q125-K177 VanDerWaalsContact NE2-C 3.25Å; Q125-K177 PolarHBondContact NE2-O 2.96Å; T175-K177 PolarHBondContact O-N 2.86Å; T175-K177 PolarHBondContact OG1-N 2.93Å
178	W	96.3	Very high	97.1	Very high	123 Å²	123	50.1 Å²	50.1	47%	0.466	26%	0.258	S	S	.	.			trans	-130.8	159.9	-172.1	-54.1	118.1	0	0	0	112	I163 T175 Y180	I163-W178 HydrophobicContact CD1-CB 4.02Å; I163-W178 HydrophobicContact CD1-CD2 4.17Å; I163-W178 HydrophobicContact CD1-CE3 4.3Å; I163-W178 HydrophobicContact CD1-CG 4.07Å; T175-W178 PolarHBondContact N-O 3.47Å; T175-W178 PolarHBondContact OG1-N 2.64Å; T175-W178 PolarHBondContact OG1-O 2.92Å; W178-Y180 HydrophobicContact CB-CD2 4.36Å; W178-Y180 HydrophobicContact CB-CE2 3.7Å; W178-Y180 VanDerWaalsContact CD1-OH 3.3Å; W178-Y180 HydrophobicContact CG-CE2 4.5Å
179	V	98.2	Very high	97.5	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126	169.9	-175.1	0	0	0	0	108.1	I136 F160 V162 I163 A172 V173 I174	I136-V179 HydrophobicContact CD1-CG1 4.05Å; F160-V179 HydrophobicContact CD1-CG2 4.43Å; F160-V179 HydrophobicContact CD2-CB 3.92Å; F160-V179 HydrophobicContact CD2-CG1 4.37Å; F160-V179 HydrophobicContact CD2-CG2 3.68Å; F160-V179 HydrophobicContact CE1-CG2 4.47Å; F160-V179 HydrophobicContact CE2-CB 3.95Å; F160-V179 HydrophobicContact CE2-CG1 3.9Å; F160-V179 HydrophobicContact CE2-CG2 3.73Å; F160-V179 HydrophobicContact CG-CG2 4.07Å; F160-V179 HydrophobicContact CZ-CG2 4.14Å; V162-V179 HydrophobicContact CG1-CG1 4.21Å; V162-V179 HydrophobicContact CG2-CG1 4.03Å; I163-V179 PolarHBondContact N-O 3.36Å; A172-V179 HydrophobicContact CB-CG1 3.91Å; V173-V179 CarbonylContact O-C 3.55Å; V173-V179 WeakPolarHBondContact O-CA 3.37Å; I174-V179 HydrophobicContact CB-CG2 4.43Å; I174-V179 HydrophobicContact CD1-CG2 4.28Å; I174-V179 HydrophobicContact CG1-CG2 4.12Å
180	Y	98	Very high	97.7	Very high	81 Å²	81	42 Å²	42	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.1	-179.4	-65.2	-80.8	0	0	0	111.3	I163 A172 V173 T175 W178	I163-Y180 HydrophobicContact CB-CD1 3.71Å; I163-Y180 HydrophobicContact CB-CE1 3.93Å; I163-Y180 HydrophobicContact CD1-CD1 4.48Å; I163-Y180 HydrophobicContact CD1-CE1 3.94Å; I163-Y180 HydrophobicContact CG2-CD1 3.95Å; I163-Y180 HydrophobicContact CG2-CE1 3.92Å; I163-Y180 CarbonylContact O-C 3.57Å; I163-Y180 VanDerWaalsContact O-CA 3.32Å; I163-Y180 WeakPolarHBondContact O-CA 3.06Å; A172-Y180 CarbonylContact C-O 3.58Å; A172-Y180 WeakPolarHBondContact CA-O 3.19Å; V173-Y180 PolarHBondContact N-O 3.35Å; V173-Y180 PolarHBondContact O-N 2.89Å; T175-Y180 HydrophobicContact CG2-CD2 3.68Å; T175-Y180 HydrophobicContact CG2-CE2 3.65Å; W178-Y180 HydrophobicContact CB-CD2 4.36Å; W178-Y180 HydrophobicContact CB-CE2 3.7Å; W178-Y180 VanDerWaalsContact CD1-OH 3.3Å; W178-Y180 HydrophobicContact CG-CE2 4.5Å
181	S	98.3	Very high	97.8	Very high	8 Å²	8	42 Å²	42	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.6	171.1	-176.3	0	0	0	0	110.2	W147 I163 P165 S170	W147-S181 WeakPolarHBondContact CH2-OG 3.15Å; I163-S181 PolarHBondContact O-N 3.46Å; P165-S181 WeakPolarHBondContact O-CB 3.07Å; P165-S181 PolarHBondContact O-OG 3.34Å; S170-S181 VanDerWaalsContact CB-OG 3.26Å; S170-S181 WeakPolarHBondContact CB-OG 3.45Å; S170-S181 PolarHBondContact OG-OG 3.08Å
182	E	98.1	Very high	97.8	Very high	73 Å²	73	42 Å²	42	34%	0.341	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.9	-178.2	-70.1	-67.2	159.8	0	0	110.6	W135 S170 C171 V173 C184 F188	W135-E182 HydrophobicContact CH2-CB 3.7Å; W135-E182 HydrophobicContact CZ3-CB 3.89Å; S170-E182 WeakPolarHBondContact CA-O 3.25Å; C171-E182 PolarHBondContact N-O 2.95Å; C171-E182 PolarHBondContact O-N 2.87Å; C171-E182 VanDerWaalsContact O-O 3.09Å; V173-E182 HydrophobicContact CG1-CB 4.45Å; V173-E182 HydrophobicContact CG1-CG 4.16Å; V173-E182 HydrophobicContact CG2-CG 3.71Å; E182-C184 PolarHBondContact O-N 3.02Å; E182-F188 HydrophobicContact CB-CE2 3.79Å; E182-F188 HydrophobicContact CG-CE2 3.73Å; E182-F188 HydrophobicContact CG-CZ 4.22Å
183	D	97.6	Very high	97.8	Very high	69 Å²	69	42.3 Å²	42.3	37%	0.369	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.8	173.5	-174.5	-30.2	0	0	0	109.7	W135 S185 S186	W135-D183 WeakPolarHBondContact CH2-O 3.45Å; D183-S185 PolarHBondContact O-N 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.28Å; D183-S185 PolarHBondContact OD1-N 3.46Å; D183-S185 PolarHBondContact OD1-OG 2.82Å; D183-S186 WeakPolarHBondContact O-CB 3.49Å; D183-S186 PolarHBondContact O-N 2.92Å; D183-S186 PolarHBondContact O-OG 3.31Å
184	C	98	Very high	97.8	Very high	32 Å²	32	44.4 Å²	44.4	22%	0.216	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.5	179	-60.7	0	0	0	0	113.8	W98 R169 C171 E182	W98-C184 HydrophobicContact CB-CB 4.27Å; W98-C184 PolarHBondContact N-O 3.29Å; W98-C184 VanDerWaalsContact N-O 3.12Å; R169-C184 VanDerWaalsContact C-SG 3.55Å; R169-C184 PolarHBondContact O-N 3.11Å; R169-C184 PolarHBondContact O-SG 2.86Å; C171-C184 HydrophobicContact CB-CB 3.94Å; C171-C184 WeakPolarHBondContact CB-SG 3.34Å; C171-C184 PolarHBondContact N-SG 2.98Å; C171-C184 WeakPolarHBondContact SG-CB 3.35Å; C171-C184 CovalentContact SG-SG 2.03Å; C171-C184 PolarHBondContact SG-SG 2.91Å; E182-C184 PolarHBondContact O-N 3.02Å
185	S	98.1	Very high	97.6	Very high	85 Å²	85	50.2 Å²	50.2	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.7	178.4	-40.8	0	0	0	0	113.2	T97 D183	T97-S185 WeakPolarHBondContact CG2-O 3.4Å; D183-S185 PolarHBondContact O-N 3.3Å; D183-S185 WeakPolarHBondContact OD1-CB 3.28Å; D183-S185 PolarHBondContact OD1-N 3.46Å; D183-S185 PolarHBondContact OD1-OG 2.82Å
186	S	98.3	Very high	97.5	Very high	40 Å²	40	49.5 Å²	49.5	28%	0.28	26%	0.261	S	S	.	.	S	Bend	trans	-66.5	158.3	171.6	-66.8	0	0	0	0	111.2	T97 W135 D183	T97-S186 WeakPolarHBondContact CA-O 3.43Å; W135-S186 WeakPolarHBondContact CZ2-O 2.93Å; D183-S186 WeakPolarHBondContact O-CB 3.49Å; D183-S186 PolarHBondContact O-N 2.92Å; D183-S186 PolarHBondContact O-OG 3.31Å
187	T	98.3	Very high	97.2	Very high	76 Å²	76	52 Å²	52	47%	0.466	26%	0.264	S	S	.	.			trans	-107.5	115.2	-178.6	55.3	0	0	0	0	111.6	K96 T97	K96-T187 WeakPolarHBondContact O-CA 3.48Å; T97-T187 HydrophobicContact CG2-CG2 4.32Å
188	F	98.3	Very high	96.9	Very high	30 Å²	30	49.1 Å²	49.1	13%	0.132	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-134.3	167.9	174.6	-56.1	-54	0	0	0	110.5	K96 F133 W135 V173 E182	K96-F188 PolarHBondContact N-O 3.48Å; K96-F188 PolarHBondContact O-N 3.3Å; F133-F188 HydrophobicContact CD2-CD1 4.17Å; F133-F188 HydrophobicContact CD2-CG 4.39Å; F133-F188 AromaticContact CE2-CD1 3.33Å; F133-F188 HydrophobicContact CE2-CD1 3.33Å; F133-F188 AromaticContact CE2-CE1 3.47Å; F133-F188 HydrophobicContact CE2-CE1 3.47Å; F133-F188 VanDerWaalsContact CE2-CE1 3.47Å; F133-F188 AromaticContact CE2-CG 3.96Å; F133-F188 HydrophobicContact CE2-CG 3.96Å; F133-F188 HydrophobicContact CE2-CZ 4.19Å; F133-F188 HydrophobicContact CZ-CD1 4.09Å; F133-F188 HydrophobicContact CZ-CE1 4.09Å; W135-F188 HydrophobicContact CD2-CB 4.31Å; W135-F188 HydrophobicContact CD2-CD2 4.04Å; W135-F188 AromaticContact CE2-CD2 3.47Å; W135-F188 VanDerWaalsContact CE2-CD2 3.47Å; W135-F188 HydrophobicContact CE3-CD2 4.32Å; W135-F188 HydrophobicContact CG-CB 4.33Å; W135-F188 AromaticContact CH2-CD2 3.53Å; W135-F188 HydrophobicContact CH2-CD2 3.53Å; W135-F188 AromaticContact CH2-CE2 3.72Å; W135-F188 HydrophobicContact CH2-CE2 3.72Å; W135-F188 HydrophobicContact CZ2-CB 4.47Å; W135-F188 AromaticContact CZ2-CD2 3.21Å; W135-F188 HydrophobicContact CZ2-CD2 3.21Å; W135-F188 AromaticContact CZ2-CE2 3.74Å; W135-F188 HydrophobicContact CZ2-CE2 3.74Å; W135-F188 HydrophobicContact CZ2-CG 4.21Å; W135-F188 HydrophobicContact CZ3-CD2 4.08Å; W135-F188 HydrophobicContact CZ3-CE2 4.43Å; V173-F188 HydrophobicContact CG1-CD2 3.48Å; V173-F188 VanDerWaalsContact CG1-CD2 3.48Å; V173-F188 HydrophobicContact CG1-CE2 3.98Å; V173-F188 HydrophobicContact CG1-CG 4.22Å; E182-F188 HydrophobicContact CB-CE2 3.79Å; E182-F188 HydrophobicContact CG-CE2 3.73Å; E182-F188 HydrophobicContact CG-CZ 4.22Å
189	K	98.1	Very high	96.2	Very high	51 Å²	51	45.6 Å²	45.6	22%	0.222	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	143.4	171.9	-70.2	169.1	177.4	-177.1	0	109.5	S92 T93 S94 F95 G134 W135	S92-K189 WeakPolarHBondContact O-CB 3.3Å; S92-K189 VanDerWaalsContact O-CD 3.28Å; S92-K189 WeakPolarHBondContact O-CD 2.98Å; S92-K189 VanDerWaalsContact O-CG 3.32Å; S92-K189 WeakPolarHBondContact O-CG 3.17Å; T93-K189 VanDerWaalsContact O-CE 3.28Å; T93-K189 WeakPolarHBondContact O-CE 3.29Å; S94-K189 WeakPolarHBondContact O-CA 3.44Å; F95-K189 HydrophobicContact CD1-CG 4.46Å; F95-K189 HydrophobicContact CE1-CG 4.4Å; F95-K189 HydrophobicContact CE2-CG 4.49Å; F95-K189 HydrophobicContact CZ-CD 4.35Å; F95-K189 HydrophobicContact CZ-CG 4.42Å; G134-K189 CarbonylContact C-O 3.25Å; G134-K189 WeakPolarHBondContact CA-O 3.25Å; W135-K189 PolarHBondContact N-O 2.93Å
190	G	98.2	Very high	95.1	Very high	2 Å²	2	55 Å²	55	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	151.4	172	0	0	0	0	0	112.9	S92	S92-G190 VanDerWaalsContact CB-O 3.24Å; S92-G190 WeakPolarHBondContact CB-O 3.48Å; S92-G190 PolarHBondContact N-O 3.42Å
191	I	98.6	Very high	93.2	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114	166	-53.1	174.1	0	0	0	107.2	W90 F91 L112 L113 I124 L128 W135 I174	W90-I191 CarbonylContact O-C 3.56Å; W90-I191 WeakPolarHBondContact O-CA 3.35Å; F91-I191 HydrophobicContact CD1-CD1 4.01Å; F91-I191 HydrophobicContact CD1-CG1 3.85Å; F91-I191 HydrophobicContact CD1-CG2 4.2Å; F91-I191 HydrophobicContact CE1-CD1 3.77Å; F91-I191 HydrophobicContact CE1-CG1 4.05Å; F91-I191 HydrophobicContact CE1-CG2 4.01Å; F91-I191 HydrophobicContact CZ-CG2 4.19Å; L112-I191 CarbonylContact C-O 3.57Å; L112-I191 WeakPolarHBondContact CA-O 3.45Å; L113-I191 HydrophobicContact CB-CB 4.18Å; L113-I191 HydrophobicContact CB-CG2 4.09Å; L113-I191 HydrophobicContact CD1-CG2 4.37Å; L113-I191 HydrophobicContact CD2-CG2 4.35Å; L113-I191 PolarHBondContact N-O 2.9Å; I124-I191 HydrophobicContact CG2-CD1 4.29Å; L128-I191 HydrophobicContact CD2-CD1 4.23Å; W135-I191 PolarHBondContact O-N 3.41Å; I174-I191 HydrophobicContact CG2-CD1 3.51Å
192	C	98.5	Very high	91	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.1	178.5	-54.6	0	0	0	0	110.7	W81 Y89 W90 C105 A110 H111	W81-C192 HydrophobicContact CH2-CB 4.21Å; Y89-C192 CarbonylContact C-O 3.5Å; Y89-C192 VanDerWaalsContact CA-O 3.3Å; Y89-C192 WeakPolarHBondContact CA-O 3.49Å; W90-C192 HydrophobicContact CB-CB 4.4Å; W90-C192 HydrophobicContact CE3-CB 4.27Å; W90-C192 PolarHBondContact N-O 3.26Å; W90-C192 PolarHBondContact O-N 2.9Å; C105-C192 WeakPolarHBondContact CA-SG 3.37Å; C105-C192 HydrophobicContact CB-CB 3.74Å; C105-C192 WeakPolarHBondContact CB-SG 3.45Å; C105-C192 VanDerWaalsContact SG-CA 3.5Å; C105-C192 WeakPolarHBondContact SG-CB 3.26Å; C105-C192 CovalentContact SG-SG 2.03Å; C105-C192 PolarHBondContact SG-SG 3.13Å; A110-C192 HydrophobicContact CB-CB 4.17Å; H111-C192 CarbonylContact O-C 3.3Å; H111-C192 VanDerWaalsContact O-CA 3.26Å; H111-C192 WeakPolarHBondContact O-CA 3.42Å
193	Q	98.3	Very high	88.8	Confident	5 Å²	5	69 Å²	69	2%	0.023	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.2	171	78.5	178.2	34.2	0	0	112.1	C88 Y89 A110 H111 L113 V114	C88-Q193 CarbonylContact O-C 3.55Å; C88-Q193 VanDerWaalsContact O-CA 3.25Å; C88-Q193 WeakPolarHBondContact O-CA 3.46Å; Y89-Q193 HydrophobicContact CD1-CB 3.85Å; Y89-Q193 HydrophobicContact CE1-CB 4.09Å; A110-Q193 WeakPolarHBondContact CA-O 3.14Å; A110-Q193 VanDerWaalsContact CB-O 3.24Å; A110-Q193 WeakPolarHBondContact CB-O 3.23Å; H111-Q193 PolarHBondContact N-O 3.18Å; H111-Q193 PolarHBondContact ND1-O 3.17Å; H111-Q193 VanDerWaalsContact NE2-CG 3.33Å; H111-Q193 WeakPolarHBondContact NE2-CG 3.47Å; H111-Q193 PolarHBondContact NE2-NE2 3.44Å; H111-Q193 PolarHBondContact O-N 2.98Å; L113-Q193 HydrophobicContact CD1-CB 4.35Å; L113-Q193 VanDerWaalsContact CD1-OE1 3.22Å; V114-Q193 PolarHBondContact O-NE2 3.36Å; V114-Q193 PolarHBondContact O-OE1 2.9Å; V114-Q193 VanDerWaalsContact O-OE1 3.14Å
194	R	97.3	Very high	86.1	Confident	47 Å²	47	71.2 Å²	71.2	18%	0.177	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163	168.6	68.1	-167.4	-163.7	109.3	7.9	110.4	W81 K87 C88 A110	W81-R194 HydrophobicContact CE3-CG 4.26Å; W81-R194 HydrophobicContact CH2-CG 4.27Å; W81-R194 HydrophobicContact CZ3-CG 3.71Å; K87-R194 CarbonylContact C-O 3.59Å; K87-R194 WeakPolarHBondContact CA-O 3.29Å; C88-R194 HydrophobicContact CB-CG 4.06Å; C88-R194 PolarHBondContact N-O 2.86Å; C88-R194 PolarHBondContact O-N 3.32Å; A110-R194 HydrophobicContact CB-CB 3.92Å; A110-R194 HydrophobicContact CB-CG 4.43Å
195	D	95.6	Very high	83.7	Confident	122 Å²	122	76.5 Å²	76.5	65%	0.652	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.2	175	-61.7	-36.4	0	0	0	111.3
196	A	93.9	Very high	80.8	Confident	13 Å²	13	82.6 Å²	82.6	11%	0.107	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-74.4	150.3	173.6	0	0	0	0	0	110.8	Y75 L83 G86 C88 L198	Y75-A196 HydrophobicContact CD1-CB 4Å; L83-A196 HydrophobicContact CD1-CB 3.72Å; G86-A196 WeakPolarHBondContact O-CB 3.48Å; G86-A196 PolarHBondContact O-N 3.22Å; C88-A196 VanDerWaalsContact SG-CA 3.53Å; A196-L198 PolarHBondContact O-N 3.46Å
197	I	91.6	Very high	80	Confident	92 Å²	92	84.7 Å²	84.7	47%	0.472	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.3	-179.2	-58.7	168.5	0	0	0	108.5	Y75 L76 T199	Y75-I197 WeakPolarHBondContact CA-O 3.31Å; L76-I197 HydrophobicContact CB-CB 4.29Å; L76-I197 PolarHBondContact N-O 2.93Å; L76-I197 PolarHBondContact O-N 3.27Å; I197-T199 HydrophobicContact CG2-CG2 4.48Å; I197-T199 PolarHBondContact O-N 3.25Å
198	L	87.9	Confident	79	Confident	77 Å²	77	85.2 Å²	85.2	40%	0.403	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.1	174.6	-166.1	79.2	0	0	0	110.2	H73 Y75 A196	H73-L198 HydrophobicContact CB-CD1 3.42Å; H73-L198 VanDerWaalsContact CB-CD1 3.42Å; H73-L198 HydrophobicContact CB-CG 4.27Å; Y75-L198 HydrophobicContact CD1-CD1 3.95Å; Y75-L198 HydrophobicContact CD2-CD1 4.45Å; Y75-L198 HydrophobicContact CE1-CD1 3.38Å; Y75-L198 HydrophobicContact CE2-CD1 3.89Å; Y75-L198 HydrophobicContact CG-CD1 4.48Å; A196-L198 PolarHBondContact O-N 3.46Å
199	T	82.3	Confident	77.9	Confident	48 Å²	48	88.2 Å²	88.2	29%	0.294	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119	168.2	56.5	0	0	0	0	109.4	N74 L76 I197	N74-T199 WeakPolarHBondContact CB-OG1 3.4Å; N74-T199 PolarHBondContact N-O 3.36Å; N74-T199 VanDerWaalsContact N-O 3.15Å; N74-T199 PolarHBondContact O-N 3Å; N74-T199 PolarHBondContact O-OG1 3.05Å; L76-T199 HydrophobicContact CD1-CG2 3.48Å; L76-T199 VanDerWaalsContact CD1-CG2 3.48Å; L76-T199 HydrophobicContact CG-CG2 4.22Å; I197-T199 HydrophobicContact CG2-CG2 4.48Å; I197-T199 PolarHBondContact O-N 3.25Å
200	R	74.9	Confident	76.8	Confident	202 Å²	202	90.4 Å²	90.4	76%	0.762	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.9	171.8	-72.5	-176	-176.9	152.4	1.4	108.2	R202	R200-R202 PolarHBondContact O-N 3.26Å; R200-R202 VanDerWaalsContact O-N 3.12Å
201	N	57	Low	75.4	Confident	103 Å²	103	95.9 Å²	95.9	55%	0.551	50%	0.5	S	S	*	.			trans	-65.2	113.8	164.5	-138.9	2.7	0	0	0	106.7	T203	N201-T203 PolarHBondContact O-N 3.37Å
202	R	52.3	Low	73.9	Confident	249 Å²	249	102.2 Å²	102.2	94%	0.94	53%	0.532	S	S	*	.			trans	-76.8	64	175	-156.4	-175.8	-158.1	-179.1	6.1	108.5	R200	R200-R202 PolarHBondContact O-N 3.26Å; R200-R202 VanDerWaalsContact O-N 3.12Å
203	T	52.7	Low	72.1	Confident	102 Å²	102	109.4 Å²	109.4	63%	0.626	57%	0.57	S	S	*	*			trans	-112.9	74.9	169.1	50.1	0	0	0	0	108.4	N201	N201-T203 PolarHBondContact O-N 3.37Å
204	S	39.4	Very low	70.1	Confident	117 Å²	117	117.5 Å²	117.5	82%	0.818	61%	0.612	S	S	*	*			trans	-146.1	78	153.2	-56.3	0	0	0	0	105.8
205	V	48.5	Very low	67.8	Low	142 Å²	142	123.3 Å²	123.3	86%	0.861	65%	0.648	S	S	*	*			trans	-86.2	104.7	146.1	175.5	0	0	0	0	104.2
206	V	38	Very low	65.3	Low	213 Å²	213	123.5 Å²	123.5	100%	1.291	65%	0.648	S	S	*	*			trans	-143.2	0	138.2	-176	0	0	0	0	106

Retrieved 206 of 206 residues in 787.4 ms (Link to these results)

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