G4VDD3_SCHMA Loading...

ATP synthase subunit s, mitochondrial

AlphaFold DB , UniProt , Accession G4VDD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	29.3	Very low	235 Å²	235	155.9 Å²	155.9	100%	1.158	79%	0.793	S	S	*	*				0	111.1	0	-98.8	176.2	172.7	0	0	108.6	L3	M1-L3 PolarHBondContact O-N 3.49Å
2	F	28.4	Very low	30	Very low	216 Å²	216	159.3 Å²	159.3	95%	0.947	80%	0.798	S	S	*	*			trans	-73.5	111	172.3	-74.8	-88.4	0	0	0	108.3	R4	F2-R4 PolarHBondContact O-N 3.36Å
3	L	30.1	Very low	30.3	Very low	160 Å²	160	153.2 Å²	153.2	84%	0.838	78%	0.78	S	S	*	*			trans	-68.6	94.7	174.3	-107.3	101.8	0	0	0	109	M1 V5	M1-L3 PolarHBondContact O-N 3.49Å; L3-V5 PolarHBondContact O-N 3.36Å; L3-V5 VanDerWaalsContact O-N 3.14Å
4	R	22.9	Very low	30.6	Very low	229 Å²	229	147.5 Å²	147.5	86%	0.864	75%	0.751	S	S	*	*			trans	-73.3	97.6	169.2	-126	178.1	175.3	171.4	-1.6	107.4	F2 T6	F2-R4 PolarHBondContact O-N 3.36Å; R4-T6 PolarHBondContact O-N 3.18Å; R4-T6 VanDerWaalsContact O-N 3.08Å
5	V	32.5	Very low	31.1	Very low	117 Å²	117	147.9 Å²	147.9	71%	0.709	75%	0.753	S	S	*	*			trans	-74.3	95.4	171.4	-178.7	0	0	0	0	107.5	L3 V7	L3-V5 PolarHBondContact O-N 3.36Å; L3-V5 VanDerWaalsContact O-N 3.14Å; V5-V7 HydrophobicContact CG1-CG2 4.2Å; V5-V7 PolarHBondContact O-N 3.06Å; V5-V7 VanDerWaalsContact O-N 3.12Å
6	T	25	Very low	31.4	Very low	125 Å²	125	144.8 Å²	144.8	77%	0.767	75%	0.749	S	S	*	*			trans	-73.4	99.3	168.8	36.3	0	0	0	0	108.5	R4 G8	R4-T6 PolarHBondContact O-N 3.18Å; R4-T6 VanDerWaalsContact O-N 3.08Å; T6-G8 PolarHBondContact O-N 3.24Å
7	V	32.4	Very low	31.1	Very low	117 Å²	117	148.3 Å²	148.3	71%	0.709	75%	0.75	S	S	*	*			trans	-71.2	87.6	168.5	-172.5	0	0	0	0	107.1	V5 R9	V5-V7 HydrophobicContact CG1-CG2 4.2Å; V5-V7 PolarHBondContact O-N 3.06Å; V5-V7 VanDerWaalsContact O-N 3.12Å; V7-R9 PolarHBondContact O-N 3.22Å
8	G	27.3	Very low	31.4	Very low	56 Å²	56	150.4 Å²	150.4	58%	0.577	76%	0.756	S	S	*	*			trans	-55.1	137.3	172.5	0	0	0	0	0	110.1	T6 L10	T6-G8 PolarHBondContact O-N 3.24Å; G8-L10 PolarHBondContact O-N 2.9Å
9	R	27.9	Very low	31.4	Very low	255 Å²	255	149.9 Å²	149.9	96%	0.962	76%	0.756	S	S	*	*			trans	-44.2	107.5	177.4	-101.2	177.9	172.2	173.2	-2.5	109.8	V7 S11	V7-R9 PolarHBondContact O-N 3.22Å; R9-S11 PolarHBondContact O-N 3.13Å
10	L	32.9	Very low	31.3	Very low	139 Å²	139	147.1 Å²	147.1	73%	0.728	74%	0.743	S	S	*	*			trans	-64.1	101.9	177.1	-70.8	163	0	0	0	108.4	G8	G8-L10 PolarHBondContact O-N 2.9Å
11	S	30.3	Very low	31.2	Very low	66 Å²	66	147.5 Å²	147.5	46%	0.462	75%	0.747	S	S	.	*			trans	-66.4	138.2	165.8	72.2	0	0	0	0	108	R9 S13 I14	R9-S11 PolarHBondContact O-N 3.13Å; S11-S13 PolarHBondContact O-N 3.39Å; S11-S13 PolarHBondContact OG-OG 3.22Å; S11-I14 PolarHBondContact O-N 2.73Å
12	K	37.5	Very low	31.2	Very low	197 Å²	197	143.2 Å²	143.2	86%	0.857	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-5	-176.5	-71.4	-178.8	176.2	179.5	0	114
13	S	33.9	Very low	31	Very low	80 Å²	80	144.2 Å²	144.2	56%	0.559	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-11.6	-178.7	68	0	0	0	0	114.8	S11 I15 S16	S11-S13 PolarHBondContact O-N 3.39Å; S11-S13 PolarHBondContact OG-OG 3.22Å; S13-I15 VanDerWaalsContact C-N 3.31Å; S13-I15 PolarHBondContact O-N 3.11Å; S13-S16 PolarHBondContact O-OG 3.19Å
14	I	34.4	Very low	31.4	Very low	73 Å²	73	145.1 Å²	145.1	37%	0.374	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-77.3	-20	-179	-60	175.1	0	0	0	111.9	S11 S16 L20	S11-I14 PolarHBondContact O-N 2.73Å; I14-S16 PolarHBondContact O-N 3.46Å; I14-L20 HydrophobicContact CG2-CD1 3.95Å; I14-L20 HydrophobicContact CG2-CD2 3.81Å; I14-L20 HydrophobicContact CG2-CG 4.07Å
15	I	38.1	Very low	31.7	Very low	154 Å²	154	138.7 Å²	138.7	79%	0.79	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-67.4	-19.4	-179.6	-59.8	167.8	0	0	0	111.9	S13	S13-I15 VanDerWaalsContact C-N 3.31Å; S13-I15 PolarHBondContact O-N 3.11Å
16	S	35.5	Very low	31.8	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-93.9	-3.2	-175.3	72.1	0	0	0	0	115.9	S13 I14	S13-S16 PolarHBondContact O-OG 3.19Å; I14-S16 PolarHBondContact O-N 3.46Å
17	R	27.7	Very low	32.3	Very low	205 Å²	205	135.5 Å²	135.5	77%	0.774	70%	0.701	S	S	*	*			trans	-95.5	111.2	175.7	-73.8	-166.7	175.6	-166.7	-0.2	111.1	N19	R17-N19 PolarHBondContact O-N 3.28Å
18	H	35.2	Very low	32.4	Very low	186 Å²	186	137.1 Å²	137.1	86%	0.861	70%	0.701	S	S	*	*	S	Bend	trans	-57.3	-5.5	178.4	-95.7	-75.6	0	0	0	116.2
19	N	31.7	Very low	32.7	Very low	141 Å²	141	140 Å²	140	75%	0.754	71%	0.71	S	S	*	*			trans	-136.4	81.8	176.9	-78.8	-27.3	0	0	0	109.9	R17 L21	R17-N19 PolarHBondContact O-N 3.28Å; N19-L21 PolarHBondContact O-N 3.35Å
20	L	29	Very low	33.2	Very low	94 Å²	94	131.7 Å²	131.7	49%	0.492	70%	0.695	S	S	.	*			trans	-71.2	82	164.3	-105.4	160.1	0	0	0	108.5	I14 I22	I14-L20 HydrophobicContact CG2-CD1 3.95Å; I14-L20 HydrophobicContact CG2-CD2 3.81Å; I14-L20 HydrophobicContact CG2-CG 4.07Å; L20-I22 HydrophobicContact CD2-CG1 4.24Å; L20-I22 PolarHBondContact O-N 3.28Å
21	L	29.5	Very low	33.4	Very low	156 Å²	156	131.9 Å²	131.9	82%	0.817	70%	0.697	S	S	*	*			trans	-72.1	84.6	162.9	-74.6	169.2	0	0	0	107.7	N19 R23	N19-L21 PolarHBondContact O-N 3.35Å; L21-R23 PolarHBondContact O-N 2.9Å
22	I	32.8	Very low	33.9	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	72%	0.721	S	S	*	*			trans	-66.6	105.1	161.5	-66.2	164.6	0	0	0	105.6	L20 Y24	L20-I22 HydrophobicContact CD2-CG1 4.24Å; L20-I22 PolarHBondContact O-N 3.28Å; I22-Y24 PolarHBondContact O-N 2.83Å
23	R	25	Very low	34	Very low	238 Å²	238	137.7 Å²	137.7	90%	0.898	72%	0.72	S	S	*	*			trans	-64.1	104.9	171.1	-72.3	-172.6	177.6	-173.7	-0.8	107.5	L21 A25	L21-R23 PolarHBondContact O-N 2.9Å; R23-A25 PolarHBondContact O-N 3.5Å
24	Y	37.6	Very low	34	Very low	179 Å²	179	138 Å²	138	70%	0.702	74%	0.737	S	S	*	*			trans	-68.4	110.4	164.8	-176.7	-103.1	0	0	0	107.5	I22 S26	I22-Y24 PolarHBondContact O-N 2.83Å; Y24-S26 VanDerWaalsContact CE1-CB 3.46Å; Y24-S26 PolarHBondContact O-N 3.26Å
25	A	29.3	Very low	33.8	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	74%	0.741	S	S	*	*			trans	-79	95.2	161.5	0	0	0	0	0	106.4	R23 S27	R23-A25 PolarHBondContact O-N 3.5Å; A25-S27 PolarHBondContact O-N 3.02Å
26	S	35.7	Very low	33.9	Very low	54 Å²	54	139.3 Å²	139.3	38%	0.378	75%	0.747	S	S	.	*			trans	-61.9	130.5	163.3	-169.4	0	0	0	0	107.3	Y24 E28	Y24-S26 VanDerWaalsContact CE1-CB 3.46Å; Y24-S26 PolarHBondContact O-N 3.26Å; S26-E28 PolarHBondContact O-N 3.16Å; S26-E28 PolarHBondContact OG-N 2.89Å
27	S	34.5	Very low	33.8	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	75%	0.75	S	S	*	*			trans	-81.2	2.6	172.8	58.7	0	0	0	0	112.7	A25	A25-S27 PolarHBondContact O-N 3.02Å
28	E	35.6	Very low	34.4	Very low	151 Å²	151	139.1 Å²	139.1	71%	0.706	75%	0.745	S	S	*	*	S	Bend	trans	-76.3	128.4	173	-68	176.7	174.2	0	0	108.9	S26 A30	S26-E28 PolarHBondContact O-N 3.16Å; S26-E28 PolarHBondContact OG-N 2.89Å; E28-A30 PolarHBondContact O-N 2.98Å
29	P	32.3	Very low	34.5	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-57.7	132.1	178.8	24.9	-32.4	0	0	0	108.9	D31	P29-D31 PolarHBondContact O-N 3.43Å; P29-D31 VanDerWaalsContact O-N 3.13Å
30	A	39	Very low	35	Very low	79 Å²	79	133.4 Å²	133.4	65%	0.653	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60.4	117.3	173.2	0	0	0	0	0	108	E28 E32	E28-A30 PolarHBondContact O-N 2.98Å; A30-E32 PolarHBondContact O-N 2.78Å
31	D	37.1	Very low	35.6	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-49.5	131.2	167.9	-76.5	-29	0	0	0	108.5	P29 Q33	P29-D31 PolarHBondContact O-N 3.43Å; P29-D31 VanDerWaalsContact O-N 3.13Å; D31-Q33 CarbonylContact O-C 3.56Å; D31-Q33 PolarHBondContact O-N 3.25Å
32	E	41.1	Very low	36.6	Very low	206 Å²	206	134 Å²	134	96%	0.963	73%	0.725	S	S	*	*	S	Bend	trans	-58	-11	-174.1	-70.7	-178.9	154	0	0	113.9	A30 G34	A30-E32 PolarHBondContact O-N 2.78Å; E32-G34 PolarHBondContact O-N 3.21Å
33	Q	38.8	Very low	37.6	Very low	178 Å²	178	136 Å²	136	83%	0.832	73%	0.728	S	S	*	*	S	Bend	trans	-88.4	89.1	172.4	-63.6	180	9.6	0	0	109	D31 G35	D31-Q33 CarbonylContact O-C 3.56Å; D31-Q33 PolarHBondContact O-N 3.25Å; Q33-G35 PolarHBondContact O-N 2.87Å
34	G	34.5	Very low	39.1	Very low	88 Å²	88	127.6 Å²	127.6	91%	0.907	71%	0.705	S	S	*	*			trans	-58.8	67.3	-179.7	0	0	0	0	0	115.8	E32	E32-G34 PolarHBondContact O-N 3.21Å
35	G	29.6	Very low	40.3	Very low	46 Å²	46	125.3 Å²	125.3	47%	0.474	70%	0.698	S	S	.	*			trans	-140.2	71.4	-177.8	0	0	0	0	0	112.4	Q33 T37	Q33-G35 PolarHBondContact O-N 2.87Å; G35-T37 PolarHBondContact O-N 2.94Å
36	F	40.8	Very low	42.1	Very low	207 Å²	207	125.9 Å²	125.9	91%	0.908	68%	0.681	S	S	*	*			trans	-73.3	53.8	160.5	-81.1	-81.6	0	0	0	111.1
37	T	34	Very low	43.6	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	69%	0.687	S	S	*	*			trans	-142.9	49.8	172.9	46.1	0	0	0	0	110.5	G35 S39	G35-T37 PolarHBondContact O-N 2.94Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.49Å
38	R	39.2	Very low	45.2	Very low	176 Å²	176	128.7 Å²	128.7	66%	0.664	67%	0.673	S	S	*	*			trans	-73.9	91.1	163.4	73.1	-178.8	-178.9	177	-1.6	109	V40 N68	R38-V40 HydrophobicContact CB-CG2 4.03Å; R38-V40 HydrophobicContact CG-CG2 4.37Å; R38-V40 PolarHBondContact O-N 3.47Å; R38-N68 PolarHBondContact NH2-ND2 3.43Å
39	S	36.9	Very low	46.9	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	65%	0.649	S	S	*	*			trans	-74.2	56.9	162.1	49	0	0	0	0	109.4	T37 Y41	T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.49Å; S39-Y41 PolarHBondContact O-N 3.05Å; S39-Y41 VanDerWaalsContact O-N 3.14Å
40	V	42.5	Very low	48.6	Very low	95 Å²	95	122.6 Å²	122.6	58%	0.576	64%	0.644	S	S	*	*			trans	-72.5	112.8	170.4	-175.8	0	0	0	0	106.3	R38 S42	R38-V40 HydrophobicContact CB-CG2 4.03Å; R38-V40 HydrophobicContact CG-CG2 4.37Å; R38-V40 PolarHBondContact O-N 3.47Å; V40-S42 PolarHBondContact O-N 3.46Å; V40-S42 PolarHBondContact O-OG 3.02Å
41	Y	40.7	Very low	49.4	Very low	229 Å²	229	124.7 Å²	124.7	90%	0.898	64%	0.635	S	S	*	*			trans	-26.4	90.8	176.6	-66.2	-89.6	0	0	0	113.2	S39	S39-Y41 PolarHBondContact O-N 3.05Å; S39-Y41 VanDerWaalsContact O-N 3.14Å
42	S	50.5	Low	51	Low	35 Å²	35	125.9 Å²	125.9	25%	0.245	64%	0.641	C	S	.	*			trans	-104.4	122.4	170.1	37.1	0	0	0	0	106.6	V40 L62	V40-S42 PolarHBondContact O-N 3.46Å; V40-S42 PolarHBondContact O-OG 3.02Å; S42-L62 WeakPolarHBondContact O-CD2 3.47Å; S42-L62 WeakPolarHBondContact OG-CB 3.44Å; S42-L62 WeakPolarHBondContact OG-CD1 3.35Å
43	K	54.2	Low	52.6	Low	184 Å²	184	119.5 Å²	119.5	80%	0.8	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.6	133.5	177.1	-68.3	-179	-178.1	173.3	0	108	K45	K43-K45 PolarHBondContact O-N 2.85Å
44	P	57.5	Low	54.1	Low	63 Å²	63	118.7 Å²	118.7	41%	0.409	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61.6	122.9	172.4	25.8	-33.5	0	0	0	109.3	Y46 Y59	P44-Y46 HydrophobicContact CB-CE2 3.82Å; P44-Y46 HydrophobicContact CG-CE2 3.98Å; P44-Y59 HydrophobicContact CB-CD2 4.09Å; P44-Y59 HydrophobicContact CB-CE2 3.49Å; P44-Y59 VanDerWaalsContact CB-CE2 3.49Å
45	K	62.2	Low	56	Low	131 Å²	131	118.5 Å²	118.5	57%	0.57	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.2	136.9	172.5	-164	170.1	-175.5	172.1	0	109	K43 T60 G61 V63	K43-K45 PolarHBondContact O-N 2.85Å; K45-T60 VanDerWaalsContact C-OG1 3.27Å; K45-T60 PolarHBondContact O-N 2.99Å; K45-T60 PolarHBondContact O-OG1 3.18Å; K45-G61 PolarHBondContact N-O 3.45Å; K45-V63 HydrophobicContact CD-CG2 4.45Å
46	Y	66.4	Low	58.3	Low	105 Å²	105	118.6 Å²	118.6	41%	0.412	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	177.1	-59.9	-91.1	0	0	0	110.2	P44 K57 I58 Y59	P44-Y46 HydrophobicContact CB-CE2 3.82Å; P44-Y46 HydrophobicContact CG-CE2 3.98Å; Y46-K57 VanDerWaalsContact CB-CE 3.44Å; Y46-K57 HydrophobicContact CD1-CD 4.09Å; Y46-K57 HydrophobicContact CD1-CG 3.78Å; Y46-K57 HydrophobicContact CG-CD 4.08Å; Y46-K57 HydrophobicContact CG-CG 3.91Å; Y46-I58 CarbonylContact C-O 3.55Å; Y46-I58 WeakPolarHBondContact CA-O 3.33Å; Y46-Y59 HydrophobicContact CD1-CD2 4.28Å; Y46-Y59 AromaticContact CE1-CD2 3.94Å; Y46-Y59 HydrophobicContact CE1-CD2 3.94Å; Y46-Y59 HydrophobicContact CE1-CG 4.47Å
47	K	67.5	Low	59.8	Low	115 Å²	115	114.6 Å²	114.6	50%	0.5	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.1	134.6	171.9	-174.3	178.2	179.9	-175.4	0	109.1	V49 I58 T60	K47-V49 HydrophobicContact CG-CG2 4.41Å; K47-I58 PolarHBondContact N-O 2.84Å; K47-I58 PolarHBondContact O-N 3.12Å; K47-T60 HydrophobicContact CB-CG2 3.49Å; K47-T60 VanDerWaalsContact CB-CG2 3.49Å
48	H	69.7	Low	61.3	Low	119 Å²	119	109.8 Å²	109.8	55%	0.551	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.9	127.4	172.3	-69.6	-93.2	0	0	0	109.3	S55 V56	H48-S55 PolarHBondContact ND1-OG 3.47Å; H48-V56 WeakPolarHBondContact CA-O 3.07Å
49	V	70.1	Confident	62.3	Low	34 Å²	34	106 Å²	106	21%	0.206	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	176.4	177.1	0	0	0	0	108.3	K47 V56 I58	K47-V49 HydrophobicContact CG-CG2 4.41Å; V49-V56 PolarHBondContact N-O 3.3Å; V49-V56 PolarHBondContact O-N 2.88Å; V49-I58 HydrophobicContact CB-CD1 3.62Å; V49-I58 HydrophobicContact CB-CG1 4.27Å; V49-I58 HydrophobicContact CG1-CD1 4.27Å; V49-I58 HydrophobicContact CG2-CD1 3.37Å; V49-I58 HydrophobicContact CG2-CG1 4.16Å
50	V	67.6	Low	63.4	Low	107 Å²	107	102.3 Å²	102.3	65%	0.648	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.2	179.5	-175.6	0	0	0	0	109.3	K54	V50-K54 CarbonylContact C-O 3.52Å; V50-K54 WeakPolarHBondContact CA-O 3.37Å
51	R	55.8	Low	64	Low	123 Å²	123	97.9 Å²	97.9	46%	0.464	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	170.5	-71.6	-167.6	-169.1	-176.1	4.1	109.5	G53 K54 V56 E84	R51-G53 PolarHBondContact O-N 3.15Å; R51-K54 PolarHBondContact N-O 3.14Å; R51-K54 WeakPolarHBondContact O-CA 3.48Å; R51-K54 PolarHBondContact O-N 3.01Å; R51-V56 HydrophobicContact CB-CG2 4.14Å; R51-V56 HydrophobicContact CG-CG2 4.15Å; R51-E84 VanDerWaalsContact CZ-CD 3.44Å; R51-E84 IonicContact CZ-OE1 3.49Å; R51-E84 IonicContact CZ-OE2 3.58Å; R51-E84 IonicContact NE-OE1 3.77Å; R51-E84 IonicContact NE-OE2 2.98Å; R51-E84 PolarHBondContact NE-OE2 3.25Å; R51-E84 IonicContact NH2-OE1 2.65Å; R51-E84 PolarHBondContact NH2-OE1 3.21Å; R51-E84 IonicContact NH2-OE2 3.39Å; R51-E84 PolarHBondContact NH2-OE2 3.22Å
52	D	71.3	Confident	64.6	Low	168 Å²	168	90.9 Å²	90.9	90%	0.898	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	37.5	176.5	-52.2	-31.9	0	0	0	113.5	K54	D52-K54 VanDerWaalsContact C-N 3.34Å; D52-K54 PolarHBondContact O-N 3.44Å
53	G	74.3	Confident	64.7	Low	73 Å²	73	91.7 Å²	91.7	75%	0.753	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-1.6	-175.7	0	0	0	0	0	116.5	R51	R51-G53 PolarHBondContact O-N 3.15Å
54	K	70.9	Confident	64.5	Low	161 Å²	161	84.1 Å²	84.1	70%	0.7	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.8	179.5	-62.3	-179.9	-177.5	176.2	0	112.2	V50 R51 D52 V56	V50-K54 CarbonylContact C-O 3.52Å; V50-K54 WeakPolarHBondContact CA-O 3.37Å; R51-K54 PolarHBondContact N-O 3.14Å; R51-K54 WeakPolarHBondContact O-CA 3.48Å; R51-K54 PolarHBondContact O-N 3.01Å; D52-K54 VanDerWaalsContact C-N 3.34Å; D52-K54 PolarHBondContact O-N 3.44Å; K54-V56 PolarHBondContact O-N 2.94Å
55	S	75.1	Confident	64.3	Low	83 Å²	83	91 Å²	91	58%	0.58	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.8	175.2	-178.3	0	0	0	0	111.1	H48	H48-S55 PolarHBondContact ND1-OG 3.47Å
56	V	76.3	Confident	63.9	Low	48 Å²	48	87.4 Å²	87.4	29%	0.291	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	179.3	-178.4	0	0	0	0	109.8	H48 V49 R51 K54 I58	H48-V56 WeakPolarHBondContact CA-O 3.07Å; V49-V56 PolarHBondContact N-O 3.3Å; V49-V56 PolarHBondContact O-N 2.88Å; R51-V56 HydrophobicContact CB-CG2 4.14Å; R51-V56 HydrophobicContact CG-CG2 4.15Å; K54-V56 PolarHBondContact O-N 2.94Å; V56-I58 PolarHBondContact O-N 3.32Å
57	K	72.8	Confident	63.6	Low	124 Å²	124	90.4 Å²	90.4	54%	0.539	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.3	177.3	-175.3	179.1	175.2	179.7	0	109.8	Y46	Y46-K57 VanDerWaalsContact CB-CE 3.44Å; Y46-K57 HydrophobicContact CD1-CD 4.09Å; Y46-K57 HydrophobicContact CD1-CG 3.78Å; Y46-K57 HydrophobicContact CG-CD 4.08Å; Y46-K57 HydrophobicContact CG-CG 3.91Å
58	I	65.1	Low	63.4	Low	21 Å²	21	87.2 Å²	87.2	11%	0.108	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.7	177.3	-51.8	179.1	0	0	0	109.9	Y46 K47 V49 V56 T60 E84	Y46-I58 CarbonylContact C-O 3.55Å; Y46-I58 WeakPolarHBondContact CA-O 3.33Å; K47-I58 PolarHBondContact N-O 2.84Å; K47-I58 PolarHBondContact O-N 3.12Å; V49-I58 HydrophobicContact CB-CD1 3.62Å; V49-I58 HydrophobicContact CB-CG1 4.27Å; V49-I58 HydrophobicContact CG1-CD1 4.27Å; V49-I58 HydrophobicContact CG2-CD1 3.37Å; V49-I58 HydrophobicContact CG2-CG1 4.16Å; V56-I58 PolarHBondContact O-N 3.32Å; I58-T60 PolarHBondContact O-N 3.1Å; I58-E84 HydrophobicContact CD1-CB 3.88Å; I58-E84 HydrophobicContact CD1-CG 4.21Å; I58-E84 WeakPolarHBondContact CD1-OE2 3.33Å; I58-E84 WeakPolarHBondContact CG1-OE2 3.36Å
59	Y	61.8	Low	63.4	Low	96 Å²	96	86.4 Å²	86.4	38%	0.376	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	120.1	169.9	179	-120.2	0	0	0	111.2	P44 Y46 L62 Q78	P44-Y59 HydrophobicContact CB-CD2 4.09Å; P44-Y59 HydrophobicContact CB-CE2 3.49Å; P44-Y59 VanDerWaalsContact CB-CE2 3.49Å; Y46-Y59 HydrophobicContact CD1-CD2 4.28Å; Y46-Y59 AromaticContact CE1-CD2 3.94Å; Y46-Y59 HydrophobicContact CE1-CD2 3.94Å; Y46-Y59 HydrophobicContact CE1-CG 4.47Å; Y59-L62 VanDerWaalsContact OH-CD2 3.29Å; Y59-L62 WeakPolarHBondContact OH-CD2 3.5Å; Y59-L62 VanDerWaalsContact OH-CG 3.28Å; Y59-L62 WeakPolarHBondContact OH-CG 3.12Å; Y59-Q78 PolarHBondContact O-NE2 3.21Å
60	T	59.5	Low	63.2	Low	34 Å²	34	87 Å²	87	21%	0.209	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-0.1	-178.5	53.9	0	0	0	0	114.5	K45 K47 I58 Q78	K45-T60 VanDerWaalsContact C-OG1 3.27Å; K45-T60 PolarHBondContact O-N 2.99Å; K45-T60 PolarHBondContact O-OG1 3.18Å; K47-T60 HydrophobicContact CB-CG2 3.49Å; K47-T60 VanDerWaalsContact CB-CG2 3.49Å; I58-T60 PolarHBondContact O-N 3.1Å; T60-Q78 VanDerWaalsContact C-CD 3.48Å; T60-Q78 PolarHBondContact O-OE1 2.71Å
61	G	55.7	Low	63.1	Low	2 Å²	2	83 Å²	83	2%	0.021	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.8	-176.8	177.2	0	0	0	0	0	114.1	K45	K45-G61 PolarHBondContact N-O 3.45Å
62	L	52.7	Low	63.4	Low	82 Å²	82	82.3 Å²	82.3	43%	0.429	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.4	175.7	-65.5	179.7	0	0	0	108.4	S42 Y59	S42-L62 WeakPolarHBondContact O-CD2 3.47Å; S42-L62 WeakPolarHBondContact OG-CB 3.44Å; S42-L62 WeakPolarHBondContact OG-CD1 3.35Å; Y59-L62 VanDerWaalsContact OH-CD2 3.29Å; Y59-L62 WeakPolarHBondContact OH-CD2 3.5Å; Y59-L62 VanDerWaalsContact OH-CG 3.28Å; Y59-L62 WeakPolarHBondContact OH-CG 3.12Å
63	V	52.4	Low	63.1	Low	53 Å²	53	80.7 Å²	80.7	32%	0.321	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.9	171.2	-167.6	0	0	0	0	106.5	K45 E75	K45-V63 HydrophobicContact CD-CG2 4.45Å; V63-E75 HydrophobicContact CG2-CG 4.39Å; V63-E75 WeakPolarHBondContact CG2-OE1 3.39Å
64	A	48.9	Very low	62.5	Low	25 Å²	25	84.1 Å²	84.1	21%	0.207	42%	0.424	C	S	.	.			trans	-67.9	140.8	158.8	0	0	0	0	0	107.3	A66	A64-A66 HydrophobicContact CB-CB 4.32Å; A64-A66 PolarHBondContact O-N 2.7Å
65	E	53.9	Low	62.1	Low	207 Å²	207	78.8 Å²	78.8	97%	0.967	40%	0.402	S	S	*	.	S	Bend	trans	-59.9	-16	171.3	-69.3	175.6	173.8	0	0	111.9
66	A	54.1	Low	61.6	Low	55 Å²	55	79.9 Å²	79.9	46%	0.455	40%	0.401	S	S	.	.	S	Bend	trans	-71	127.5	174	0	0	0	0	0	112	A64 N68	A64-A66 HydrophobicContact CB-CB 4.32Å; A64-A66 PolarHBondContact O-N 2.7Å; A66-N68 PolarHBondContact O-N 3.43Å
67	F	60	Low	61.3	Low	168 Å²	168	80.4 Å²	80.4	74%	0.737	40%	0.401	S	S	*	.			trans	-68.4	63.9	174.8	-168	-94.3	0	0	0	111.7
68	N	64.1	Low	60.9	Low	48 Å²	48	77.2 Å²	77.2	26%	0.257	39%	0.389	S	S	.	.			trans	-90	130.4	175.6	-77.6	-36.4	0	0	0	110.9	R38 A66 A70 D71 K72	R38-N68 PolarHBondContact NH2-ND2 3.43Å; A66-N68 PolarHBondContact O-N 3.43Å; N68-A70 PolarHBondContact O-N 2.95Å; N68-D71 HydrophobicContact CB-CB 4.48Å; N68-D71 PolarHBondContact O-N 2.83Å; N68-D71 VanDerWaalsContact O-N 3.1Å; N68-K72 PolarHBondContact O-N 3.1Å
69	P	68	Low	60.8	Low	103 Å²	103	81.7 Å²	81.7	67%	0.669	41%	0.407	S	S	*	.	H	α-helix	trans	-55.6	-35.9	176.1	-25.5	33.5	0	0	0	113.4	D71 K72 Y73	P69-D71 VanDerWaalsContact C-N 3.32Å; P69-D71 PolarHBondContact O-N 3Å; P69-K72 PolarHBondContact O-N 3.44Å; P69-Y73 PolarHBondContact O-N 3.26Å
70	A	67.6	Low	61	Low	45 Å²	45	79.1 Å²	79.1	37%	0.372	41%	0.406	S	S	.	.	H	α-helix	trans	-62.5	-36.5	178.1	0	0	0	0	0	112.9	N68 Y73 R74	N68-A70 PolarHBondContact O-N 2.95Å; A70-Y73 PolarHBondContact O-N 3.07Å; A70-R74 WeakPolarHBondContact O-CG 3.35Å; A70-R74 PolarHBondContact O-N 3.35Å
71	D	63.9	Low	61.1	Low	25 Å²	25	86.2 Å²	86.2	13%	0.134	43%	0.429	C	S	.	.	H	α-helix	trans	-75.8	-37.1	-178.8	-63.2	-25	0	0	0	110.9	N68 P69 Y73 R74 E75	N68-D71 HydrophobicContact CB-CB 4.48Å; N68-D71 PolarHBondContact O-N 2.83Å; N68-D71 VanDerWaalsContact O-N 3.1Å; P69-D71 VanDerWaalsContact C-N 3.32Å; P69-D71 PolarHBondContact O-N 3Å; D71-Y73 VanDerWaalsContact C-N 3.29Å; D71-Y73 PolarHBondContact O-N 3.04Å; D71-R74 PolarHBondContact O-N 3.06Å; D71-R74 IonicContact OD1-NH1 3.75Å; D71-R74 PolarHBondContact OD1-NH1 2.98Å; D71-E75 PolarHBondContact O-N 3.01Å
72	K	63.4	Low	61.4	Low	107 Å²	107	87.4 Å²	87.4	47%	0.465	44%	0.437	S	S	.	.	H	α-helix	trans	-59.5	-39.9	168.1	-71.2	-175.8	179.9	177.2	0	112.2	N68 P69 L76	N68-K72 PolarHBondContact O-N 3.1Å; P69-K72 PolarHBondContact O-N 3.44Å; K72-L76 VanDerWaalsContact O-CB 3.31Å; K72-L76 WeakPolarHBondContact O-CB 3.41Å; K72-L76 PolarHBondContact O-N 2.96Å
73	Y	63.5	Low	61.3	Low	134 Å²	134	94.2 Å²	94.2	53%	0.525	46%	0.457	S	S	.	.	H	α-helix	trans	-67.9	-42.4	177.6	-173.7	-103.4	0	0	0	111.9	P69 A70 D71 L76 L77	P69-Y73 PolarHBondContact O-N 3.26Å; A70-Y73 PolarHBondContact O-N 3.07Å; D71-Y73 VanDerWaalsContact C-N 3.29Å; D71-Y73 PolarHBondContact O-N 3.04Å; Y73-L76 PolarHBondContact O-N 2.89Å; Y73-L77 HydrophobicContact CD1-CD1 3.76Å; Y73-L77 HydrophobicContact CD1-CG 4.12Å; Y73-L77 HydrophobicContact CE1-CD1 3.26Å; Y73-L77 HydrophobicContact CE1-CD2 4.28Å; Y73-L77 HydrophobicContact CE1-CG 3.74Å; Y73-L77 HydrophobicContact CE2-CG 4.5Å; Y73-L77 WeakPolarHBondContact O-CG 3.41Å; Y73-L77 PolarHBondContact O-N 3.15Å
74	R	62.9	Low	61.6	Low	146 Å²	146	93.8 Å²	93.8	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-61	-45.3	173.5	-73.6	-177.1	-173.8	96.1	6	112.1	A70 D71 L76 L77 Q78	A70-R74 WeakPolarHBondContact O-CG 3.35Å; A70-R74 PolarHBondContact O-N 3.35Å; D71-R74 PolarHBondContact O-N 3.06Å; D71-R74 IonicContact OD1-NH1 3.75Å; D71-R74 PolarHBondContact OD1-NH1 2.98Å; R74-L76 VanDerWaalsContact C-N 3.3Å; R74-L76 PolarHBondContact O-N 3.44Å; R74-L77 PolarHBondContact O-N 3.1Å; R74-Q78 WeakPolarHBondContact O-CB 3.49Å; R74-Q78 PolarHBondContact O-N 3.5Å
75	E	63.4	Low	62	Low	48 Å²	48	94 Å²	94	22%	0.224	45%	0.45	C	S	.	.	H	α-helix	trans	-58.1	-43.3	173	-84.1	-162.2	-169.3	0	0	111.9	V63 D71 Q78 K79	V63-E75 HydrophobicContact CG2-CG 4.39Å; V63-E75 WeakPolarHBondContact CG2-OE1 3.39Å; D71-E75 PolarHBondContact O-N 3.01Å; E75-Q78 PolarHBondContact O-N 2.91Å; E75-K79 WeakPolarHBondContact O-CB 3.27Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.16Å; E75-K79 PolarHBondContact O-N 2.92Å; E75-K79 IonicContact OE2-NZ 3.08Å; E75-K79 PolarHBondContact OE2-NZ 3.42Å
76	L	64	Low	62.5	Low	106 Å²	106	88.8 Å²	88.8	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-65.2	-46.7	-179.5	-171.2	155.9	0	0	0	110.8	K72 Y73 R74 K79 A80	K72-L76 VanDerWaalsContact O-CB 3.31Å; K72-L76 WeakPolarHBondContact O-CB 3.41Å; K72-L76 PolarHBondContact O-N 2.96Å; Y73-L76 PolarHBondContact O-N 2.89Å; R74-L76 VanDerWaalsContact C-N 3.3Å; R74-L76 PolarHBondContact O-N 3.44Å; L76-K79 PolarHBondContact O-N 3.32Å; L76-A80 VanDerWaalsContact O-CB 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.97Å
77	L	68.8	Low	63.5	Low	59 Å²	59	89.4 Å²	89.4	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-58.7	-47.7	173.1	-74.3	-179.1	0	0	0	110.5	Y73 R74 K79 A80 W81	Y73-L77 HydrophobicContact CD1-CD1 3.76Å; Y73-L77 HydrophobicContact CD1-CG 4.12Å; Y73-L77 HydrophobicContact CE1-CD1 3.26Å; Y73-L77 HydrophobicContact CE1-CD2 4.28Å; Y73-L77 HydrophobicContact CE1-CG 3.74Å; Y73-L77 HydrophobicContact CE2-CG 4.5Å; Y73-L77 WeakPolarHBondContact O-CG 3.41Å; Y73-L77 PolarHBondContact O-N 3.15Å; R74-L77 PolarHBondContact O-N 3.1Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.06Å; L77-A80 CarbonylContact O-C 3.58Å; L77-A80 PolarHBondContact O-N 3.47Å; L77-W81 WeakPolarHBondContact O-CB 3.44Å; L77-W81 PolarHBondContact O-N 2.93Å
78	Q	65.3	Low	64.5	Low	58 Å²	58	87 Å²	87	27%	0.271	43%	0.426	S	S	.	.	H	α-helix	trans	-63.3	-40.3	-179.4	-167	163.4	-6.3	0	0	112.4	Y59 T60 R74 E75 A80 W81 S82	Y59-Q78 PolarHBondContact O-NE2 3.21Å; T60-Q78 VanDerWaalsContact C-CD 3.48Å; T60-Q78 PolarHBondContact O-OE1 2.71Å; R74-Q78 WeakPolarHBondContact O-CB 3.49Å; R74-Q78 PolarHBondContact O-N 3.5Å; E75-Q78 PolarHBondContact O-N 2.91Å; Q78-A80 VanDerWaalsContact C-N 3.3Å; Q78-A80 PolarHBondContact O-N 3.31Å; Q78-W81 PolarHBondContact O-N 3.14Å; Q78-S82 PolarHBondContact O-N 3.45Å; Q78-S82 PolarHBondContact O-OG 2.92Å
79	K	63.7	Low	65.4	Low	114 Å²	114	90.1 Å²	90.1	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-32.8	172.1	-75.7	166.8	-177.8	155.9	0	113	E75 L76 L77 S82 T85	E75-K79 WeakPolarHBondContact O-CB 3.27Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.16Å; E75-K79 PolarHBondContact O-N 2.92Å; E75-K79 IonicContact OE2-NZ 3.08Å; E75-K79 PolarHBondContact OE2-NZ 3.42Å; L76-K79 PolarHBondContact O-N 3.32Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.06Å; K79-S82 PolarHBondContact O-OG 2.79Å; K79-T85 PolarHBondContact O-OG1 2.94Å
80	A	64.8	Low	65.9	Low	42 Å²	42	86.3 Å²	86.3	35%	0.347	42%	0.418	S	S	.	.	H	α-helix	trans	-79.8	-30.4	177.8	0	0	0	0	0	112.4	L76 L77 Q78 L86	L76-A80 VanDerWaalsContact O-CB 3.31Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 2.97Å; L77-A80 CarbonylContact O-C 3.58Å; L77-A80 PolarHBondContact O-N 3.47Å; Q78-A80 VanDerWaalsContact C-N 3.3Å; Q78-A80 PolarHBondContact O-N 3.31Å; A80-L86 WeakPolarHBondContact O-CD1 3.26Å
81	W	62.3	Low	66.5	Low	183 Å²	183	87.9 Å²	87.9	69%	0.693	42%	0.42	S	S	*	.	H	α-helix	trans	-93.5	-19.7	-176.2	-72.5	60.5	0	0	0	113.3	L77 Q78 R83	L77-W81 WeakPolarHBondContact O-CB 3.44Å; L77-W81 PolarHBondContact O-N 2.93Å; Q78-W81 PolarHBondContact O-N 3.14Å; W81-R83 PolarHBondContact O-N 3.45Å
82	S	60.9	Low	67.5	Low	27 Å²	27	94.7 Å²	94.7	19%	0.189	44%	0.443	C	S	.	.			trans	-64.1	108.1	172.1	49.2	0	0	0	0	110	Q78 K79 E84 T85	Q78-S82 PolarHBondContact O-N 3.45Å; Q78-S82 PolarHBondContact O-OG 2.92Å; K79-S82 PolarHBondContact O-OG 2.79Å; S82-E84 PolarHBondContact O-N 2.63Å; S82-T85 PolarHBondContact O-N 3.34Å; S82-T85 PolarHBondContact O-OG1 2.92Å; S82-T85 VanDerWaalsContact OG-CG2 3.25Å; S82-T85 WeakPolarHBondContact OG-CG2 3.46Å; S82-T85 PolarHBondContact OG-OG1 2.83Å
83	R	51.8	Low	68.4	Low	226 Å²	226	93.7 Å²	93.7	85%	0.853	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-54.2	-25.7	177.8	-72.8	-176.1	164.9	-174.4	-4.9	113.2	W81	W81-R83 PolarHBondContact O-N 3.45Å
84	E	57.3	Low	69.2	Low	43 Å²	43	90.5 Å²	90.5	20%	0.201	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-72.7	-25.9	179.6	-58.9	178.1	-125.1	0	0	114.1	R51 I58 S82	R51-E84 VanDerWaalsContact CZ-CD 3.44Å; R51-E84 IonicContact CZ-OE1 3.49Å; R51-E84 IonicContact CZ-OE2 3.58Å; R51-E84 IonicContact NE-OE1 3.77Å; R51-E84 IonicContact NE-OE2 2.98Å; R51-E84 PolarHBondContact NE-OE2 3.25Å; R51-E84 IonicContact NH2-OE1 2.65Å; R51-E84 PolarHBondContact NH2-OE1 3.21Å; R51-E84 IonicContact NH2-OE2 3.39Å; R51-E84 PolarHBondContact NH2-OE2 3.22Å; I58-E84 HydrophobicContact CD1-CB 3.88Å; I58-E84 HydrophobicContact CD1-CG 4.21Å; I58-E84 WeakPolarHBondContact CD1-OE2 3.33Å; I58-E84 WeakPolarHBondContact CG1-OE2 3.36Å; S82-E84 PolarHBondContact O-N 2.63Å
85	T	58.5	Low	70.4	Confident	31 Å²	31	88.4 Å²	88.4	19%	0.19	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-95.4	-6.2	-180	57	0	0	0	0	113.2	K79 S82 S90	K79-T85 PolarHBondContact O-OG1 2.94Å; S82-T85 PolarHBondContact O-N 3.34Å; S82-T85 PolarHBondContact O-OG1 2.92Å; S82-T85 VanDerWaalsContact OG-CG2 3.25Å; S82-T85 WeakPolarHBondContact OG-CG2 3.46Å; S82-T85 PolarHBondContact OG-OG1 2.83Å; T85-S90 WeakPolarHBondContact CA-OG 3.29Å; T85-S90 PolarHBondContact O-OG 3.33Å
86	L	64.2	Low	71.7	Confident	97 Å²	97	89.8 Å²	89.8	51%	0.508	45%	0.446	S	S	.	.	S	Bend	trans	-100.8	10.8	176.4	-72.5	-177.9	0	0	0	113	A80 L91	A80-L86 WeakPolarHBondContact O-CD1 3.26Å; L86-L91 HydrophobicContact CD2-CD2 4.43Å
87	T	75	Confident	72.7	Confident	67 Å²	67	87.5 Å²	87.5	41%	0.411	44%	0.439	S	S	.	.	S	Bend	trans	-65	150.3	168.7	60	0	0	0	0	110	D89 S90 L91	T87-D89 PolarHBondContact O-N 3.3Å; T87-S90 PolarHBondContact N-OG 2.97Å; T87-S90 PolarHBondContact O-N 3.38Å; T87-S90 VanDerWaalsContact O-N 3.14Å; T87-S90 PolarHBondContact O-OG 2.8Å; T87-S90 VanDerWaalsContact OG1-CB 3.27Å; T87-S90 WeakPolarHBondContact OG1-CB 3.39Å; T87-S90 PolarHBondContact OG1-N 3.31Å; T87-S90 PolarHBondContact OG1-OG 3.14Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 3.06Å
88	V	82.2	Confident	73.7	Confident	119 Å²	119	93 Å²	93	72%	0.721	46%	0.456	S	S	*	.	H	α-helix	trans	-57.1	-37.4	178.4	-178.6	0	0	0	0	110.9	L91 R92	V88-L91 PolarHBondContact O-N 3.16Å; V88-R92 WeakPolarHBondContact O-CB 3.31Å; V88-R92 PolarHBondContact O-N 3.5Å
89	D	81.7	Confident	74.9	Confident	113 Å²	113	95.3 Å²	95.3	60%	0.604	47%	0.469	S	S	*	.	H	α-helix	trans	-69	-40.6	177.5	-61.6	-46.5	0	0	0	113.2	T87 R92 T93	T87-D89 PolarHBondContact O-N 3.3Å; D89-R92 PolarHBondContact O-N 3.26Å; D89-T93 WeakPolarHBondContact O-CG2 3.27Å; D89-T93 PolarHBondContact O-N 3.11Å; D89-T93 PolarHBondContact O-OG1 3.45Å
90	S	78.2	Confident	76.1	Confident	22 Å²	22	97.3 Å²	97.3	15%	0.154	47%	0.473	C	S	.	.	H	α-helix	trans	-67.6	-38.5	174.6	57	0	0	0	0	111.2	T85 T87 T93 L94	T85-S90 WeakPolarHBondContact CA-OG 3.29Å; T85-S90 PolarHBondContact O-OG 3.33Å; T87-S90 PolarHBondContact N-OG 2.97Å; T87-S90 PolarHBondContact O-N 3.38Å; T87-S90 VanDerWaalsContact O-N 3.14Å; T87-S90 PolarHBondContact O-OG 2.8Å; T87-S90 VanDerWaalsContact OG1-CB 3.27Å; T87-S90 WeakPolarHBondContact OG1-CB 3.39Å; T87-S90 PolarHBondContact OG1-N 3.31Å; T87-S90 PolarHBondContact OG1-OG 3.14Å; S90-T93 WeakPolarHBondContact CA-OG1 3.33Å; S90-T93 PolarHBondContact O-N 3.2Å; S90-T93 PolarHBondContact O-OG1 2.64Å; S90-L94 VanDerWaalsContact O-CB 3.25Å; S90-L94 WeakPolarHBondContact O-CB 3.38Å; S90-L94 WeakPolarHBondContact O-CD1 3.33Å; S90-L94 WeakPolarHBondContact O-CG 3.38Å; S90-L94 PolarHBondContact O-N 3.35Å
91	L	80.2	Confident	77.2	Confident	78 Å²	78	98.3 Å²	98.3	41%	0.408	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-43.1	171.6	-71.5	173.8	0	0	0	111.9	L86 T87 V88 L94 L95	L86-L91 HydrophobicContact CD2-CD2 4.43Å; T87-L91 WeakPolarHBondContact O-CG 3.48Å; T87-L91 PolarHBondContact O-N 3.06Å; V88-L91 PolarHBondContact O-N 3.16Å; L91-L94 PolarHBondContact O-N 2.98Å; L91-L95 WeakPolarHBondContact O-CB 3.16Å; L91-L95 WeakPolarHBondContact O-CG 3.28Å; L91-L95 PolarHBondContact O-N 3.45Å
92	R	86	Confident	78.6	Confident	168 Å²	168	97.8 Å²	97.8	63%	0.634	47%	0.468	S	S	*	.	H	α-helix	trans	-61.2	-49.2	176.4	-178.2	179.5	-178.2	166	1.6	111.6	V88 D89 L94 L95 L96	V88-R92 WeakPolarHBondContact O-CB 3.31Å; V88-R92 PolarHBondContact O-N 3.5Å; D89-R92 PolarHBondContact O-N 3.26Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.38Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-L96 HydrophobicContact CG-CD1 4.22Å; R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 3.18Å
93	T	82.8	Confident	80.1	Confident	86 Å²	86	97.4 Å²	97.4	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-39	177.6	53.4	0	0	0	0	111.7	D89 S90 L96 S97	D89-T93 WeakPolarHBondContact O-CG2 3.27Å; D89-T93 PolarHBondContact O-N 3.11Å; D89-T93 PolarHBondContact O-OG1 3.45Å; S90-T93 WeakPolarHBondContact CA-OG1 3.33Å; S90-T93 PolarHBondContact O-N 3.2Å; S90-T93 PolarHBondContact O-OG1 2.64Å; T93-L96 PolarHBondContact O-N 3.4Å; T93-S97 WeakPolarHBondContact O-CB 3.36Å; T93-S97 PolarHBondContact O-N 2.83Å; T93-S97 PolarHBondContact O-OG 3.1Å
94	L	80.1	Confident	82	Confident	67 Å²	67	91 Å²	91	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-45.6	173.1	-75.3	171	0	0	0	111.7	S90 L91 R92 S97 R98	S90-L94 VanDerWaalsContact O-CB 3.25Å; S90-L94 WeakPolarHBondContact O-CB 3.38Å; S90-L94 WeakPolarHBondContact O-CD1 3.33Å; S90-L94 WeakPolarHBondContact O-CG 3.38Å; S90-L94 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 2.98Å; R92-L94 VanDerWaalsContact C-N 3.33Å; R92-L94 PolarHBondContact O-N 3.38Å; L94-S97 WeakPolarHBondContact CA-OG 3.33Å; L94-S97 PolarHBondContact O-N 3.1Å; L94-S97 PolarHBondContact O-OG 3Å; L94-R98 WeakPolarHBondContact O-CG 3.5Å; L94-R98 PolarHBondContact O-N 2.92Å
95	L	87.6	Confident	83.6	Confident	103 Å²	103	94.5 Å²	94.5	54%	0.539	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-46.9	176.4	-76.7	172.6	0	0	0	111.8	L91 R92 S97 R98 I99	L91-L95 WeakPolarHBondContact O-CB 3.16Å; L91-L95 WeakPolarHBondContact O-CG 3.28Å; L91-L95 PolarHBondContact O-N 3.45Å; R92-L95 PolarHBondContact O-N 2.98Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.1Å; L95-R98 PolarHBondContact O-N 2.97Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.83Å
96	L	89.7	Confident	85.1	Confident	77 Å²	77	97 Å²	97	40%	0.403	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-42.2	176.7	-70.4	173.4	0	0	0	111.8	R92 T93 R98 I99 R100	R92-L96 HydrophobicContact CG-CD1 4.22Å; R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 3.18Å; T93-L96 PolarHBondContact O-N 3.4Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 2.98Å; L96-I99 PolarHBondContact O-N 3.49Å; L96-R100 WeakPolarHBondContact O-CG 3.34Å; L96-R100 PolarHBondContact O-N 3.49Å
97	S	86.1	Confident	86.4	Confident	58 Å²	58	92.5 Å²	92.5	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-38.5	176.5	74.1	0	0	0	0	111.8	T93 L94 L95 R100 E101	T93-S97 WeakPolarHBondContact O-CB 3.36Å; T93-S97 PolarHBondContact O-N 2.83Å; T93-S97 PolarHBondContact O-OG 3.1Å; L94-S97 WeakPolarHBondContact CA-OG 3.33Å; L94-S97 PolarHBondContact O-N 3.1Å; L94-S97 PolarHBondContact O-OG 3Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.1Å; S97-R100 PolarHBondContact O-N 3.36Å; S97-E101 WeakPolarHBondContact O-CB 3.48Å; S97-E101 PolarHBondContact O-N 3.08Å
98	R	88.8	Confident	87.2	Confident	175 Å²	175	93.5 Å²	93.5	66%	0.66	44%	0.443	S	S	*	.	H	α-helix	trans	-67	-38.4	174.5	-76.2	-175.9	176.2	151.2	-0.3	112.8	L94 L95 L96 E101 R102	L94-R98 WeakPolarHBondContact O-CG 3.5Å; L94-R98 PolarHBondContact O-N 2.92Å; L95-R98 PolarHBondContact O-N 2.97Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 PolarHBondContact O-N 2.98Å; R98-E101 PolarHBondContact O-N 3.48Å; R98-R102 WeakPolarHBondContact O-CB 3.29Å; R98-R102 PolarHBondContact O-N 3.12Å
99	I	90.3	Very high	87.6	Confident	106 Å²	106	88.3 Å²	88.3	54%	0.544	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-45.4	176.2	-68.7	165.8	0	0	0	110.1	L95 L96 R102 N103	L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 2.83Å; L96-I99 PolarHBondContact O-N 3.49Å; I99-R102 PolarHBondContact O-N 3.31Å; I99-N103 WeakPolarHBondContact O-CB 3.07Å; I99-N103 PolarHBondContact O-N 3.15Å
100	R	88.9	Confident	88	Confident	155 Å²	155	85.8 Å²	85.8	59%	0.585	40%	0.402	S	S	*	.	H	α-helix	trans	-61.9	-45.2	176	-70.2	177.3	-172.6	172.2	0.7	111.9	L96 S97 R102 N103 R104	L96-R100 WeakPolarHBondContact O-CG 3.34Å; L96-R100 PolarHBondContact O-N 3.49Å; S97-R100 PolarHBondContact O-N 3.36Å; R100-R102 PolarHBondContact O-N 2.88Å; R100-N103 WeakPolarHBondContact O-CB 3.24Å; R100-N103 PolarHBondContact O-N 3.41Å; R100-N103 VanDerWaalsContact O-N 3.15Å; R100-R104 PolarHBondContact O-N 3.08Å
101	E	89.1	Confident	88.6	Confident	64 Å²	64	90.1 Å²	90.1	30%	0.299	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-45.9	177.3	-177.9	56.8	-146.4	0	0	111.6	S97 R98 N103 R104 Q105	S97-E101 WeakPolarHBondContact O-CB 3.48Å; S97-E101 PolarHBondContact O-N 3.08Å; R98-E101 PolarHBondContact O-N 3.48Å; E101-N103 VanDerWaalsContact C-N 3.28Å; E101-N103 PolarHBondContact O-N 2.94Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 PolarHBondContact O-N 2.96Å; E101-R104 IonicContact OE1-CZ 3.02Å; E101-R104 IonicContact OE1-NE 3.31Å; E101-R104 PolarHBondContact OE1-NE 3.33Å; E101-R104 IonicContact OE1-NH2 2.7Å; E101-R104 PolarHBondContact OE1-NH2 3.1Å; E101-R104 IonicContact OE2-CZ 3.18Å; E101-R104 IonicContact OE2-NE 2.67Å; E101-R104 PolarHBondContact OE2-NE 3.19Å; E101-R104 IonicContact OE2-NH1 2.78Å; E101-R104 IonicContact OE2-NH2 2.82Å; E101-R104 PolarHBondContact OE2-NH2 3.09Å; E101-Q105 WeakPolarHBondContact O-CG 3.48Å; E101-Q105 PolarHBondContact O-N 2.98Å; E101-Q105 PolarHBondContact OE1-NE2 3.22Å; E101-Q105 VanDerWaalsContact OE1-NE2 3.09Å
102	R	91.6	Very high	89.2	Confident	172 Å²	172	93.9 Å²	93.9	65%	0.649	44%	0.437	S	S	*	.	H	α-helix	trans	-62.6	-37.8	175.8	-173.3	175.7	-173.7	153.7	1.4	111.7	R98 I99 R100 Q105 K106	R98-R102 WeakPolarHBondContact O-CB 3.29Å; R98-R102 PolarHBondContact O-N 3.12Å; I99-R102 PolarHBondContact O-N 3.31Å; R100-R102 PolarHBondContact O-N 2.88Å; R102-Q105 PolarHBondContact O-N 3.4Å; R102-K106 WeakPolarHBondContact O-CG 3.31Å; R102-K106 PolarHBondContact O-N 3.18Å
103	N	92.3	Very high	89.3	Confident	19 Å²	19	87.8 Å²	87.8	10%	0.102	42%	0.416	C	S	.	.	H	α-helix	trans	-65.1	-44.7	176.1	-176.4	51.7	0	0	0	111.6	I99 R100 E101 Q105 K106 Q107 N172	I99-N103 WeakPolarHBondContact O-CB 3.07Å; I99-N103 PolarHBondContact O-N 3.15Å; R100-N103 WeakPolarHBondContact O-CB 3.24Å; R100-N103 PolarHBondContact O-N 3.41Å; R100-N103 VanDerWaalsContact O-N 3.15Å; E101-N103 VanDerWaalsContact C-N 3.28Å; E101-N103 PolarHBondContact O-N 2.94Å; N103-Q105 PolarHBondContact O-N 3.43Å; N103-K106 WeakPolarHBondContact O-CB 3.38Å; N103-K106 PolarHBondContact O-N 3.26Å; N103-Q107 PolarHBondContact ND2-NE2 3.11Å; N103-Q107 WeakPolarHBondContact O-CG 3.46Å; N103-Q107 PolarHBondContact OD1-NE2 2.63Å; N103-N172 PolarHBondContact ND2-O 3.5Å; N103-N172 PolarHBondContact ND2-OD1 3.02Å; N103-N172 PolarHBondContact OD1-O 3.4Å
104	R	91.6	Very high	89.7	Confident	91 Å²	91	85.2 Å²	85.2	34%	0.343	40%	0.4	S	S	.	.	H	α-helix	trans	-57.5	-47.4	173.4	-173.7	-177.7	68.9	-176.9	8.1	111.5	R100 E101 K106 Q107 I108 E176	R100-R104 PolarHBondContact O-N 3.08Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 PolarHBondContact O-N 2.96Å; E101-R104 IonicContact OE1-CZ 3.02Å; E101-R104 IonicContact OE1-NE 3.31Å; E101-R104 PolarHBondContact OE1-NE 3.33Å; E101-R104 IonicContact OE1-NH2 2.7Å; E101-R104 PolarHBondContact OE1-NH2 3.1Å; E101-R104 IonicContact OE2-CZ 3.18Å; E101-R104 IonicContact OE2-NE 2.67Å; E101-R104 PolarHBondContact OE2-NE 3.19Å; E101-R104 IonicContact OE2-NH1 2.78Å; E101-R104 IonicContact OE2-NH2 2.82Å; E101-R104 PolarHBondContact OE2-NH2 3.09Å; R104-K106 PolarHBondContact O-N 3.15Å; R104-Q107 WeakPolarHBondContact O-CB 3.21Å; R104-Q107 PolarHBondContact O-N 3.4Å; R104-I108 HydrophobicContact CG-CD1 4.29Å; R104-I108 PolarHBondContact O-N 2.96Å; R104-E176 VanDerWaalsContact CD-OE1 3.24Å; R104-E176 WeakPolarHBondContact CD-OE1 3.17Å; R104-E176 HydrophobicContact CG-CB 4.45Å; R104-E176 HydrophobicContact CG-CG 4.24Å
105	Q	90.8	Very high	90.2	Very high	117 Å²	117	89.4 Å²	89.4	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-29	179.1	-72.5	175.5	3.4	0	0	113.8	E101 R102 N103 Q107	E101-Q105 WeakPolarHBondContact O-CG 3.48Å; E101-Q105 PolarHBondContact O-N 2.98Å; E101-Q105 PolarHBondContact OE1-NE2 3.22Å; E101-Q105 VanDerWaalsContact OE1-NE2 3.09Å; R102-Q105 PolarHBondContact O-N 3.4Å; N103-Q105 PolarHBondContact O-N 3.43Å; Q105-Q107 PolarHBondContact O-N 3.35Å
106	K	90	Very high	90.4	Very high	84 Å²	84	90.1 Å²	90.1	37%	0.365	42%	0.422	S	S	.	.	H	α-helix	trans	-69.9	-19.3	174.8	-73.3	175.6	176.9	-170.1	0	113.4	R102 N103 R104 R129	R102-K106 WeakPolarHBondContact O-CG 3.31Å; R102-K106 PolarHBondContact O-N 3.18Å; N103-K106 WeakPolarHBondContact O-CB 3.38Å; N103-K106 PolarHBondContact O-N 3.26Å; R104-K106 PolarHBondContact O-N 3.15Å; K106-R129 HydrophobicContact CB-CG 4.33Å; K106-R129 HydrophobicContact CG-CG 4.37Å; K106-R129 WeakPolarHBondContact O-CD 3.49Å; K106-R129 PolarHBondContact O-NH1 3.14Å
107	Q	91.9	Very high	90.5	Very high	2 Å²	2	87.4 Å²	87.4	1%	0.009	41%	0.408	C	S	.	.	H	α-helix	trans	-102.3	-20.5	-172.6	-64.6	-176.6	35.1	0	0	113.6	N103 R104 Q105 I109 L130 N172 V174	N103-Q107 PolarHBondContact ND2-NE2 3.11Å; N103-Q107 WeakPolarHBondContact O-CG 3.46Å; N103-Q107 PolarHBondContact OD1-NE2 2.63Å; R104-Q107 WeakPolarHBondContact O-CB 3.21Å; R104-Q107 PolarHBondContact O-N 3.4Å; Q105-Q107 PolarHBondContact O-N 3.35Å; Q107-I109 PolarHBondContact O-N 3.48Å; Q107-L130 HydrophobicContact CG-CD1 3.92Å; Q107-L130 HydrophobicContact CG-CD2 3.63Å; Q107-L130 HydrophobicContact CG-CG 4.12Å; Q107-N172 PolarHBondContact NE2-O 2.78Å; Q107-V174 PolarHBondContact OE1-O 3.14Å
108	I	91.3	Very high	90.8	Very high	87 Å²	87	85 Å²	85	45%	0.446	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-68.4	117.6	175.1	-63.6	167.4	0	0	0	107.8	R104	R104-I108 HydrophobicContact CG-CD1 4.29Å; R104-I108 PolarHBondContact O-N 2.96Å
109	I	90.7	Very high	91	Very high	10 Å²	10	78.6 Å²	78.6	5%	0.051	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-95.9	127.7	170.5	-57.1	172.5	0	0	0	106.4	Q107 E113 V114 A122 I123 M126 F180	Q107-I109 PolarHBondContact O-N 3.48Å; I109-E113 HydrophobicContact CG2-CB 4.29Å; I109-E113 HydrophobicContact CG2-CG 4.43Å; I109-V114 HydrophobicContact CG2-CG2 3.57Å; I109-A122 HydrophobicContact CG2-CB 3.88Å; I109-I123 HydrophobicContact CD1-CG1 4Å; I109-M126 HydrophobicContact CD1-CB 3.84Å; I109-M126 HydrophobicContact CD1-CG 4.22Å; I109-M126 HydrophobicContact CG1-CB 4.02Å; I109-M126 HydrophobicContact CG1-CG 4.24Å; I109-F180 HydrophobicContact CB-CD2 3.9Å; I109-F180 HydrophobicContact CB-CE2 3.71Å; I109-F180 HydrophobicContact CD1-CD2 3.98Å; I109-F180 HydrophobicContact CG1-CD2 4.34Å; I109-F180 HydrophobicContact CG2-CE2 4.35Å
110	S	90.9	Very high	91.2	Very high	60 Å²	60	75 Å²	75	42%	0.42	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-83.2	147.8	177.6	67.6	0	0	0	0	111.1	K112 E113 V114	S110-K112 PolarHBondContact O-N 3.06Å; S110-E113 WeakPolarHBondContact O-CA 3.24Å; S110-E113 VanDerWaalsContact O-CB 3.27Å; S110-E113 WeakPolarHBondContact O-CB 3.46Å; S110-E113 PolarHBondContact O-N 3.27Å; S110-E113 WeakPolarHBondContact OG-CB 3.39Å; S110-E113 PolarHBondContact OG-N 2.81Å; S110-V114 PolarHBondContact O-N 3.46Å; S110-V114 VanDerWaalsContact O-N 3.14Å
111	D	90.8	Very high	91.4	Very high	114 Å²	114	67.8 Å²	67.8	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-57.6	-36	178.9	-58.8	-33.2	0	0	0	112	E113 V114 E115	D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 3.1Å; D111-V114 WeakPolarHBondContact O-CB 3.44Å; D111-V114 PolarHBondContact O-N 3.11Å; D111-V114 VanDerWaalsContact O-N 3.16Å; D111-E115 WeakPolarHBondContact O-CG 3.23Å; D111-E115 PolarHBondContact O-N 2.91Å
112	K	91.5	Very high	91.7	Very high	156 Å²	156	64.7 Å²	64.7	68%	0.678	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-33.1	173.7	-61.8	-176.3	-179.4	-176.8	0	113.1	S110 N116	S110-K112 PolarHBondContact O-N 3.06Å; K112-N116 WeakPolarHBondContact O-CB 3.46Å; K112-N116 VanDerWaalsContact O-CG 3.28Å; K112-N116 PolarHBondContact O-N 2.9Å; K112-N116 PolarHBondContact O-ND2 3.03Å
113	E	88.9	Confident	91.8	Very high	41 Å²	41	56.6 Å²	56.6	19%	0.192	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-40.9	175.9	-171.7	175.2	-171.7	0	0	110	I109 S110 D111 N116 L117 A122 R129	I109-E113 HydrophobicContact CG2-CB 4.29Å; I109-E113 HydrophobicContact CG2-CG 4.43Å; S110-E113 WeakPolarHBondContact O-CA 3.24Å; S110-E113 VanDerWaalsContact O-CB 3.27Å; S110-E113 WeakPolarHBondContact O-CB 3.46Å; S110-E113 PolarHBondContact O-N 3.27Å; S110-E113 WeakPolarHBondContact OG-CB 3.39Å; S110-E113 PolarHBondContact OG-N 2.81Å; D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 3.1Å; E113-N116 PolarHBondContact O-N 3.22Å; E113-L117 HydrophobicContact CG-CD1 3.6Å; E113-L117 WeakPolarHBondContact O-CB 3.12Å; E113-L117 PolarHBondContact O-N 3.5Å; E113-A122 HydrophobicContact CG-CB 4.38Å; E113-R129 IonicContact OE1-NH2 3.35Å
114	V	91	Very high	91.9	Very high	32 Å²	32	55.7 Å²	55.7	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-42	174.9	-177.8	0	0	0	0	111.6	I109 S110 D111 N116 G118 L119 A122 F180	I109-V114 HydrophobicContact CG2-CG2 3.57Å; S110-V114 PolarHBondContact O-N 3.46Å; S110-V114 VanDerWaalsContact O-N 3.14Å; D111-V114 WeakPolarHBondContact O-CB 3.44Å; D111-V114 PolarHBondContact O-N 3.11Å; D111-V114 VanDerWaalsContact O-N 3.16Å; V114-N116 PolarHBondContact O-N 2.9Å; V114-G118 CarbonylContact O-C 3.37Å; V114-G118 WeakPolarHBondContact O-CA 3.41Å; V114-G118 PolarHBondContact O-N 3.17Å; V114-L119 HydrophobicContact CG1-CB 4.33Å; V114-L119 HydrophobicContact CG1-CD1 4.06Å; V114-A122 HydrophobicContact CG2-CB 4.44Å; V114-F180 HydrophobicContact CG2-CE1 4.33Å; V114-F180 HydrophobicContact CG2-CZ 4.44Å
115	E	90.9	Very high	92	Very high	154 Å²	154	53.2 Å²	53.2	72%	0.72	27%	0.268	S	S	*	.	H	α-helix	trans	-64.1	-38.9	177.4	-73.3	172.5	179.5	0	0	112.7	D111	D111-E115 WeakPolarHBondContact O-CG 3.23Å; D111-E115 PolarHBondContact O-N 2.91Å
116	N	92.2	Very high	92.1	Very high	118 Å²	118	47.7 Å²	47.7	63%	0.631	24%	0.242	S	C	*	.	H	α-helix	trans	-82.7	-40.7	-175.3	-72.8	-44.6	0	0	0	113.8	K112 E113 V114 H157	K112-N116 WeakPolarHBondContact O-CB 3.46Å; K112-N116 VanDerWaalsContact O-CG 3.28Å; K112-N116 PolarHBondContact O-N 2.9Å; K112-N116 PolarHBondContact O-ND2 3.03Å; E113-N116 PolarHBondContact O-N 3.22Å; V114-N116 PolarHBondContact O-N 2.9Å; N116-H157 PolarHBondContact O-N 3Å
117	L	91.6	Very high	92.3	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-98	-23.5	-175.8	-67.5	162.6	0	0	0	112.1	E113 I121 N155 H157	E113-L117 HydrophobicContact CG-CD1 3.6Å; E113-L117 WeakPolarHBondContact O-CB 3.12Å; E113-L117 PolarHBondContact O-N 3.5Å; L117-I121 HydrophobicContact CB-CB 4.2Å; L117-I121 HydrophobicContact CB-CG2 3.92Å; L117-I121 HydrophobicContact CD2-CG2 4.01Å; L117-I121 HydrophobicContact CG-CG2 4.44Å; L117-I121 WeakPolarHBondContact O-CB 3.37Å; L117-I121 VanDerWaalsContact O-CD1 3.27Å; L117-I121 WeakPolarHBondContact O-CD1 3.4Å; L117-N155 WeakPolarHBondContact CD2-O 3.43Å; L117-H157 VanDerWaalsContact O-CA 3.29Å; L117-H157 WeakPolarHBondContact O-CA 3.44Å; L117-H157 PolarHBondContact O-ND1 2.89Å
118	G	92.5	Very high	92.4	Very high	8 Å²	8	44 Å²	44	8%	0.082	23%	0.227	C	C	.	.			trans	84.1	161.6	-163.7	0	0	0	0	0	112.4	V114 A122 H157	V114-G118 CarbonylContact O-C 3.37Å; V114-G118 WeakPolarHBondContact O-CA 3.41Å; V114-G118 PolarHBondContact O-N 3.17Å; G118-A122 VanDerWaalsContact O-CB 3.24Å; G118-A122 WeakPolarHBondContact O-CB 3.31Å; G118-A122 PolarHBondContact O-N 3.22Å; G118-H157 WeakPolarHBondContact CA-ND1 3.32Å
119	L	92.7	Very high	92.4	Very high	40 Å²	40	44.7 Å²	44.7	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-52	-173.2	-173	71.9	0	0	0	112.9	V114 I121 A122 I123 F180 C183 L184	V114-L119 HydrophobicContact CG1-CB 4.33Å; V114-L119 HydrophobicContact CG1-CD1 4.06Å; L119-I121 PolarHBondContact O-N 3.16Å; L119-A122 PolarHBondContact O-N 2.96Å; L119-I123 HydrophobicContact CD1-CD1 4.15Å; L119-I123 HydrophobicContact CG-CD1 3.93Å; L119-I123 WeakPolarHBondContact O-CB 3.39Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 3.11Å; L119-F180 HydrophobicContact CD1-CB 4Å; L119-F180 HydrophobicContact CD1-CD1 3.85Å; L119-F180 HydrophobicContact CD1-CG 4.25Å; L119-C183 HydrophobicContact CD1-CB 4.48Å; L119-C183 HydrophobicContact CD2-CB 3.5Å; L119-C183 VanDerWaalsContact CD2-CB 3.5Å; L119-L184 HydrophobicContact CD2-CD2 4.34Å; L119-L184 HydrophobicContact CG-CD2 4.48Å
120	D	93.9	Very high	92.4	Very high	31 Å²	31	45.4 Å²	45.4	17%	0.166	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-47.8	-179.7	-71.9	-92.5	0	0	0	111.7	I123 A124 F161 I163 L184	D120-I123 PolarHBondContact O-N 3.28Å; D120-A124 PolarHBondContact O-N 3.4Å; D120-F161 HydrophobicContact CB-CD1 4.23Å; D120-F161 VanDerWaalsContact CB-O 3.29Å; D120-F161 WeakPolarHBondContact CB-O 3.15Å; D120-I163 HydrophobicContact CB-CD1 4.29Å; D120-I163 HydrophobicContact CB-CG1 4.23Å; D120-I163 WeakPolarHBondContact O-CD1 3.33Å; D120-I163 PolarHBondContact OD1-N 2.91Å; D120-L184 WeakPolarHBondContact OD1-CD2 3.34Å
121	I	94.1	Very high	92.4	Very high	2 Å²	2	45 Å²	45	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-42.9	-178.7	-65.5	166.9	0	0	0	110.8	L117 L119 I123 A124 H125 P154 K156 V158 F161	L117-I121 HydrophobicContact CB-CB 4.2Å; L117-I121 HydrophobicContact CB-CG2 3.92Å; L117-I121 HydrophobicContact CD2-CG2 4.01Å; L117-I121 HydrophobicContact CG-CG2 4.44Å; L117-I121 WeakPolarHBondContact O-CB 3.37Å; L117-I121 VanDerWaalsContact O-CD1 3.27Å; L117-I121 WeakPolarHBondContact O-CD1 3.4Å; L119-I121 PolarHBondContact O-N 3.16Å; I121-I123 VanDerWaalsContact C-N 3.3Å; I121-I123 PolarHBondContact O-N 2.68Å; I121-A124 WeakPolarHBondContact O-CB 3.4Å; I121-A124 PolarHBondContact O-N 3.22Å; I121-H125 PolarHBondContact O-CD2 2.95Å; I121-H125 VanDerWaalsContact O-CD2 3.23Å; I121-H125 PolarHBondContact O-N 3.25Å; I121-P154 HydrophobicContact CD1-CB 4.22Å; I121-P154 HydrophobicContact CD1-CG 4.5Å; I121-P154 WeakPolarHBondContact CG2-O 3.29Å; I121-K156 WeakPolarHBondContact CD1-O 3.32Å; I121-V158 HydrophobicContact CD1-CB 4.14Å; I121-V158 HydrophobicContact CD1-CG2 4.48Å; I121-F161 HydrophobicContact CB-CD1 4.39Å; I121-F161 HydrophobicContact CD1-CB 4.02Å; I121-F161 HydrophobicContact CD1-CD1 4.36Å; I121-F161 HydrophobicContact CD1-CG 4.21Å; I121-F161 HydrophobicContact CG1-CB 3.93Å; I121-F161 HydrophobicContact CG1-CD1 3.36Å; I121-F161 HydrophobicContact CG1-CD2 4.44Å; I121-F161 HydrophobicContact CG1-CE1 3.91Å; I121-F161 HydrophobicContact CG1-CG 3.66Å
122	A	94	Very high	92.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-41.4	176.2	0	0	0	0	0	111.8	I109 E113 V114 G118 L119 H125 M126	I109-A122 HydrophobicContact CG2-CB 3.88Å; E113-A122 HydrophobicContact CG-CB 4.38Å; V114-A122 HydrophobicContact CG2-CB 4.44Å; G118-A122 VanDerWaalsContact O-CB 3.24Å; G118-A122 WeakPolarHBondContact O-CB 3.31Å; G118-A122 PolarHBondContact O-N 3.22Å; L119-A122 PolarHBondContact O-N 2.96Å; A122-H125 PolarHBondContact O-N 2.81Å; A122-M126 PolarHBondContact O-N 2.91Å
123	I	94.5	Very high	92.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-43	174.6	-69.1	165.9	0	0	0	110.9	I109 L119 D120 I121 H125 M126 V127 I163 I166 F180 L181 L184	I109-I123 HydrophobicContact CD1-CG1 4Å; L119-I123 HydrophobicContact CD1-CD1 4.15Å; L119-I123 HydrophobicContact CG-CD1 3.93Å; L119-I123 WeakPolarHBondContact O-CB 3.39Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.34Å; L119-I123 PolarHBondContact O-N 3.11Å; D120-I123 PolarHBondContact O-N 3.28Å; I121-I123 VanDerWaalsContact C-N 3.3Å; I121-I123 PolarHBondContact O-N 2.68Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 2.64Å; I123-M126 HydrophobicContact CG2-CE 4.36Å; I123-M126 WeakPolarHBondContact O-CB 3.36Å; I123-M126 PolarHBondContact O-N 2.97Å; I123-M126 VanDerWaalsContact O-N 3.14Å; I123-V127 HydrophobicContact CG2-CG2 4.11Å; I123-V127 VanDerWaalsContact O-CG2 3.3Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.89Å; I123-I163 HydrophobicContact CB-CD1 4.34Å; I123-I163 HydrophobicContact CG2-CD1 4.18Å; I123-I166 HydrophobicContact CG2-CD1 4.12Å; I123-F180 HydrophobicContact CD1-CB 3.89Å; I123-F180 HydrophobicContact CG1-CB 4.12Å; I123-L181 HydrophobicContact CD1-CD2 4.43Å; I123-L181 HydrophobicContact CG2-CD2 3.72Å; I123-L184 HydrophobicContact CD1-CD1 3.88Å; I123-L184 HydrophobicContact CD1-CD2 3.57Å; I123-L184 HydrophobicContact CD1-CG 3.66Å; I123-L184 HydrophobicContact CG2-CD1 4.35Å
124	A	94.5	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-43.8	175.7	0	0	0	0	0	111.9	D120 I121 M126 V127 C128 V134 L153 F161 I163	D120-A124 PolarHBondContact O-N 3.4Å; I121-A124 WeakPolarHBondContact O-CB 3.4Å; I121-A124 PolarHBondContact O-N 3.22Å; A124-M126 PolarHBondContact O-N 3.4Å; A124-V127 PolarHBondContact O-N 3.1Å; A124-C128 VanDerWaalsContact O-CB 3.32Å; A124-C128 WeakPolarHBondContact O-CB 3.45Å; A124-C128 PolarHBondContact O-N 3.27Å; A124-C128 PolarHBondContact O-SG 3.18Å; A124-V134 HydrophobicContact CB-CG2 4.11Å; A124-L153 HydrophobicContact CB-CD1 4.31Å; A124-L153 HydrophobicContact CB-CD2 4.03Å; A124-F161 HydrophobicContact CB-CE1 3.78Å; A124-F161 HydrophobicContact CB-CZ 3.96Å; A124-I163 HydrophobicContact CB-CD1 4.1Å
125	H	93	Very high	93.2	Very high	39 Å²	39	34.2 Å²	34.2	18%	0.181	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-43.5	174.5	-83.3	-74.6	0	0	0	112.2	I121 A122 I123 C128 R129 L153	I121-H125 PolarHBondContact O-CD2 2.95Å; I121-H125 VanDerWaalsContact O-CD2 3.23Å; I121-H125 PolarHBondContact O-N 3.25Å; A122-H125 PolarHBondContact O-N 2.81Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 2.64Å; H125-C128 PolarHBondContact O-N 3.32Å; H125-R129 VanDerWaalsContact O-CB 3.3Å; H125-R129 WeakPolarHBondContact O-CB 3.44Å; H125-R129 PolarHBondContact O-N 3.33Å; H125-L153 HydrophobicContact CB-CD1 4.38Å; H125-L153 VanDerWaalsContact CE1-CB 3.45Å; H125-L153 WeakPolarHBondContact CE1-CB 3.28Å; H125-L153 WeakPolarHBondContact ND1-CD1 3.45Å
126	M	93.3	Very high	93.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-49.6	176.7	179	-82.5	-69.4	0	0	111.7	I109 A122 I123 A124 C128 R129 L130 I173 G177	I109-M126 HydrophobicContact CD1-CB 3.84Å; I109-M126 HydrophobicContact CD1-CG 4.22Å; I109-M126 HydrophobicContact CG1-CB 4.02Å; I109-M126 HydrophobicContact CG1-CG 4.24Å; A122-M126 PolarHBondContact O-N 2.91Å; I123-M126 HydrophobicContact CG2-CE 4.36Å; I123-M126 WeakPolarHBondContact O-CB 3.36Å; I123-M126 PolarHBondContact O-N 2.97Å; I123-M126 VanDerWaalsContact O-N 3.14Å; A124-M126 PolarHBondContact O-N 3.4Å; M126-C128 VanDerWaalsContact C-N 3.34Å; M126-C128 PolarHBondContact O-N 3.15Å; M126-R129 WeakPolarHBondContact O-CB 3.23Å; M126-R129 PolarHBondContact O-N 2.63Å; M126-L130 WeakPolarHBondContact O-CG 3.47Å; M126-L130 PolarHBondContact O-N 3.39Å; M126-L130 VanDerWaalsContact O-N 3.14Å; M126-L130 HydrophobicContact SD-CD1 3.58Å; M126-L130 VanDerWaalsContact SD-CD1 3.58Å; M126-L130 HydrophobicContact SD-CG 4.33Å; M126-I173 HydrophobicContact SD-CD1 4.45Å; M126-G177 WeakPolarHBondContact CE-O 3.36Å
127	V	94.6	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-45.7	178.4	172.1	0	0	0	0	110.6	I123 A124 R129 L130 G131 G132 V134 I166 L168	I123-V127 HydrophobicContact CG2-CG2 4.11Å; I123-V127 VanDerWaalsContact O-CG2 3.3Å; I123-V127 WeakPolarHBondContact O-CG2 3.49Å; I123-V127 PolarHBondContact O-N 2.89Å; A124-V127 PolarHBondContact O-N 3.1Å; V127-R129 PolarHBondContact O-N 3.29Å; V127-L130 WeakPolarHBondContact O-CB 3.5Å; V127-L130 PolarHBondContact O-N 3.47Å; V127-G131 PolarHBondContact O-N 3.32Å; V127-G132 WeakPolarHBondContact O-CA 3.36Å; V127-G132 PolarHBondContact O-N 2.98Å; V127-V134 HydrophobicContact CB-CG1 3.88Å; V127-V134 HydrophobicContact CG1-CG1 3.6Å; V127-V134 HydrophobicContact CG2-CG1 4.17Å; V127-I166 HydrophobicContact CG1-CG2 4.3Å; V127-I166 HydrophobicContact CG2-CG2 4Å; V127-L168 HydrophobicContact CB-CD2 4.31Å; V127-L168 HydrophobicContact CG1-CD2 3.86Å; V127-L168 HydrophobicContact CG1-CG 4.47Å; V127-L168 HydrophobicContact CG2-CD2 4.13Å
128	C	93.1	Very high	93.3	Very high	10 Å²	10	28.4 Å²	28.4	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-34.1	179.8	-66.4	0	0	0	0	112.4	A124 H125 M126 L130 G131 P145 P151 L153	A124-C128 VanDerWaalsContact O-CB 3.32Å; A124-C128 WeakPolarHBondContact O-CB 3.45Å; A124-C128 PolarHBondContact O-N 3.27Å; A124-C128 PolarHBondContact O-SG 3.18Å; H125-C128 PolarHBondContact O-N 3.32Å; M126-C128 VanDerWaalsContact C-N 3.34Å; M126-C128 PolarHBondContact O-N 3.15Å; C128-L130 PolarHBondContact O-N 2.86Å; C128-G131 PolarHBondContact O-N 3.39Å; C128-G131 VanDerWaalsContact O-N 3.1Å; C128-P145 WeakPolarHBondContact O-CG 3.11Å; C128-P151 HydrophobicContact CB-CG 3.69Å; C128-P151 WeakPolarHBondContact SG-CG 3.09Å; C128-L153 HydrophobicContact CB-CD1 4.39Å
129	R	91.3	Very high	93.2	Very high	100 Å²	100	33.4 Å²	33.4	38%	0.377	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-27	174.7	-167.7	-176.8	-57.5	113.8	0.3	112.7	K106 E113 H125 M126 V127 G131	K106-R129 HydrophobicContact CB-CG 4.33Å; K106-R129 HydrophobicContact CG-CG 4.37Å; K106-R129 WeakPolarHBondContact O-CD 3.49Å; K106-R129 PolarHBondContact O-NH1 3.14Å; E113-R129 IonicContact OE1-NH2 3.35Å; H125-R129 VanDerWaalsContact O-CB 3.3Å; H125-R129 WeakPolarHBondContact O-CB 3.44Å; H125-R129 PolarHBondContact O-N 3.33Å; M126-R129 WeakPolarHBondContact O-CB 3.23Å; M126-R129 PolarHBondContact O-N 2.63Å; V127-R129 PolarHBondContact O-N 3.29Å; R129-G131 VanDerWaalsContact C-N 3.31Å
130	L	90.7	Very high	93	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.131	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.9	173.6	-69.3	177.4	0	0	0	113.8	Q107 M126 V127 C128 L168 T171 I173	Q107-L130 HydrophobicContact CG-CD1 3.92Å; Q107-L130 HydrophobicContact CG-CD2 3.63Å; Q107-L130 HydrophobicContact CG-CG 4.12Å; M126-L130 WeakPolarHBondContact O-CG 3.47Å; M126-L130 PolarHBondContact O-N 3.39Å; M126-L130 VanDerWaalsContact O-N 3.14Å; M126-L130 HydrophobicContact SD-CD1 3.58Å; M126-L130 VanDerWaalsContact SD-CD1 3.58Å; M126-L130 HydrophobicContact SD-CG 4.33Å; V127-L130 WeakPolarHBondContact O-CB 3.5Å; V127-L130 PolarHBondContact O-N 3.47Å; C128-L130 PolarHBondContact O-N 2.86Å; L130-L168 HydrophobicContact CD1-CD2 4.1Å; L130-T171 HydrophobicContact CB-CG2 4.25Å; L130-I173 HydrophobicContact CD1-CD1 3.55Å
131	G	91.2	Very high	92.9	Very high	51 Å²	51	41.4 Å²	41.4	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	9.1	-171.5	0	0	0	0	0	113.7	V127 C128 R129	V127-G131 PolarHBondContact O-N 3.32Å; C128-G131 PolarHBondContact O-N 3.39Å; C128-G131 VanDerWaalsContact O-N 3.1Å; R129-G131 VanDerWaalsContact C-N 3.31Å
132	G	93.8	Very high	92.9	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	25%	0.251	C	S	.	.			trans	-81	179.7	172	0	0	0	0	0	112.1	V127 P145 D167	V127-G132 WeakPolarHBondContact O-CA 3.36Å; V127-G132 PolarHBondContact O-N 2.98Å; G132-P145 WeakPolarHBondContact O-CD 3.35Å; G132-D167 CarbonylContact C-O 3.57Å; G132-D167 VanDerWaalsContact CA-O 3.29Å; G132-D167 WeakPolarHBondContact CA-O 3.5Å
133	R	95.1	Very high	92.9	Very high	85 Å²	85	47 Å²	47	32%	0.321	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.6	-179	60.6	-178.8	179.4	-175.9	-1.9	111.3	W142 I143 Q144 D167	R133-W142 HydrophobicContact CB-CE3 3.9Å; R133-W142 VanDerWaalsContact CD-CE3 3.45Å; R133-W142 HydrophobicContact CG-CD2 4.23Å; R133-W142 HydrophobicContact CG-CE3 3.39Å; R133-W142 HydrophobicContact CG-CZ3 3.73Å; R133-I143 CarbonylContact C-O 3.49Å; R133-I143 WeakPolarHBondContact CA-O 3.4Å; R133-I143 WeakPolarHBondContact CB-O 3.36Å; R133-Q144 HydrophobicContact CB-CB 3.51Å; R133-D167 HydrophobicContact CG-CB 3.7Å; R133-D167 IonicContact CZ-OD2 3.39Å; R133-D167 PolarHBondContact N-O 3.4Å; R133-D167 IonicContact NE-OD2 2.69Å; R133-D167 PolarHBondContact NE-OD2 2.93Å; R133-D167 IonicContact NH2-OD2 3.04Å; R133-D167 PolarHBondContact NH2-OD2 2.75Å; R133-D167 PolarHBondContact O-N 2.99Å
134	V	96	Very high	92.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.3	-178.7	-59.2	0	0	0	0	110.8	A124 V127 I143 T165 I166	A124-V134 HydrophobicContact CB-CG2 4.11Å; V127-V134 HydrophobicContact CB-CG1 3.88Å; V127-V134 HydrophobicContact CG1-CG1 3.6Å; V127-V134 HydrophobicContact CG2-CG1 4.17Å; V134-I143 HydrophobicContact CG2-CB 3.84Å; V134-I143 HydrophobicContact CG2-CD1 4.32Å; V134-I143 HydrophobicContact CG2-CG2 4.45Å; V134-I143 PolarHBondContact N-O 3.03Å; V134-I143 PolarHBondContact O-N 3.07Å; V134-T165 CarbonylContact C-O 3.26Å; V134-T165 WeakPolarHBondContact CA-O 3.29Å; V134-I166 HydrophobicContact CG1-CG1 4.17Å
135	Q	95.1	Very high	92.7	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.14	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.4	165.4	-51.5	172	-72.8	0	0	110.2	T140 W142 E164 T165	Q135-T140 PolarHBondContact NE2-O 2.59Å; Q135-W142 HydrophobicContact CG-CD2 3.33Å; Q135-W142 HydrophobicContact CG-CE3 3.31Å; Q135-W142 HydrophobicContact CG-CG 3.89Å; Q135-W142 HydrophobicContact CG-CH2 3.89Å; Q135-W142 HydrophobicContact CG-CZ2 3.91Å; Q135-W142 HydrophobicContact CG-CZ3 3.61Å; Q135-W142 VanDerWaalsContact NE2-CE2 3.26Å; Q135-W142 VanDerWaalsContact NE2-NE1 3.15Å; Q135-W142 VanDerWaalsContact OE1-CH2 3.23Å; Q135-E164 PolarHBondContact O-N 2.99Å; Q135-T165 HydrophobicContact CB-CG2 4.32Å; Q135-T165 WeakPolarHBondContact CB-OG1 3.5Å; Q135-T165 WeakPolarHBondContact CG-OG1 3.42Å; Q135-T165 PolarHBondContact N-O 2.64Å; Q135-T165 PolarHBondContact N-OG1 3.38Å; Q135-T165 PolarHBondContact O-N 3.42Å; Q135-T165 PolarHBondContact OE1-OG1 2.8Å
136	L	94.4	Very high	92.5	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	158.3	177.7	-54.1	178.1	0	0	0	110.7	G138 H139 I143 F161 V162 I163	L136-G138 PolarHBondContact O-N 3.17Å; L136-H139 HydrophobicContact CB-CB 4.13Å; L136-H139 PolarHBondContact O-N 3.27Å; L136-H139 VanDerWaalsContact O-N 3.11Å; L136-I143 HydrophobicContact CD1-CD1 3.98Å; L136-I143 HydrophobicContact CD2-CD1 4.33Å; L136-I143 HydrophobicContact CG-CD1 3.97Å; L136-F161 HydrophobicContact CD1-CD2 3.76Å; L136-F161 HydrophobicContact CD1-CE2 3.75Å; L136-F161 HydrophobicContact CD1-CG 4.43Å; L136-F161 HydrophobicContact CD1-CZ 4.4Å; L136-F161 HydrophobicContact CD2-CD1 3.86Å; L136-F161 HydrophobicContact CD2-CD2 4.02Å; L136-F161 HydrophobicContact CD2-CE1 3.64Å; L136-F161 HydrophobicContact CD2-CE2 3.81Å; L136-F161 HydrophobicContact CD2-CG 4.06Å; L136-F161 HydrophobicContact CD2-CZ 3.62Å; L136-F161 HydrophobicContact CG-CE2 4.33Å; L136-V162 VanDerWaalsContact CA-O 3.23Å; L136-V162 WeakPolarHBondContact CA-O 3.3Å; L136-V162 WeakPolarHBondContact CD2-O 3.13Å; L136-I163 HydrophobicContact CD2-CG1 4.34Å
137	I	92.7	Very high	92.3	Very high	74 Å²	74	63.5 Å²	63.5	38%	0.379	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	128.3	174.9	-60.5	175.7	0	0	0	110	H139 V162 E164 H186	I137-H139 PolarHBondContact O-CD2 2.81Å; I137-H139 PolarHBondContact O-N 3.17Å; I137-H139 VanDerWaalsContact O-N 3.16Å; I137-V162 HydrophobicContact CD1-CB 3.69Å; I137-V162 HydrophobicContact CD1-CG1 3.38Å; I137-V162 HydrophobicContact CG1-CB 4.18Å; I137-V162 HydrophobicContact CG1-CG1 4.11Å; I137-V162 PolarHBondContact N-O 3.15Å; I137-E164 HydrophobicContact CG1-CB 3.85Å; I137-E164 HydrophobicContact CG1-CG 4.49Å; I137-H186 HydrophobicContact CD1-CB 3.59Å; I137-H186 HydrophobicContact CG1-CB 4.42Å
138	G	89.6	Confident	91.7	Very high	75 Å²	75	67.3 Å²	67.3	77%	0.773	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-4	177.2	0	0	0	0	0	115	L136	L136-G138 PolarHBondContact O-N 3.17Å
139	H	89	Confident	91.5	Very high	112 Å²	112	72.1 Å²	72.1	52%	0.519	41%	0.411	S	S	.	.			trans	-101.1	125.9	174.8	-69.5	-84.1	0	0	0	110.5	L136 I137 N141	L136-H139 HydrophobicContact CB-CB 4.13Å; L136-H139 PolarHBondContact O-N 3.27Å; L136-H139 VanDerWaalsContact O-N 3.11Å; I137-H139 PolarHBondContact O-CD2 2.81Å; I137-H139 PolarHBondContact O-N 3.17Å; I137-H139 VanDerWaalsContact O-N 3.16Å; H139-N141 VanDerWaalsContact C-N 3.32Å
140	T	89.2	Confident	91.2	Very high	118 Å²	118	72.1 Å²	72.1	72%	0.724	43%	0.425	S	S	*	.			trans	-79.2	-17.8	174.8	52.5	0	0	0	0	112.8	Q135	Q135-T140 PolarHBondContact NE2-O 2.59Å
141	N	92.7	Very high	91.1	Very high	122 Å²	122	72.1 Å²	72.1	65%	0.652	43%	0.426	S	S	*	.			trans	-75.5	138.1	-176.9	-68.8	-13	0	0	0	112	H139	H139-N141 VanDerWaalsContact C-N 3.32Å
142	W	93.7	Very high	90.9	Very high	84 Å²	84	78 Å²	78	32%	0.318	44%	0.444	S	S	.	.			trans	-87.8	132	172.4	-69	88.5	0	0	0	110.7	R133 Q135 T165 D167	R133-W142 HydrophobicContact CB-CE3 3.9Å; R133-W142 VanDerWaalsContact CD-CE3 3.45Å; R133-W142 HydrophobicContact CG-CD2 4.23Å; R133-W142 HydrophobicContact CG-CE3 3.39Å; R133-W142 HydrophobicContact CG-CZ3 3.73Å; Q135-W142 HydrophobicContact CG-CD2 3.33Å; Q135-W142 HydrophobicContact CG-CE3 3.31Å; Q135-W142 HydrophobicContact CG-CG 3.89Å; Q135-W142 HydrophobicContact CG-CH2 3.89Å; Q135-W142 HydrophobicContact CG-CZ2 3.91Å; Q135-W142 HydrophobicContact CG-CZ3 3.61Å; Q135-W142 VanDerWaalsContact NE2-CE2 3.26Å; Q135-W142 VanDerWaalsContact NE2-NE1 3.15Å; Q135-W142 VanDerWaalsContact OE1-CH2 3.23Å; W142-T165 WeakPolarHBondContact CH2-OG1 3.26Å; W142-D167 HydrophobicContact CH2-CB 4.07Å; W142-D167 HydrophobicContact CZ3-CB 3.76Å
143	I	93.6	Very high	90.7	Very high	34 Å²	34	78.6 Å²	78.6	17%	0.174	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-94.2	114.7	169.2	-54.8	171.3	0	0	0	107.1	R133 V134 L136 P151 L153 F161	R133-I143 CarbonylContact C-O 3.49Å; R133-I143 WeakPolarHBondContact CA-O 3.4Å; R133-I143 WeakPolarHBondContact CB-O 3.36Å; V134-I143 HydrophobicContact CG2-CB 3.84Å; V134-I143 HydrophobicContact CG2-CD1 4.32Å; V134-I143 HydrophobicContact CG2-CG2 4.45Å; V134-I143 PolarHBondContact N-O 3.03Å; V134-I143 PolarHBondContact O-N 3.07Å; L136-I143 HydrophobicContact CD1-CD1 3.98Å; L136-I143 HydrophobicContact CD2-CD1 4.33Å; L136-I143 HydrophobicContact CG-CD1 3.97Å; I143-P151 HydrophobicContact CG2-CB 3.6Å; I143-P151 HydrophobicContact CG2-CG 3.87Å; I143-L153 HydrophobicContact CD1-CD2 4.49Å; I143-L153 HydrophobicContact CG2-CD2 3.82Å; I143-L153 HydrophobicContact CG2-CG 4.41Å; I143-F161 HydrophobicContact CD1-CE2 3.92Å; I143-F161 HydrophobicContact CD1-CZ 3.97Å
144	Q	93	Very high	90.4	Very high	87 Å²	87	76.5 Å²	76.5	41%	0.407	44%	0.443	S	S	.	.			trans	-147.4	151.3	-175.6	71	-176.3	21.9	0	0	111	R133	R133-Q144 HydrophobicContact CB-CB 3.51Å
145	P	91.8	Very high	90	Very high	35 Å²	35	82.8 Å²	82.8	23%	0.227	48%	0.477	C	S	.	.			trans	-66.2	144	169.5	29.9	-34.5	0	0	0	110.6	C128 G132 I149	C128-P145 WeakPolarHBondContact O-CG 3.11Å; G132-P145 WeakPolarHBondContact O-CD 3.35Å; P145-I149 VanDerWaalsContact CA-O 3.29Å; P145-I149 WeakPolarHBondContact CA-O 3.31Å; P145-I149 WeakPolarHBondContact CB-O 3.39Å
146	Y	89.4	Confident	89.7	Confident	177 Å²	177	89.1 Å²	89.1	69%	0.694	50%	0.504	S	S	*	.	B	Isolated β-bridge	trans	-124.7	126.6	178.2	-174	-96.9	0	0	0	110.1	G148 I149	Y146-G148 PolarHBondContact O-N 3.27Å; Y146-G148 VanDerWaalsContact O-N 3.08Å; Y146-I149 PolarHBondContact N-O 3.26Å; Y146-I149 VanDerWaalsContact N-O 3.07Å; Y146-I149 VanDerWaalsContact O-CB 3.3Å; Y146-I149 WeakPolarHBondContact O-CB 3.15Å; Y146-I149 PolarHBondContact O-N 3.46Å
147	A	87.7	Confident	89.5	Confident	90 Å²	90	93.3 Å²	93.3	74%	0.744	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36	178	0	0	0	0	0	114.9	I149	A147-I149 VanDerWaalsContact C-N 3.29Å; A147-I149 PolarHBondContact O-N 3.39Å
148	G	82.7	Confident	89.4	Confident	79 Å²	79	92.3 Å²	92.3	81%	0.814	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.5	-178.4	0	0	0	0	0	115.1	Y146	Y146-G148 PolarHBondContact O-N 3.27Å; Y146-G148 VanDerWaalsContact O-N 3.08Å
149	I	88.6	Confident	89.2	Confident	111 Å²	111	95.1 Å²	95.1	57%	0.569	52%	0.517	S	S	*	.	B	Isolated β-bridge	trans	-88.2	129.4	175.2	-57.2	162.2	0	0	0	108.3	P145 Y146 A147	P145-I149 VanDerWaalsContact CA-O 3.29Å; P145-I149 WeakPolarHBondContact CA-O 3.31Å; P145-I149 WeakPolarHBondContact CB-O 3.39Å; Y146-I149 PolarHBondContact N-O 3.26Å; Y146-I149 VanDerWaalsContact N-O 3.07Å; Y146-I149 VanDerWaalsContact O-CB 3.3Å; Y146-I149 WeakPolarHBondContact O-CB 3.15Å; Y146-I149 PolarHBondContact O-N 3.46Å; A147-I149 VanDerWaalsContact C-N 3.29Å; A147-I149 PolarHBondContact O-N 3.39Å
150	P	86.2	Confident	89.1	Confident	101 Å²	101	94.6 Å²	94.6	66%	0.656	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.5	146.4	175.6	28.4	-34.3	0	0	0	110.5
151	P	88.1	Confident	89.2	Confident	24 Å²	24	89.9 Å²	89.9	16%	0.156	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-66.2	159.6	176.2	23.7	-25.7	0	0	0	111.5	C128 I143 L153	C128-P151 HydrophobicContact CB-CG 3.69Å; C128-P151 WeakPolarHBondContact SG-CG 3.09Å; I143-P151 HydrophobicContact CG2-CB 3.6Å; I143-P151 HydrophobicContact CG2-CG 3.87Å; P151-L153 HydrophobicContact CG-CD1 4.17Å; P151-L153 HydrophobicContact CG-CG 4.25Å; P151-L153 PolarHBondContact O-N 2.91Å
152	I	86	Confident	89.3	Confident	176 Å²	176	85.5 Å²	85.5	90%	0.903	47%	0.473	S	S	*	.			trans	-71.6	102.2	172.8	-58.4	161.9	0	0	0	107.4
153	L	89.9	Confident	89.4	Confident	14 Å²	14	81.5 Å²	81.5	7%	0.073	46%	0.458	C	S	.	.			trans	-114.2	146.1	175.2	-73.3	170.7	0	0	0	109.3	A124 H125 C128 I143 P151 N155 F161	A124-L153 HydrophobicContact CB-CD1 4.31Å; A124-L153 HydrophobicContact CB-CD2 4.03Å; H125-L153 HydrophobicContact CB-CD1 4.38Å; H125-L153 VanDerWaalsContact CE1-CB 3.45Å; H125-L153 WeakPolarHBondContact CE1-CB 3.28Å; H125-L153 WeakPolarHBondContact ND1-CD1 3.45Å; C128-L153 HydrophobicContact CB-CD1 4.39Å; I143-L153 HydrophobicContact CD1-CD2 4.49Å; I143-L153 HydrophobicContact CG2-CD2 3.82Å; I143-L153 HydrophobicContact CG2-CG 4.41Å; P151-L153 HydrophobicContact CG-CD1 4.17Å; P151-L153 HydrophobicContact CG-CG 4.25Å; P151-L153 PolarHBondContact O-N 2.91Å; L153-N155 PolarHBondContact O-N 2.79Å; L153-F161 HydrophobicContact CD2-CE2 4.09Å; L153-F161 HydrophobicContact CD2-CZ 3.65Å
154	P	88.7	Confident	89.4	Confident	41 Å²	41	81.8 Å²	81.8	27%	0.266	46%	0.459	S	S	.	.			trans	-60.6	130.2	174.7	-21.5	32.9	0	0	0	111.5	I121 K156 V158 F161	I121-P154 HydrophobicContact CD1-CB 4.22Å; I121-P154 HydrophobicContact CD1-CG 4.5Å; I121-P154 WeakPolarHBondContact CG2-O 3.29Å; P154-K156 PolarHBondContact O-N 3.23Å; P154-V158 HydrophobicContact CB-CG2 3.83Å; P154-V158 HydrophobicContact CG-CG2 4.25Å; P154-F161 HydrophobicContact CG-CD2 4.02Å; P154-F161 HydrophobicContact CG-CE2 4.31Å
155	N	88.5	Confident	89.6	Confident	133 Å²	133	78.1 Å²	78.1	71%	0.711	44%	0.442	S	S	*	.	S	Bend	trans	-86.7	9.5	176.5	-68.3	-24.6	0	0	0	113.3	L117 L153	L117-N155 WeakPolarHBondContact CD2-O 3.43Å; L153-N155 PolarHBondContact O-N 2.79Å
156	K	88.9	Confident	89.8	Confident	163 Å²	163	76.5 Å²	76.5	71%	0.709	43%	0.432	S	S	*	.	S	Bend	trans	-141.6	158.8	178.7	-68.8	-173.9	177.8	-177.1	0	108.7	I121 P154 V158	I121-K156 WeakPolarHBondContact CD1-O 3.32Å; P154-K156 PolarHBondContact O-N 3.23Å; K156-V158 PolarHBondContact O-N 2.87Å
157	H	89.9	Confident	90.2	Very high	109 Å²	109	68.6 Å²	68.6	51%	0.505	40%	0.402	S	S	.	.			trans	-56.7	130.1	173.5	-169.5	53.2	0	0	0	112.3	N116 L117 G118 D159	N116-H157 PolarHBondContact O-N 3Å; L117-H157 VanDerWaalsContact O-CA 3.29Å; L117-H157 WeakPolarHBondContact O-CA 3.44Å; L117-H157 PolarHBondContact O-ND1 2.89Å; G118-H157 WeakPolarHBondContact CA-ND1 3.32Å; H157-D159 IonicContact CD2-OD1 3.63Å; H157-D159 PolarHBondContact CD2-OD1 2.83Å; H157-D159 IonicContact NE2-OD1 3.7Å; H157-D159 PolarHBondContact NE2-OD1 3.02Å; H157-D159 VanDerWaalsContact NE2-OD1 3.15Å
158	V	89.9	Confident	90.6	Very high	54 Å²	54	64.3 Å²	64.3	33%	0.327	37%	0.366	S	S	.	.			trans	-134.2	115.3	176.8	179.5	0	0	0	0	108	I121 P154 K156 S160 F161	I121-V158 HydrophobicContact CD1-CB 4.14Å; I121-V158 HydrophobicContact CD1-CG2 4.48Å; P154-V158 HydrophobicContact CB-CG2 3.83Å; P154-V158 HydrophobicContact CG-CG2 4.25Å; K156-V158 PolarHBondContact O-N 2.87Å; V158-S160 VanDerWaalsContact CG1-OG 3.26Å; V158-S160 WeakPolarHBondContact CG1-OG 3.38Å; V158-S160 PolarHBondContact O-N 3.33Å; V158-F161 HydrophobicContact CB-CB 4.27Å; V158-F161 HydrophobicContact CG1-CB 4.5Å; V158-F161 WeakPolarHBondContact O-CB 3.32Å; V158-F161 PolarHBondContact O-N 2.92Å
159	D	85.1	Confident	91.2	Very high	134 Å²	134	62.7 Å²	62.7	72%	0.717	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.4	-176	-58.5	-21.9	0	0	0	113.4	H157 F161	H157-D159 IonicContact CD2-OD1 3.63Å; H157-D159 PolarHBondContact CD2-OD1 2.83Å; H157-D159 IonicContact NE2-OD1 3.7Å; H157-D159 PolarHBondContact NE2-OD1 3.02Å; H157-D159 VanDerWaalsContact NE2-OD1 3.15Å; D159-F161 VanDerWaalsContact C-N 3.26Å; D159-F161 PolarHBondContact O-N 3.44Å
160	S	88.4	Confident	91.4	Very high	101 Å²	101	60.1 Å²	60.1	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.7	178.3	63.4	0	0	0	0	114	V158 V162	V158-S160 VanDerWaalsContact CG1-OG 3.26Å; V158-S160 WeakPolarHBondContact CG1-OG 3.38Å; V158-S160 PolarHBondContact O-N 3.33Å; S160-V162 PolarHBondContact O-N 2.93Å
161	F	91.5	Very high	91.7	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.083	31%	0.314	C	S	.	.			trans	-89.5	90.3	-178.5	-164.2	-81.4	0	0	0	110.3	D120 I121 A124 L136 I143 L153 P154 V158 D159 I163	D120-F161 HydrophobicContact CB-CD1 4.23Å; D120-F161 VanDerWaalsContact CB-O 3.29Å; D120-F161 WeakPolarHBondContact CB-O 3.15Å; I121-F161 HydrophobicContact CB-CD1 4.39Å; I121-F161 HydrophobicContact CD1-CB 4.02Å; I121-F161 HydrophobicContact CD1-CD1 4.36Å; I121-F161 HydrophobicContact CD1-CG 4.21Å; I121-F161 HydrophobicContact CG1-CB 3.93Å; I121-F161 HydrophobicContact CG1-CD1 3.36Å; I121-F161 HydrophobicContact CG1-CD2 4.44Å; I121-F161 HydrophobicContact CG1-CE1 3.91Å; I121-F161 HydrophobicContact CG1-CG 3.66Å; A124-F161 HydrophobicContact CB-CE1 3.78Å; A124-F161 HydrophobicContact CB-CZ 3.96Å; L136-F161 HydrophobicContact CD1-CD2 3.76Å; L136-F161 HydrophobicContact CD1-CE2 3.75Å; L136-F161 HydrophobicContact CD1-CG 4.43Å; L136-F161 HydrophobicContact CD1-CZ 4.4Å; L136-F161 HydrophobicContact CD2-CD1 3.86Å; L136-F161 HydrophobicContact CD2-CD2 4.02Å; L136-F161 HydrophobicContact CD2-CE1 3.64Å; L136-F161 HydrophobicContact CD2-CE2 3.81Å; L136-F161 HydrophobicContact CD2-CG 4.06Å; L136-F161 HydrophobicContact CD2-CZ 3.62Å; L136-F161 HydrophobicContact CG-CE2 4.33Å; I143-F161 HydrophobicContact CD1-CE2 3.92Å; I143-F161 HydrophobicContact CD1-CZ 3.97Å; L153-F161 HydrophobicContact CD2-CE2 4.09Å; L153-F161 HydrophobicContact CD2-CZ 3.65Å; P154-F161 HydrophobicContact CG-CD2 4.02Å; P154-F161 HydrophobicContact CG-CE2 4.31Å; V158-F161 HydrophobicContact CB-CB 4.27Å; V158-F161 HydrophobicContact CG1-CB 4.5Å; V158-F161 WeakPolarHBondContact O-CB 3.32Å; V158-F161 PolarHBondContact O-N 2.92Å; D159-F161 VanDerWaalsContact C-N 3.26Å; D159-F161 PolarHBondContact O-N 3.44Å; F161-I163 HydrophobicContact CE1-CG1 4.29Å
162	V	93.7	Very high	91.9	Very high	30 Å²	30	57 Å²	57	18%	0.182	32%	0.32	C	S	.	.			trans	-121.5	128.4	-179.7	-170.6	0	0	0	0	110.4	L136 I137 S160 H186	L136-V162 VanDerWaalsContact CA-O 3.23Å; L136-V162 WeakPolarHBondContact CA-O 3.3Å; L136-V162 WeakPolarHBondContact CD2-O 3.13Å; I137-V162 HydrophobicContact CD1-CB 3.69Å; I137-V162 HydrophobicContact CD1-CG1 3.38Å; I137-V162 HydrophobicContact CG1-CB 4.18Å; I137-V162 HydrophobicContact CG1-CG1 4.11Å; I137-V162 PolarHBondContact N-O 3.15Å; S160-V162 PolarHBondContact O-N 2.93Å; V162-H186 HydrophobicContact CG1-CB 3.7Å; V162-H186 VanDerWaalsContact CG1-CD2 3.46Å; V162-H186 WeakPolarHBondContact CG1-CD2 3.49Å
163	I	95.2	Very high	92.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.5	-177.4	-61.6	171.9	0	0	0	110.7	D120 I123 A124 L136 F161 I166 H186 L187	D120-I163 HydrophobicContact CB-CD1 4.29Å; D120-I163 HydrophobicContact CB-CG1 4.23Å; D120-I163 WeakPolarHBondContact O-CD1 3.33Å; D120-I163 PolarHBondContact OD1-N 2.91Å; I123-I163 HydrophobicContact CB-CD1 4.34Å; I123-I163 HydrophobicContact CG2-CD1 4.18Å; A124-I163 HydrophobicContact CB-CD1 4.1Å; L136-I163 HydrophobicContact CD2-CG1 4.34Å; F161-I163 HydrophobicContact CE1-CG1 4.29Å; I163-I166 HydrophobicContact CG2-CD1 4.02Å; I163-I166 HydrophobicContact CG2-CG1 3.55Å; I163-H186 CarbonylContact O-C 3.55Å; I163-L187 HydrophobicContact CG2-CD1 4.16Å
164	E	95.2	Very high	92.3	Very high	39 Å²	39	49.2 Å²	49.2	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-41.4	172.4	-170.1	172.8	-176.8	0	0	112	Q135 I137 R188 Y189	Q135-E164 PolarHBondContact O-N 2.99Å; I137-E164 HydrophobicContact CG1-CB 3.85Å; I137-E164 HydrophobicContact CG1-CG 4.49Å; E164-R188 HydrophobicContact CG-CB 4.24Å; E164-R188 HydrophobicContact CG-CG 4.45Å; E164-R188 PolarHBondContact O-N 3.23Å; E164-R188 WeakPolarHBondContact OE1-CD 3.17Å; E164-Y189 HydrophobicContact CG-CD2 4.3Å; E164-Y189 HydrophobicContact CG-CE2 4.44Å; E164-Y189 PolarHBondContact O-N 2.93Å
165	T	96.3	Very high	92.5	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.1	-175.2	84.8	0	0	0	0	111.3	V134 Q135 W142 Y189	V134-T165 CarbonylContact C-O 3.26Å; V134-T165 WeakPolarHBondContact CA-O 3.29Å; Q135-T165 HydrophobicContact CB-CG2 4.32Å; Q135-T165 WeakPolarHBondContact CB-OG1 3.5Å; Q135-T165 WeakPolarHBondContact CG-OG1 3.42Å; Q135-T165 PolarHBondContact N-O 2.64Å; Q135-T165 PolarHBondContact N-OG1 3.38Å; Q135-T165 PolarHBondContact O-N 3.42Å; Q135-T165 PolarHBondContact OE1-OG1 2.8Å; W142-T165 WeakPolarHBondContact CH2-OG1 3.26Å; T165-Y189 WeakPolarHBondContact CA-O 3.14Å; T165-Y189 HydrophobicContact CG2-CD2 3.62Å; T165-Y189 HydrophobicContact CG2-CE2 4.49Å; T165-Y189 HydrophobicContact CG2-CG 4Å
166	I	96.8	Very high	92.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.8	174.3	-64.9	176.1	0	0	0	107.8	I123 V127 V134 I163 L168 L181 L184 L187 Y189 L190 K191	I123-I166 HydrophobicContact CG2-CD1 4.12Å; V127-I166 HydrophobicContact CG1-CG2 4.3Å; V127-I166 HydrophobicContact CG2-CG2 4Å; V134-I166 HydrophobicContact CG1-CG1 4.17Å; I163-I166 HydrophobicContact CG2-CD1 4.02Å; I163-I166 HydrophobicContact CG2-CG1 3.55Å; I166-L168 HydrophobicContact CG2-CD1 3.86Å; I166-L168 HydrophobicContact CG2-CG 3.72Å; I166-L181 HydrophobicContact CD1-CD2 3.7Å; I166-L184 HydrophobicContact CD1-CD1 3.87Å; I166-L187 HydrophobicContact CB-CD1 4.15Å; I166-L187 HydrophobicContact CD1-CD1 3.51Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.55Å; I166-Y189 PolarHBondContact N-O 3.17Å; I166-L190 HydrophobicContact CB-CD1 3.87Å; I166-L190 HydrophobicContact CG2-CD1 3.83Å; I166-L190 WeakPolarHBondContact O-CA 3.21Å; I166-K191 PolarHBondContact O-N 2.72Å
167	D	96.4	Very high	92.6	Very high	11 Å²	11	41 Å²	41	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109.1	171.7	-174.9	8	0	0	0	109.9	G132 R133 W142 S169 K191	G132-D167 CarbonylContact C-O 3.57Å; G132-D167 VanDerWaalsContact CA-O 3.29Å; G132-D167 WeakPolarHBondContact CA-O 3.5Å; R133-D167 HydrophobicContact CG-CB 3.7Å; R133-D167 IonicContact CZ-OD2 3.39Å; R133-D167 PolarHBondContact N-O 3.4Å; R133-D167 IonicContact NE-OD2 2.69Å; R133-D167 PolarHBondContact NE-OD2 2.93Å; R133-D167 IonicContact NH2-OD2 3.04Å; R133-D167 PolarHBondContact NH2-OD2 2.75Å; R133-D167 PolarHBondContact O-N 2.99Å; W142-D167 HydrophobicContact CH2-CB 4.07Å; W142-D167 HydrophobicContact CZ3-CB 3.76Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 3.35Å; D167-S169 PolarHBondContact OD1-OG 3.16Å; D167-K191 HydrophobicContact CB-CB 4.12Å; D167-K191 WeakPolarHBondContact OD1-CB 3.42Å
168	L	96	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.			trans	-107.6	16.8	178.7	-74.6	168	0	0	0	111.1	V127 L130 I166 G170 T171 I173 L190 K191 M192 C195	V127-L168 HydrophobicContact CB-CD2 4.31Å; V127-L168 HydrophobicContact CG1-CD2 3.86Å; V127-L168 HydrophobicContact CG1-CG 4.47Å; V127-L168 HydrophobicContact CG2-CD2 4.13Å; L130-L168 HydrophobicContact CD1-CD2 4.1Å; I166-L168 HydrophobicContact CG2-CD1 3.86Å; I166-L168 HydrophobicContact CG2-CG 3.72Å; L168-G170 PolarHBondContact O-N 3.46Å; L168-T171 HydrophobicContact CD2-CG2 4.29Å; L168-T171 WeakPolarHBondContact O-CB 3.25Å; L168-T171 WeakPolarHBondContact O-CG2 3.44Å; L168-T171 PolarHBondContact O-N 2.89Å; L168-T171 VanDerWaalsContact O-N 3.08Å; L168-T171 PolarHBondContact O-OG1 3.19Å; L168-I173 HydrophobicContact CD1-CD1 4.2Å; L168-I173 HydrophobicContact CD1-CG1 4.38Å; L168-L190 HydrophobicContact CD1-CD1 4.44Å; L168-K191 PolarHBondContact N-O 2.8Å; L168-M192 HydrophobicContact CB-CG 4.05Å; L168-C195 PolarHBondContact O-SG 3.1Å
169	S	95	Very high	92.8	Very high	44 Å²	44	38 Å²	38	31%	0.308	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	131.8	-177.4	-56.9	0	0	0	0	112	D167 T171 K193	D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 3.35Å; D167-S169 PolarHBondContact OD1-OG 3.16Å; S169-T171 PolarHBondContact O-N 3.22Å; S169-K193 CarbonylContact C-O 3.56Å; S169-K193 WeakPolarHBondContact CA-O 3.45Å; S169-K193 WeakPolarHBondContact CB-O 3.45Å; S169-K193 PolarHBondContact OG-N 3.2Å
170	G	93.1	Very high	93.1	Very high	57 Å²	57	33.4 Å²	33.4	59%	0.588	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	4	-178.2	0	0	0	0	0	114.7	L168 K193	L168-G170 PolarHBondContact O-N 3.46Å; G170-K193 PolarHBondContact N-O 2.86Å
171	T	93	Very high	93.3	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	16%	0.158	C	C	.	.			trans	-83.5	156.9	176.6	70.2	0	0	0	0	111.4	L130 L168 S169 I173	L130-T171 HydrophobicContact CB-CG2 4.25Å; L168-T171 HydrophobicContact CD2-CG2 4.29Å; L168-T171 WeakPolarHBondContact O-CB 3.25Å; L168-T171 WeakPolarHBondContact O-CG2 3.44Å; L168-T171 PolarHBondContact O-N 2.89Å; L168-T171 VanDerWaalsContact O-N 3.08Å; L168-T171 PolarHBondContact O-OG1 3.19Å; S169-T171 PolarHBondContact O-N 3.22Å; T171-I173 PolarHBondContact O-N 2.76Å; T171-I173 VanDerWaalsContact O-N 3.17Å
172	N	91.9	Very high	93.4	Very high	52 Å²	52	29.1 Å²	29.1	28%	0.278	16%	0.163	S	C	.	.			trans	-88	59.2	173.5	-168.7	-24	0	0	0	110	N103 Q107 H197	N103-N172 PolarHBondContact ND2-O 3.5Å; N103-N172 PolarHBondContact ND2-OD1 3.02Å; N103-N172 PolarHBondContact OD1-O 3.4Å; Q107-N172 PolarHBondContact NE2-O 2.78Å; N172-H197 PolarHBondContact ND2-CD2 3.49Å; N172-H197 VanDerWaalsContact ND2-CD2 3.25Å; N172-H197 PolarHBondContact ND2-NE2 3.17Å; N172-H197 PolarHBondContact OD1-CD2 3.46Å; N172-H197 VanDerWaalsContact OD1-CG 3.26Å
173	I	93.9	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.			trans	-69.7	136.5	177.6	-168.6	71.9	0	0	0	110.4	M126 L130 L168 T171 L178 C195 H197 L198	M126-I173 HydrophobicContact SD-CD1 4.45Å; L130-I173 HydrophobicContact CD1-CD1 3.55Å; L168-I173 HydrophobicContact CD1-CD1 4.2Å; L168-I173 HydrophobicContact CD1-CG1 4.38Å; T171-I173 PolarHBondContact O-N 2.76Å; T171-I173 VanDerWaalsContact O-N 3.17Å; I173-L178 HydrophobicContact CD1-CD2 4.2Å; I173-L178 HydrophobicContact CD1-CG 4.47Å; I173-L178 HydrophobicContact CG1-CD2 3.83Å; I173-L178 HydrophobicContact CG1-CG 4Å; I173-C195 HydrophobicContact CG2-CB 4.06Å; I173-H197 WeakPolarHBondContact O-CB 3.47Å; I173-L198 HydrophobicContact CG2-CD1 4.1Å
174	V	91.9	Very high	93.3	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.152	18%	0.179	C	C	.	.			trans	-118.4	168.1	173.3	-63	0	0	0	0	110.3	Q107 E176 G177 H197	Q107-V174 PolarHBondContact OE1-O 3.14Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 HydrophobicContact CG2-CB 4.44Å; V174-E176 VanDerWaalsContact CG2-OE2 3.29Å; V174-E176 WeakPolarHBondContact CG2-OE2 3.31Å; V174-E176 PolarHBondContact O-N 3.36Å; V174-G177 PolarHBondContact O-N 3.25Å; V174-H197 HydrophobicContact CG1-CB 4.25Å
175	Y	91.6	Very high	93.1	Very high	93 Å²	93	34.7 Å²	34.7	37%	0.365	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-50	-44	-177.6	173	-101.8	0	0	0	113.2	G177 L178 F201 C202 R205	Y175-G177 VanDerWaalsContact C-N 3.3Å; Y175-G177 PolarHBondContact O-N 3.14Å; Y175-L178 PolarHBondContact O-N 3.34Å; Y175-L178 VanDerWaalsContact O-N 3.14Å; Y175-F201 HydrophobicContact CD2-CB 3.7Å; Y175-F201 WeakPolarHBondContact CD2-O 3.24Å; Y175-F201 HydrophobicContact CE2-CB 3.98Å; Y175-F201 WeakPolarHBondContact CE2-O 3.39Å; Y175-F201 HydrophobicContact CG-CB 4.49Å; Y175-C202 WeakPolarHBondContact CA-SG 3.44Å; Y175-C202 PolarHBondContact N-SG 3.01Å; Y175-C202 VanDerWaalsContact N-SG 3.41Å; Y175-R205 HydrophobicContact CD2-CG 4.2Å; Y175-R205 VanDerWaalsContact CE2-CD 3.44Å; Y175-R205 HydrophobicContact CE2-CG 3.61Å; Y175-R205 PolarHBondContact O-NH1 2.7Å; Y175-R205 PolarHBondContact OH-NE 2.85Å; Y175-R205 VanDerWaalsContact OH-NE 3.1Å; Y175-R205 PolarHBondContact OH-NH2 2.97Å
176	E	88.9	Confident	93	Very high	68 Å²	68	38.2 Å²	38.2	32%	0.318	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60.4	-36.3	-178.6	-64.3	90.3	154.5	0	0	112.7	R104 V174 L178 E179 R205	R104-E176 VanDerWaalsContact CD-OE1 3.24Å; R104-E176 WeakPolarHBondContact CD-OE1 3.17Å; R104-E176 HydrophobicContact CG-CB 4.45Å; R104-E176 HydrophobicContact CG-CG 4.24Å; V174-E176 VanDerWaalsContact C-N 3.25Å; V174-E176 HydrophobicContact CG2-CB 4.44Å; V174-E176 VanDerWaalsContact CG2-OE2 3.29Å; V174-E176 WeakPolarHBondContact CG2-OE2 3.31Å; V174-E176 PolarHBondContact O-N 3.36Å; E176-L178 PolarHBondContact O-N 3.07Å; E176-E179 WeakPolarHBondContact O-CB 3.34Å; E176-E179 PolarHBondContact O-N 3.41Å; E176-R205 PolarHBondContact O-NH1 2.82Å
177	G	90.5	Very high	92.9	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.031	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-69.4	-16.2	179	0	0	0	0	0	114.7	M126 V174 Y175	M126-G177 WeakPolarHBondContact CE-O 3.36Å; V174-G177 PolarHBondContact O-N 3.25Å; Y175-G177 VanDerWaalsContact C-N 3.3Å; Y175-G177 PolarHBondContact O-N 3.14Å
178	L	92.8	Very high	92.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-93.7	5.3	-179.3	-59.2	172.1	0	0	0	113	I173 Y175 E176 F180 L181 P182 L198 C202 R205 I206	I173-L178 HydrophobicContact CD1-CD2 4.2Å; I173-L178 HydrophobicContact CD1-CG 4.47Å; I173-L178 HydrophobicContact CG1-CD2 3.83Å; I173-L178 HydrophobicContact CG1-CG 4Å; Y175-L178 PolarHBondContact O-N 3.34Å; Y175-L178 VanDerWaalsContact O-N 3.14Å; E176-L178 PolarHBondContact O-N 3.07Å; L178-F180 VanDerWaalsContact C-N 3.35Å; L178-F180 PolarHBondContact O-N 3.34Å; L178-L181 HydrophobicContact CD2-CD1 3.34Å; L178-L181 HydrophobicContact CD2-CG 4.27Å; L178-P182 WeakPolarHBondContact O-CD 3.42Å; L178-L198 HydrophobicContact CD1-CD1 4.26Å; L178-C202 HydrophobicContact CD1-CB 3.42Å; L178-C202 VanDerWaalsContact CD1-CB 3.42Å; L178-R205 HydrophobicContact CB-CB 4.25Å; L178-I206 HydrophobicContact CD1-CD1 4.13Å; L178-I206 HydrophobicContact CD1-CG1 4.38Å
179	E	90.9	Very high	92.9	Very high	99 Å²	99	46.9 Å²	46.9	46%	0.463	25%	0.25	S	C	.	.	S	Bend	trans	-58.9	-44.9	-174.3	-164.6	139.3	162.6	0	0	113.5	E176 P182 R205	E176-E179 WeakPolarHBondContact O-CB 3.34Å; E176-E179 PolarHBondContact O-N 3.41Å; E179-P182 WeakPolarHBondContact O-CD 3.22Å; E179-R205 IonicContact OE2-CZ 3.15Å; E179-R205 IonicContact OE2-NH1 2.89Å; E179-R205 PolarHBondContact OE2-NH1 2.67Å; E179-R205 IonicContact OE2-NH2 3.41Å; E179-R205 PolarHBondContact OE2-NH2 3.08Å
180	F	92.5	Very high	93	Very high	38 Å²	38	44.8 Å²	44.8	17%	0.167	24%	0.235	C	C	.	.	S	Bend	trans	-92.9	-10.7	-171.5	-66.9	-74.8	0	0	0	113	I109 V114 L119 I123 L178 C183	I109-F180 HydrophobicContact CB-CD2 3.9Å; I109-F180 HydrophobicContact CB-CE2 3.71Å; I109-F180 HydrophobicContact CD1-CD2 3.98Å; I109-F180 HydrophobicContact CG1-CD2 4.34Å; I109-F180 HydrophobicContact CG2-CE2 4.35Å; V114-F180 HydrophobicContact CG2-CE1 4.33Å; V114-F180 HydrophobicContact CG2-CZ 4.44Å; L119-F180 HydrophobicContact CD1-CB 4Å; L119-F180 HydrophobicContact CD1-CD1 3.85Å; L119-F180 HydrophobicContact CD1-CG 4.25Å; I123-F180 HydrophobicContact CD1-CB 3.89Å; I123-F180 HydrophobicContact CG1-CB 4.12Å; L178-F180 VanDerWaalsContact C-N 3.35Å; L178-F180 PolarHBondContact O-N 3.34Å; F180-C183 WeakPolarHBondContact O-CB 3.44Å; F180-C183 PolarHBondContact O-N 3.42Å; F180-C183 VanDerWaalsContact O-N 3.1Å
181	L	93.3	Very high	93.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.7	-39.5	179.1	-64.7	-169.3	0	0	0	113.9	I123 I166 L178 C183 L184 L190 I209	I123-L181 HydrophobicContact CD1-CD2 4.43Å; I123-L181 HydrophobicContact CG2-CD2 3.72Å; I166-L181 HydrophobicContact CD1-CD2 3.7Å; L178-L181 HydrophobicContact CD2-CD1 3.34Å; L178-L181 HydrophobicContact CD2-CG 4.27Å; L181-C183 PolarHBondContact O-N 3.4Å; L181-L184 HydrophobicContact CD2-CD1 3.92Å; L181-L184 WeakPolarHBondContact O-CB 3.16Å; L181-L184 PolarHBondContact O-N 3.19Å; L181-L184 VanDerWaalsContact O-N 3.09Å; L181-L190 HydrophobicContact CD1-CD1 4.5Å; L181-L190 HydrophobicContact CD1-CD2 4.46Å; L181-I209 HydrophobicContact CB-CD1 4.16Å
182	P	92.9	Very high	93.3	Very high	30 Å²	30	45.1 Å²	45.1	20%	0.195	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20	175.1	-25.4	37.5	0	0	0	114.5	L178 E179 L184 R205 R208 I209	L178-P182 WeakPolarHBondContact O-CD 3.42Å; E179-P182 WeakPolarHBondContact O-CD 3.22Å; P182-L184 VanDerWaalsContact C-N 3.3Å; P182-R205 WeakPolarHBondContact CG-O 3.34Å; P182-R208 HydrophobicContact CB-CB 3.9Å; P182-R208 HydrophobicContact CG-CB 4.09Å; P182-I209 HydrophobicContact CB-CG1 4.38Å; P182-I209 HydrophobicContact CG-CG1 4.26Å
183	C	92.8	Very high	93.5	Very high	73 Å²	73	45.7 Å²	45.7	49%	0.493	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-80.9	-11.8	178	-58.9	0	0	0	0	112.3	L119 F180 L181 T185	L119-C183 HydrophobicContact CD1-CB 4.48Å; L119-C183 HydrophobicContact CD2-CB 3.5Å; L119-C183 VanDerWaalsContact CD2-CB 3.5Å; F180-C183 WeakPolarHBondContact O-CB 3.44Å; F180-C183 PolarHBondContact O-N 3.42Å; F180-C183 VanDerWaalsContact O-N 3.1Å; L181-C183 PolarHBondContact O-N 3.4Å; C183-T185 PolarHBondContact O-N 3.03Å
184	L	93.7	Very high	93.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	25%	0.245	C	C	.	.			trans	-72.2	120.7	175.2	-66.6	175.7	0	0	0	110.8	L119 D120 I123 I166 L181 P182 L187	L119-L184 HydrophobicContact CD2-CD2 4.34Å; L119-L184 HydrophobicContact CG-CD2 4.48Å; D120-L184 WeakPolarHBondContact OD1-CD2 3.34Å; I123-L184 HydrophobicContact CD1-CD1 3.88Å; I123-L184 HydrophobicContact CD1-CD2 3.57Å; I123-L184 HydrophobicContact CD1-CG 3.66Å; I123-L184 HydrophobicContact CG2-CD1 4.35Å; I166-L184 HydrophobicContact CD1-CD1 3.87Å; L181-L184 HydrophobicContact CD2-CD1 3.92Å; L181-L184 WeakPolarHBondContact O-CB 3.16Å; L181-L184 PolarHBondContact O-N 3.19Å; L181-L184 VanDerWaalsContact O-N 3.09Å; P182-L184 VanDerWaalsContact C-N 3.3Å; L184-L187 HydrophobicContact CB-CB 3.83Å; L184-L187 HydrophobicContact CD1-CB 4.13Å; L184-L187 HydrophobicContact CD1-CD1 4.26Å; L184-L187 HydrophobicContact CD1-CD2 4.08Å; L184-L187 HydrophobicContact CD1-CG 4.39Å
185	T	90.7	Very high	93.7	Very high	106 Å²	106	51.2 Å²	51.2	65%	0.65	24%	0.238	S	C	*	.	S	Bend	trans	-79	-30	-176.9	49.5	0	0	0	0	113.3	C183	C183-T185 PolarHBondContact O-N 3.03Å
186	H	94	Very high	93.7	Very high	85 Å²	85	50.9 Å²	50.9	39%	0.394	25%	0.245	S	C	.	.	S	Bend	trans	-112.2	6.7	-172.3	-63.4	-78.3	0	0	0	114.8	I137 V162 I163 R188	I137-H186 HydrophobicContact CD1-CB 3.59Å; I137-H186 HydrophobicContact CG1-CB 4.42Å; V162-H186 HydrophobicContact CG1-CB 3.7Å; V162-H186 VanDerWaalsContact CG1-CD2 3.46Å; V162-H186 WeakPolarHBondContact CG1-CD2 3.49Å; I163-H186 CarbonylContact O-C 3.55Å; H186-R188 PolarHBondContact O-N 3.4Å
187	L	96.1	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.			trans	-67.5	116.8	178	-173.6	72.2	0	0	0	110.6	I163 I166 L184 I209 G211 L212	I163-L187 HydrophobicContact CG2-CD1 4.16Å; I166-L187 HydrophobicContact CB-CD1 4.15Å; I166-L187 HydrophobicContact CD1-CD1 3.51Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.55Å; L184-L187 HydrophobicContact CB-CB 3.83Å; L184-L187 HydrophobicContact CD1-CB 4.13Å; L184-L187 HydrophobicContact CD1-CD1 4.26Å; L184-L187 HydrophobicContact CD1-CD2 4.08Å; L184-L187 HydrophobicContact CD1-CG 4.39Å; L187-I209 HydrophobicContact CD2-CD1 4.07Å; L187-I209 HydrophobicContact CD2-CG2 4.2Å; L187-G211 CarbonylContact O-C 3.57Å; L187-G211 VanDerWaalsContact O-C 3.26Å; L187-L212 HydrophobicContact CD2-CD1 4.3Å; L187-L212 HydrophobicContact CG-CD1 4.27Å
188	R	95.3	Very high	93.9	Very high	106 Å²	106	50.1 Å²	50.1	40%	0.4	24%	0.241	S	C	.	.			trans	-113.6	-32.8	-177.8	-70.4	177.1	-177.3	-158.8	0.6	113.3	E164 H186 Q213 F214	E164-R188 HydrophobicContact CG-CB 4.24Å; E164-R188 HydrophobicContact CG-CG 4.45Å; E164-R188 PolarHBondContact O-N 3.23Å; E164-R188 WeakPolarHBondContact OE1-CD 3.17Å; H186-R188 PolarHBondContact O-N 3.4Å; R188-Q213 HydrophobicContact CB-CG 4.47Å; R188-Q213 HydrophobicContact CG-CG 4.48Å; R188-Q213 PolarHBondContact O-N 3.38Å; R188-F214 PolarHBondContact O-N 2.97Å
189	Y	96.2	Very high	93.9	Very high	89 Å²	89	53.4 Å²	53.4	35%	0.349	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.3	-174.2	-55.9	-98.3	0	0	0	110.2	E164 T165 I166 F214	E164-Y189 HydrophobicContact CG-CD2 4.3Å; E164-Y189 HydrophobicContact CG-CE2 4.44Å; E164-Y189 PolarHBondContact O-N 2.93Å; T165-Y189 WeakPolarHBondContact CA-O 3.14Å; T165-Y189 HydrophobicContact CG2-CD2 3.62Å; T165-Y189 HydrophobicContact CG2-CE2 4.49Å; T165-Y189 HydrophobicContact CG2-CG 4Å; I166-Y189 PolarHBondContact N-O 3.17Å; Y189-F214 HydrophobicContact CD1-CB 3.38Å; Y189-F214 HydrophobicContact CD1-CD1 4.32Å; Y189-F214 AromaticContact CD1-CG 3.9Å; Y189-F214 HydrophobicContact CD1-CG 3.9Å; Y189-F214 HydrophobicContact CE1-CB 3.99Å; Y189-F214 HydrophobicContact CG-CB 4.16Å
190	L	97.1	Very high	94	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	118.9	177	-177.7	60.4	0	0	0	109.9	I166 L168 L181 M192 I206 I209 L212 F214 L215 D216	I166-L190 HydrophobicContact CB-CD1 3.87Å; I166-L190 HydrophobicContact CG2-CD1 3.83Å; I166-L190 WeakPolarHBondContact O-CA 3.21Å; L168-L190 HydrophobicContact CD1-CD1 4.44Å; L181-L190 HydrophobicContact CD1-CD1 4.5Å; L181-L190 HydrophobicContact CD1-CD2 4.46Å; L190-M192 HydrophobicContact CD1-CG 4.29Å; L190-M192 HydrophobicContact CD1-SD 4.4Å; L190-M192 HydrophobicContact CD2-CE 3.64Å; L190-M192 HydrophobicContact CD2-SD 4.08Å; L190-M192 HydrophobicContact CG-CE 3.86Å; L190-M192 HydrophobicContact CG-CG 4.26Å; L190-M192 HydrophobicContact CG-SD 4.19Å; L190-I206 HydrophobicContact CD2-CG1 4.1Å; L190-I206 HydrophobicContact CD2-CG2 4.15Å; L190-I209 HydrophobicContact CD2-CD1 4.21Å; L190-L212 HydrophobicContact CB-CD1 3.6Å; L190-L212 HydrophobicContact CB-CD2 4.34Å; L190-F214 PolarHBondContact N-O 2.92Å; L190-L215 HydrophobicContact CB-CD1 4.2Å; L190-L215 HydrophobicContact CD2-CD1 4.11Å; L190-L215 HydrophobicContact CG-CD1 4.18Å; L190-L215 WeakPolarHBondContact O-CA 3.45Å; L190-D216 PolarHBondContact O-N 3.42Å
191	K	96.7	Very high	94	Very high	72 Å²	72	55.8 Å²	55.8	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.9	176.3	-68.8	179.8	-178.4	-175.4	0	110.1	I166 D167 L168 F214 D216	I166-K191 PolarHBondContact O-N 2.72Å; D167-K191 HydrophobicContact CB-CB 4.12Å; D167-K191 WeakPolarHBondContact OD1-CB 3.42Å; L168-K191 PolarHBondContact N-O 2.8Å; K191-F214 HydrophobicContact CD-CE1 4.39Å; K191-F214 HydrophobicContact CG-CD1 4.37Å; K191-F214 HydrophobicContact CG-CE1 3.78Å; K191-D216 HydrophobicContact CB-CB 4.49Å; K191-D216 HydrophobicContact CG-CB 4.21Å
192	M	96.2	Very high	94.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.			trans	-138.7	48.8	178.8	-67.2	175.4	-62.7	0	0	109.8	L168 L190 C195 L198 I206 L215 D216 V217 C220	L168-M192 HydrophobicContact CB-CG 4.05Å; L190-M192 HydrophobicContact CD1-CG 4.29Å; L190-M192 HydrophobicContact CD1-SD 4.4Å; L190-M192 HydrophobicContact CD2-CE 3.64Å; L190-M192 HydrophobicContact CD2-SD 4.08Å; L190-M192 HydrophobicContact CG-CE 3.86Å; L190-M192 HydrophobicContact CG-CG 4.26Å; L190-M192 HydrophobicContact CG-SD 4.19Å; M192-C195 PolarHBondContact O-SG 2.92Å; M192-L198 HydrophobicContact CB-CD2 4.01Å; M192-L198 HydrophobicContact CE-CD2 4.2Å; M192-L198 HydrophobicContact SD-CD1 3.97Å; M192-L198 HydrophobicContact SD-CD2 4.22Å; M192-I206 HydrophobicContact CE-CD1 3.25Å; M192-I206 HydrophobicContact CE-CG1 4.19Å; M192-I206 HydrophobicContact SD-CD1 3.8Å; M192-L215 HydrophobicContact CE-CD1 3.52Å; M192-D216 CarbonylContact C-O 3.54Å; M192-D216 WeakPolarHBondContact CA-O 3.3Å; M192-D216 PolarHBondContact N-O 3.4Å; M192-V217 HydrophobicContact CE-CG1 3.95Å; M192-C220 PolarHBondContact O-SG 2.93Å
193	K	94.9	Very high	94.2	Very high	64 Å²	64	54.3 Å²	54.3	28%	0.278	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	140.1	177.4	172.8	168.9	179.9	159.3	0	110.3	S169 G170 C195 S218 E219	S169-K193 CarbonylContact C-O 3.56Å; S169-K193 WeakPolarHBondContact CA-O 3.45Å; S169-K193 WeakPolarHBondContact CB-O 3.45Å; S169-K193 PolarHBondContact OG-N 3.2Å; G170-K193 PolarHBondContact N-O 2.86Å; K193-C195 VanDerWaalsContact C-N 3.27Å; K193-C195 PolarHBondContact O-N 3.14Å; K193-S218 CarbonylContact C-O 3.56Å; K193-S218 WeakPolarHBondContact CA-O 3.36Å; K193-E219 WeakPolarHBondContact CE-OE1 3.29Å; K193-E219 IonicContact NZ-OE1 2.77Å; K193-E219 PolarHBondContact NZ-OE1 3.3Å
194	R	94.9	Very high	94.2	Very high	141 Å²	141	52.8 Å²	52.8	53%	0.532	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	30.3	177.2	-64.5	171.8	179.5	-177.6	-2.8	114.7	V196 S218 E219	R194-V196 PolarHBondContact O-N 3.42Å; R194-S218 PolarHBondContact N-O 3.41Å; R194-E219 WeakPolarHBondContact CA-O 3.34Å; R194-E219 HydrophobicContact CG-CB 3.74Å; R194-E219 WeakPolarHBondContact CG-OE2 3.21Å; R194-E219 IonicContact CZ-OE2 2.78Å; R194-E219 VanDerWaalsContact CZ-OE2 3.31Å; R194-E219 IonicContact NE-OE1 2.8Å; R194-E219 IonicContact NE-OE2 3.48Å; R194-E219 PolarHBondContact NE-OE2 3.38Å; R194-E219 IonicContact NH2-OE1 3.25Å; R194-E219 PolarHBondContact NH2-OE1 3.14Å; R194-E219 IonicContact NH2-OE2 3.47Å; R194-E219 PolarHBondContact NH2-OE2 3.18Å; R194-E219 VanDerWaalsContact NH2-OE2 3.08Å
195	C	94.9	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.253	C	S	.	.			trans	-81.6	108.6	174.4	-69	0	0	0	0	110.3	L168 I173 M192 K193 H197 L198	L168-C195 PolarHBondContact O-SG 3.1Å; I173-C195 HydrophobicContact CG2-CB 4.06Å; M192-C195 PolarHBondContact O-SG 2.92Å; K193-C195 VanDerWaalsContact C-N 3.27Å; K193-C195 PolarHBondContact O-N 3.14Å; C195-H197 VanDerWaalsContact C-N 3.33Å; C195-H197 PolarHBondContact O-N 3.39Å; C195-L198 HydrophobicContact CB-CB 3.72Å; C195-L198 HydrophobicContact CB-CD2 4.25Å
196	V	92.1	Very high	94.4	Very high	86 Å²	86	48.8 Å²	48.8	52%	0.521	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-25.9	-172	-178.3	0	0	0	0	113.5	R194 P221 T222	R194-V196 PolarHBondContact O-N 3.42Å; V196-P221 HydrophobicContact CG1-CG 4.37Å; V196-T222 WeakPolarHBondContact O-CG2 3.43Å
197	H	91.3	Very high	94.3	Very high	56 Å²	56	44.9 Å²	44.9	26%	0.259	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	18	-175.6	-67.5	-80.1	0	0	0	112.9	N172 I173 V174 C195 D199	N172-H197 PolarHBondContact ND2-CD2 3.49Å; N172-H197 VanDerWaalsContact ND2-CD2 3.25Å; N172-H197 PolarHBondContact ND2-NE2 3.17Å; N172-H197 PolarHBondContact OD1-CD2 3.46Å; N172-H197 VanDerWaalsContact OD1-CG 3.26Å; I173-H197 WeakPolarHBondContact O-CB 3.47Å; V174-H197 HydrophobicContact CG1-CB 4.25Å; C195-H197 VanDerWaalsContact C-N 3.33Å; C195-H197 PolarHBondContact O-N 3.39Å; H197-D199 PolarHBondContact O-N 2.85Å
198	L	93.7	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.236	C	C	.	.			trans	-83.3	93.5	-179.3	-171.4	69.7	0	0	0	110.3	I173 L178 M192 C195 C202 I206 V217 C220 T222 I223	I173-L198 HydrophobicContact CG2-CD1 4.1Å; L178-L198 HydrophobicContact CD1-CD1 4.26Å; M192-L198 HydrophobicContact CB-CD2 4.01Å; M192-L198 HydrophobicContact CE-CD2 4.2Å; M192-L198 HydrophobicContact SD-CD1 3.97Å; M192-L198 HydrophobicContact SD-CD2 4.22Å; C195-L198 HydrophobicContact CB-CB 3.72Å; C195-L198 HydrophobicContact CB-CD2 4.25Å; L198-C202 HydrophobicContact CD1-CB 3.48Å; L198-C202 VanDerWaalsContact CD1-CB 3.48Å; L198-C202 HydrophobicContact CG-CB 4.3Å; L198-I206 HydrophobicContact CD1-CD1 4.41Å; L198-V217 HydrophobicContact CD2-CG1 4.2Å; L198-C220 HydrophobicContact CD2-CB 4.44Å; L198-T222 VanDerWaalsContact C-OG1 3.23Å; L198-T222 PolarHBondContact O-OG1 3.41Å; L198-I223 HydrophobicContact CD2-CD1 3.82Å; L198-I223 HydrophobicContact CG-CD1 4.25Å; L198-I223 HydrophobicContact CG-CG1 4.46Å; L198-I223 WeakPolarHBondContact O-CG1 3.47Å
199	D	91.3	Very high	94.2	Very high	69 Å²	69	48 Å²	48	37%	0.369	22%	0.217	S	C	.	.			trans	-90.5	171.4	-176.4	-59.5	-22.3	0	0	0	113	H197 F201 C202 L203 T222	H197-D199 PolarHBondContact O-N 2.85Å; D199-F201 PolarHBondContact O-N 3.36Å; D199-C202 WeakPolarHBondContact O-CA 3.27Å; D199-C202 WeakPolarHBondContact O-CB 3.44Å; D199-C202 PolarHBondContact O-N 2.95Å; D199-L203 PolarHBondContact O-N 3.45Å; D199-T222 WeakPolarHBondContact OD1-CB 3.27Å; D199-T222 PolarHBondContact OD1-OG1 3.4Å
200	D	93.7	Very high	93.9	Very high	39 Å²	39	52.7 Å²	52.7	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-56.8	-33.7	177.2	-63.9	-28.2	0	0	0	113.2	C202 L203 S204 T224 G227	D200-C202 VanDerWaalsContact C-N 3.3Å; D200-C202 PolarHBondContact O-N 3.49Å; D200-L203 PolarHBondContact O-N 3.27Å; D200-S204 PolarHBondContact O-N 2.67Å; D200-T224 PolarHBondContact OD1-N 3.08Å; D200-T224 PolarHBondContact OD1-OG1 3.47Å; D200-T224 WeakPolarHBondContact OD2-CG2 3.43Å; D200-T224 PolarHBondContact OD2-OG1 3.05Å; D200-G227 VanDerWaalsContact OD1-CA 3.25Å; D200-G227 WeakPolarHBondContact OD1-CA 3.46Å; D200-G227 PolarHBondContact OD1-N 3.1Å
201	F	93.1	Very high	93.6	Very high	148 Å²	148	53.9 Å²	53.9	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-64.3	-35.9	174.6	-64	-73.2	0	0	0	112	Y175 D199 S204 R205	Y175-F201 HydrophobicContact CD2-CB 3.7Å; Y175-F201 WeakPolarHBondContact CD2-O 3.24Å; Y175-F201 HydrophobicContact CE2-CB 3.98Å; Y175-F201 WeakPolarHBondContact CE2-O 3.39Å; Y175-F201 HydrophobicContact CG-CB 4.49Å; D199-F201 PolarHBondContact O-N 3.36Å; F201-S204 PolarHBondContact O-N 2.9Å; F201-S204 PolarHBondContact O-OG 3.32Å; F201-R205 PolarHBondContact O-N 2.74Å
202	C	94	Very high	93.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-44.7	175	-62	0	0	0	0	110.6	Y175 L178 L198 D199 D200 S204 R205 I206	Y175-C202 WeakPolarHBondContact CA-SG 3.44Å; Y175-C202 PolarHBondContact N-SG 3.01Å; Y175-C202 VanDerWaalsContact N-SG 3.41Å; L178-C202 HydrophobicContact CD1-CB 3.42Å; L178-C202 VanDerWaalsContact CD1-CB 3.42Å; L198-C202 HydrophobicContact CD1-CB 3.48Å; L198-C202 VanDerWaalsContact CD1-CB 3.48Å; L198-C202 HydrophobicContact CG-CB 4.3Å; D199-C202 WeakPolarHBondContact O-CA 3.27Å; D199-C202 WeakPolarHBondContact O-CB 3.44Å; D199-C202 PolarHBondContact O-N 2.95Å; D200-C202 VanDerWaalsContact C-N 3.3Å; D200-C202 PolarHBondContact O-N 3.49Å; C202-S204 VanDerWaalsContact C-N 3.29Å; C202-S204 PolarHBondContact O-N 2.88Å; C202-R205 PolarHBondContact O-N 3.22Å; C202-R205 VanDerWaalsContact O-N 3.15Å; C202-I206 WeakPolarHBondContact O-CD1 3.19Å; C202-I206 WeakPolarHBondContact O-CG1 3.48Å; C202-I206 PolarHBondContact O-N 3.49Å; C202-I206 VanDerWaalsContact O-N 3.11Å
203	L	94.7	Very high	93.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-36.6	175.7	-66.8	-176.7	0	0	0	112.5	D199 D200 R205 I206 G207 V217 I223 L228 T230 L231	D199-L203 PolarHBondContact O-N 3.45Å; D200-L203 PolarHBondContact O-N 3.27Å; L203-R205 VanDerWaalsContact C-N 3.28Å; L203-R205 PolarHBondContact O-N 2.57Å; L203-I206 HydrophobicContact CD2-CD1 3.9Å; L203-I206 CarbonylContact O-C 3.59Å; L203-I206 WeakPolarHBondContact O-CB 3.46Å; L203-I206 PolarHBondContact O-N 3.12Å; L203-I206 VanDerWaalsContact O-N 3.1Å; L203-G207 PolarHBondContact O-N 3.15Å; L203-V217 HydrophobicContact CD2-CG1 3.94Å; L203-I223 HydrophobicContact CD1-CB 4.44Å; L203-I223 HydrophobicContact CD1-CD1 4.1Å; L203-I223 HydrophobicContact CD1-CG1 4.17Å; L203-I223 HydrophobicContact CD1-CG2 3.51Å; L203-I223 HydrophobicContact CD2-CD1 4.39Å; L203-I223 HydrophobicContact CG-CD1 4.5Å; L203-L228 HydrophobicContact CD1-CD2 4.42Å; L203-T230 PolarHBondContact O-OG1 2.92Å; L203-L231 HydrophobicContact CD2-CD2 4.38Å
204	S	93.9	Very high	93.6	Very high	40 Å²	40	50.7 Å²	50.7	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-34.9	175.6	80.4	0	0	0	0	113	D200 F201 C202 T230	D200-S204 PolarHBondContact O-N 2.67Å; F201-S204 PolarHBondContact O-N 2.9Å; F201-S204 PolarHBondContact O-OG 3.32Å; C202-S204 VanDerWaalsContact C-N 3.29Å; C202-S204 PolarHBondContact O-N 2.88Å; S204-T230 PolarHBondContact N-OG1 2.93Å
205	R	93.8	Very high	93.7	Very high	28 Å²	28	44 Å²	44	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-44.4	172.5	-78.2	-174	172.1	-168.2	-9.1	110.7	Y175 E176 L178 E179 P182 F201 C202 L203 G207 R208	Y175-R205 HydrophobicContact CD2-CG 4.2Å; Y175-R205 VanDerWaalsContact CE2-CD 3.44Å; Y175-R205 HydrophobicContact CE2-CG 3.61Å; Y175-R205 PolarHBondContact O-NH1 2.7Å; Y175-R205 PolarHBondContact OH-NE 2.85Å; Y175-R205 VanDerWaalsContact OH-NE 3.1Å; Y175-R205 PolarHBondContact OH-NH2 2.97Å; E176-R205 PolarHBondContact O-NH1 2.82Å; L178-R205 HydrophobicContact CB-CB 4.25Å; E179-R205 IonicContact OE2-CZ 3.15Å; E179-R205 IonicContact OE2-NH1 2.89Å; E179-R205 PolarHBondContact OE2-NH1 2.67Å; E179-R205 IonicContact OE2-NH2 3.41Å; E179-R205 PolarHBondContact OE2-NH2 3.08Å; P182-R205 WeakPolarHBondContact CG-O 3.34Å; F201-R205 PolarHBondContact O-N 2.74Å; C202-R205 PolarHBondContact O-N 3.22Å; C202-R205 VanDerWaalsContact O-N 3.15Å; L203-R205 VanDerWaalsContact C-N 3.28Å; L203-R205 PolarHBondContact O-N 2.57Å; R205-G207 PolarHBondContact O-N 3.01Å; R205-R208 WeakPolarHBondContact O-CB 3.16Å; R205-R208 PolarHBondContact O-N 2.79Å; R205-R208 VanDerWaalsContact O-N 3.08Å
206	I	94.7	Very high	93.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-40.3	177	-67	153	0	0	0	110.6	L178 L190 M192 L198 C202 L203 R208 I209 L212 L215 L231 L234	L178-I206 HydrophobicContact CD1-CD1 4.13Å; L178-I206 HydrophobicContact CD1-CG1 4.38Å; L190-I206 HydrophobicContact CD2-CG1 4.1Å; L190-I206 HydrophobicContact CD2-CG2 4.15Å; M192-I206 HydrophobicContact CE-CD1 3.25Å; M192-I206 HydrophobicContact CE-CG1 4.19Å; M192-I206 HydrophobicContact SD-CD1 3.8Å; L198-I206 HydrophobicContact CD1-CD1 4.41Å; C202-I206 WeakPolarHBondContact O-CD1 3.19Å; C202-I206 WeakPolarHBondContact O-CG1 3.48Å; C202-I206 PolarHBondContact O-N 3.49Å; C202-I206 VanDerWaalsContact O-N 3.11Å; L203-I206 HydrophobicContact CD2-CD1 3.9Å; L203-I206 CarbonylContact O-C 3.59Å; L203-I206 WeakPolarHBondContact O-CB 3.46Å; L203-I206 PolarHBondContact O-N 3.12Å; L203-I206 VanDerWaalsContact O-N 3.1Å; I206-R208 PolarHBondContact O-N 3.32Å; I206-I209 HydrophobicContact CB-CD1 4.36Å; I206-I209 HydrophobicContact CG2-CD1 4.15Å; I206-I209 WeakPolarHBondContact O-CB 3.43Å; I206-I209 VanDerWaalsContact O-CG1 3.28Å; I206-I209 WeakPolarHBondContact O-CG1 3.18Å; I206-I209 PolarHBondContact O-N 2.79Å; I206-L212 HydrophobicContact CG2-CD2 4.01Å; I206-L215 HydrophobicContact CG2-CD1 4.18Å; I206-L215 HydrophobicContact CG2-CD2 3.94Å; I206-L231 HydrophobicContact CG2-CD2 4.33Å; I206-L234 HydrophobicContact CG2-CD1 4.41Å; I206-L234 VanDerWaalsContact O-CD2 3.31Å; I206-L234 WeakPolarHBondContact O-CD2 3.44Å
207	G	92.5	Very high	93.9	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-19.4	176.6	0	0	0	0	0	115.2	L203 R205 Q233	L203-G207 PolarHBondContact O-N 3.15Å; R205-G207 PolarHBondContact O-N 3.01Å; G207-Q233 VanDerWaalsContact O-CB 3.24Å; G207-Q233 WeakPolarHBondContact O-CB 3.38Å
208	R	94	Very high	94	Very high	170 Å²	170	38.1 Å²	38.1	64%	0.642	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.3	178.7	-60.8	173.6	64.7	175.1	-1.3	113.7	P182 R205 I206 K210	P182-R208 HydrophobicContact CB-CB 3.9Å; P182-R208 HydrophobicContact CG-CB 4.09Å; R205-R208 WeakPolarHBondContact O-CB 3.16Å; R205-R208 PolarHBondContact O-N 2.79Å; R205-R208 VanDerWaalsContact O-N 3.08Å; I206-R208 PolarHBondContact O-N 3.32Å; R208-K210 PolarHBondContact O-N 2.87Å
209	I	94.6	Very high	93.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.195	C	C	.	.			trans	-76.3	103.5	-179.8	-57.1	164.9	0	0	0	109.3	L181 P182 L187 L190 I206 G211 L212 L234	L181-I209 HydrophobicContact CB-CD1 4.16Å; P182-I209 HydrophobicContact CB-CG1 4.38Å; P182-I209 HydrophobicContact CG-CG1 4.26Å; L187-I209 HydrophobicContact CD2-CD1 4.07Å; L187-I209 HydrophobicContact CD2-CG2 4.2Å; L190-I209 HydrophobicContact CD2-CD1 4.21Å; I206-I209 HydrophobicContact CB-CD1 4.36Å; I206-I209 HydrophobicContact CG2-CD1 4.15Å; I206-I209 WeakPolarHBondContact O-CB 3.43Å; I206-I209 VanDerWaalsContact O-CG1 3.28Å; I206-I209 WeakPolarHBondContact O-CG1 3.18Å; I206-I209 PolarHBondContact O-N 2.79Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 3.22Å; I209-L212 HydrophobicContact CB-CB 4.23Å; I209-L212 HydrophobicContact CG2-CB 3.85Å; I209-L212 HydrophobicContact CG2-CD1 4.48Å; I209-L234 HydrophobicContact CB-CD2 4.35Å; I209-L234 WeakPolarHBondContact O-CD2 3.29Å
210	K	90.2	Very high	94.1	Very high	188 Å²	188	37.9 Å²	37.9	82%	0.817	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.6	-172.4	-64.1	-179.5	-178.4	175.7	0	114.6	R208 A236	R208-K210 PolarHBondContact O-N 2.87Å; K210-A236 VanDerWaalsContact O-CB 3.27Å; K210-A236 WeakPolarHBondContact O-CB 3.47Å
211	G	91.1	Very high	94	Very high	24 Å²	24	38.2 Å²	38.2	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.9	-172.1	0	0	0	0	0	115.7	L187 I209 Q213	L187-G211 CarbonylContact O-C 3.57Å; L187-G211 VanDerWaalsContact O-C 3.26Å; I209-G211 VanDerWaalsContact C-N 3.33Å; I209-G211 PolarHBondContact O-N 3.22Å; G211-Q213 PolarHBondContact O-N 3.24Å
212	L	96.2	Very high	94	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.			trans	-71.4	124.2	-171.1	-162.6	71.6	0	0	0	111.3	L187 L190 I206 I209 L215 L234 A236 L237	L187-L212 HydrophobicContact CD2-CD1 4.3Å; L187-L212 HydrophobicContact CG-CD1 4.27Å; L190-L212 HydrophobicContact CB-CD1 3.6Å; L190-L212 HydrophobicContact CB-CD2 4.34Å; I206-L212 HydrophobicContact CG2-CD2 4.01Å; I209-L212 HydrophobicContact CB-CB 4.23Å; I209-L212 HydrophobicContact CG2-CB 3.85Å; I209-L212 HydrophobicContact CG2-CD1 4.48Å; L212-L215 HydrophobicContact CD2-CB 4.02Å; L212-L215 HydrophobicContact CD2-CD1 4.2Å; L212-L215 HydrophobicContact CD2-CD2 4.35Å; L212-L215 HydrophobicContact CD2-CG 4.42Å; L212-L234 HydrophobicContact CB-CD2 4.22Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CD2-CD2 4.46Å; L212-A236 CarbonylContact O-C 3.59Å; L212-L237 HydrophobicContact CD2-CD1 4.31Å; L212-L237 HydrophobicContact CG-CD1 4.32Å; L212-L237 VanDerWaalsContact O-CA 3.24Å; L212-L237 WeakPolarHBondContact O-CA 3.48Å; L212-L237 PolarHBondContact O-N 3.07Å; L212-L237 VanDerWaalsContact O-N 3.14Å
213	Q	94.8	Very high	94	Very high	47 Å²	47	33 Å²	33	22%	0.22	16%	0.162	C	C	.	.			trans	-107.8	-32.5	-178.5	-61.5	-178.3	23.3	0	0	112.3	R188 G211 R238 R239	R188-Q213 HydrophobicContact CB-CG 4.47Å; R188-Q213 HydrophobicContact CG-CG 4.48Å; R188-Q213 PolarHBondContact O-N 3.38Å; G211-Q213 PolarHBondContact O-N 3.24Å; Q213-R238 WeakPolarHBondContact O-CA 3.48Å; Q213-R238 PolarHBondContact O-N 3.08Å; Q213-R239 PolarHBondContact O-N 3.09Å
214	F	95.8	Very high	93.9	Very high	22 Å²	22	34 Å²	34	10%	0.096	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.1	-178.8	179.8	-82.8	0	0	0	109.9	R188 Y189 L190 K191 D216 R239 I241	R188-F214 PolarHBondContact O-N 2.97Å; Y189-F214 HydrophobicContact CD1-CB 3.38Å; Y189-F214 HydrophobicContact CD1-CD1 4.32Å; Y189-F214 AromaticContact CD1-CG 3.9Å; Y189-F214 HydrophobicContact CD1-CG 3.9Å; Y189-F214 HydrophobicContact CE1-CB 3.99Å; Y189-F214 HydrophobicContact CG-CB 4.16Å; L190-F214 PolarHBondContact N-O 2.92Å; K191-F214 HydrophobicContact CD-CE1 4.39Å; K191-F214 HydrophobicContact CG-CD1 4.37Å; K191-F214 HydrophobicContact CG-CE1 3.78Å; F214-D216 HydrophobicContact CE1-CB 3.77Å; F214-D216 HydrophobicContact CZ-CB 4.15Å; F214-R239 WeakPolarHBondContact CA-O 3.45Å; F214-R239 HydrophobicContact CD2-CB 3.86Å; F214-R239 HydrophobicContact CD2-CG 3.87Å; F214-R239 HydrophobicContact CE2-CB 4.39Å; F214-R239 HydrophobicContact CE2-CG 3.88Å; F214-I241 HydrophobicContact CE2-CD1 3.89Å; F214-I241 HydrophobicContact CE2-CG1 4.24Å; F214-I241 HydrophobicContact CZ-CD1 3.57Å; F214-I241 HydrophobicContact CZ-CG1 4.09Å
215	L	96.7	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.8	175.6	179.7	58.5	0	0	0	109.9	L190 M192 I206 L212 V217 L231 L234 L237 R239 L240 I241	L190-L215 HydrophobicContact CB-CD1 4.2Å; L190-L215 HydrophobicContact CD2-CD1 4.11Å; L190-L215 HydrophobicContact CG-CD1 4.18Å; L190-L215 WeakPolarHBondContact O-CA 3.45Å; M192-L215 HydrophobicContact CE-CD1 3.52Å; I206-L215 HydrophobicContact CG2-CD1 4.18Å; I206-L215 HydrophobicContact CG2-CD2 3.94Å; L212-L215 HydrophobicContact CD2-CB 4.02Å; L212-L215 HydrophobicContact CD2-CD1 4.2Å; L212-L215 HydrophobicContact CD2-CD2 4.35Å; L212-L215 HydrophobicContact CD2-CG 4.42Å; L215-V217 HydrophobicContact CD1-CG1 3.87Å; L215-V217 HydrophobicContact CD2-CG1 4.28Å; L215-V217 HydrophobicContact CG-CG1 3.93Å; L215-L231 HydrophobicContact CD2-CD1 3.88Å; L215-L231 HydrophobicContact CD2-CD2 3.56Å; L215-L231 HydrophobicContact CD2-CG 4.35Å; L215-L234 HydrophobicContact CD2-CD1 4.18Å; L215-L237 HydrophobicContact CB-CD1 3.78Å; L215-R239 PolarHBondContact N-O 3.44Å; L215-L240 HydrophobicContact CB-CD1 4Å; L215-L240 HydrophobicContact CD2-CD1 3.94Å; L215-L240 HydrophobicContact CG-CD1 3.91Å; L215-L240 CarbonylContact O-C 3.45Å; L215-L240 VanDerWaalsContact O-CA 3.31Å; L215-L240 WeakPolarHBondContact O-CA 3.49Å; L215-I241 PolarHBondContact O-N 3.38Å
216	D	95.7	Very high	93.7	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.3	171.1	-178.1	4.9	0	0	0	109.6	L190 K191 M192 F214 S218 I241	L190-D216 PolarHBondContact O-N 3.42Å; K191-D216 HydrophobicContact CB-CB 4.49Å; K191-D216 HydrophobicContact CG-CB 4.21Å; M192-D216 CarbonylContact C-O 3.54Å; M192-D216 WeakPolarHBondContact CA-O 3.3Å; M192-D216 PolarHBondContact N-O 3.4Å; F214-D216 HydrophobicContact CE1-CB 3.77Å; F214-D216 HydrophobicContact CZ-CB 4.15Å; D216-S218 WeakPolarHBondContact OD1-CB 3.32Å; D216-S218 PolarHBondContact OD1-N 2.74Å; D216-S218 PolarHBondContact OD1-OG 2.74Å; D216-I241 HydrophobicContact CB-CB 4.27Å
217	V	95.2	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.			trans	-123.6	27.1	178.8	-68.8	0	0	0	0	111.1	M192 L198 L203 L215 C220 I223 L228 L240 I241 V242 N245	M192-V217 HydrophobicContact CE-CG1 3.95Å; L198-V217 HydrophobicContact CD2-CG1 4.2Å; L203-V217 HydrophobicContact CD2-CG1 3.94Å; L215-V217 HydrophobicContact CD1-CG1 3.87Å; L215-V217 HydrophobicContact CD2-CG1 4.28Å; L215-V217 HydrophobicContact CG-CG1 3.93Å; V217-C220 PolarHBondContact O-SG 3.45Å; V217-C220 VanDerWaalsContact O-SG 3.42Å; V217-I223 HydrophobicContact CB-CD1 3.92Å; V217-I223 HydrophobicContact CG1-CD1 4.44Å; V217-L228 HydrophobicContact CG2-CD2 4.4Å; V217-L240 HydrophobicContact CG2-CD1 4.04Å; V217-I241 WeakPolarHBondContact CG2-O 3.46Å; V217-I241 PolarHBondContact N-O 3.48Å; V217-V242 HydrophobicContact CG2-CG1 3.63Å; V217-N245 PolarHBondContact O-ND2 3.45Å
218	S	93.6	Very high	93.6	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	148.3	-179.2	-58.6	0	0	0	0	112.8	K193 R194 D216 C220 I241 S243	K193-S218 CarbonylContact C-O 3.56Å; K193-S218 WeakPolarHBondContact CA-O 3.36Å; R194-S218 PolarHBondContact N-O 3.41Å; D216-S218 WeakPolarHBondContact OD1-CB 3.32Å; D216-S218 PolarHBondContact OD1-N 2.74Å; D216-S218 PolarHBondContact OD1-OG 2.74Å; S218-C220 PolarHBondContact O-N 3.2Å; S218-C220 VanDerWaalsContact O-N 3.15Å; S218-C220 PolarHBondContact O-SG 3.45Å; S218-I241 WeakPolarHBondContact OG-CG2 3.49Å; S218-S243 CarbonylContact C-O 3.55Å; S218-S243 VanDerWaalsContact CA-O 3.22Å; S218-S243 WeakPolarHBondContact CA-O 3.23Å; S218-S243 WeakPolarHBondContact CB-O 3.3Å; S218-S243 WeakPolarHBondContact CB-OG 3.5Å; S218-S243 PolarHBondContact OG-N 2.98Å; S218-S243 PolarHBondContact OG-OG 3.24Å
219	E	93.2	Very high	93.5	Very high	63 Å²	63	34.3 Å²	34.3	29%	0.294	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	30.5	173.4	-58.2	177.7	-136.8	0	0	113.1	K193 R194 S243 G244	K193-E219 WeakPolarHBondContact CE-OE1 3.29Å; K193-E219 IonicContact NZ-OE1 2.77Å; K193-E219 PolarHBondContact NZ-OE1 3.3Å; R194-E219 WeakPolarHBondContact CA-O 3.34Å; R194-E219 HydrophobicContact CG-CB 3.74Å; R194-E219 WeakPolarHBondContact CG-OE2 3.21Å; R194-E219 IonicContact CZ-OE2 2.78Å; R194-E219 VanDerWaalsContact CZ-OE2 3.31Å; R194-E219 IonicContact NE-OE1 2.8Å; R194-E219 IonicContact NE-OE2 3.48Å; R194-E219 PolarHBondContact NE-OE2 3.38Å; R194-E219 IonicContact NH2-OE1 3.25Å; R194-E219 PolarHBondContact NH2-OE1 3.14Å; R194-E219 IonicContact NH2-OE2 3.47Å; R194-E219 PolarHBondContact NH2-OE2 3.18Å; R194-E219 VanDerWaalsContact NH2-OE2 3.08Å; E219-S243 PolarHBondContact N-O 3.45Å; E219-G244 WeakPolarHBondContact CA-O 3.46Å
220	C	94.2	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.			trans	-94.9	114.9	175.2	-64.7	0	0	0	0	109.5	M192 L198 V217 S218 I223 N245	M192-C220 PolarHBondContact O-SG 2.93Å; L198-C220 HydrophobicContact CD2-CB 4.44Å; V217-C220 PolarHBondContact O-SG 3.45Å; V217-C220 VanDerWaalsContact O-SG 3.42Å; S218-C220 PolarHBondContact O-N 3.2Å; S218-C220 VanDerWaalsContact O-N 3.15Å; S218-C220 PolarHBondContact O-SG 3.45Å; C220-I223 HydrophobicContact CB-CD1 3.36Å; C220-I223 HydrophobicContact CB-CG1 3.82Å; C220-N245 PolarHBondContact N-ND2 2.87Å; C220-N245 VanDerWaalsContact N-ND2 3.15Å; C220-N245 PolarHBondContact O-ND2 3.07Å
221	P	91.7	Very high	93.5	Very high	46 Å²	46	26.9 Å²	26.9	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	-77.1	-26	-168.9	28.8	-34.3	0	0	0	114.5	V196 P246 Q247	V196-P221 HydrophobicContact CG1-CG 4.37Å; P221-P246 HydrophobicContact CB-CG 4.24Å; P221-Q247 VanDerWaalsContact O-CB 3.23Å; P221-Q247 WeakPolarHBondContact O-CB 3.22Å; P221-Q247 PolarHBondContact O-OE1 3.43Å
222	T	92.9	Very high	93.5	Very high	40 Å²	40	27.2 Å²	27.2	25%	0.245	15%	0.154	C	C	.	.	S	Bend	trans	-95.7	-6.9	-171.8	56	0	0	0	0	114.7	V196 L198 D199	V196-T222 WeakPolarHBondContact O-CG2 3.43Å; L198-T222 VanDerWaalsContact C-OG1 3.23Å; L198-T222 PolarHBondContact O-OG1 3.41Å; D199-T222 WeakPolarHBondContact OD1-CB 3.27Å; D199-T222 PolarHBondContact OD1-OG1 3.4Å
223	I	94.3	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.			trans	-72.3	134.2	178.3	-61.5	177.4	0	0	0	110.2	L198 L203 V217 C220 L228 Q247 I248	L198-I223 HydrophobicContact CD2-CD1 3.82Å; L198-I223 HydrophobicContact CG-CD1 4.25Å; L198-I223 HydrophobicContact CG-CG1 4.46Å; L198-I223 WeakPolarHBondContact O-CG1 3.47Å; L203-I223 HydrophobicContact CD1-CB 4.44Å; L203-I223 HydrophobicContact CD1-CD1 4.1Å; L203-I223 HydrophobicContact CD1-CG1 4.17Å; L203-I223 HydrophobicContact CD1-CG2 3.51Å; L203-I223 HydrophobicContact CD2-CD1 4.39Å; L203-I223 HydrophobicContact CG-CD1 4.5Å; V217-I223 HydrophobicContact CB-CD1 3.92Å; V217-I223 HydrophobicContact CG1-CD1 4.44Å; C220-I223 HydrophobicContact CB-CD1 3.36Å; C220-I223 HydrophobicContact CB-CG1 3.82Å; I223-L228 HydrophobicContact CG2-CD2 4.38Å; I223-L228 HydrophobicContact CG2-CG 4.27Å; I223-Q247 CarbonylContact O-C 3.12Å; I223-I248 HydrophobicContact CG2-CD1 3.95Å; I223-I248 HydrophobicContact CG2-CG1 4.28Å; I223-I248 VanDerWaalsContact O-CG1 3.31Å; I223-I248 WeakPolarHBondContact O-CG1 3.38Å
224	T	93.5	Very high	93.2	Very high	21 Å²	21	30.7 Å²	30.7	13%	0.129	17%	0.17	C	C	.	.			trans	-110.5	174.2	171.9	78	0	0	0	0	112.6	D200 K226 G227 L228 Q247	D200-T224 PolarHBondContact OD1-N 3.08Å; D200-T224 PolarHBondContact OD1-OG1 3.47Å; D200-T224 WeakPolarHBondContact OD2-CG2 3.43Å; D200-T224 PolarHBondContact OD2-OG1 3.05Å; T224-K226 PolarHBondContact O-N 3.17Å; T224-K226 PolarHBondContact OG1-N 2.9Å; T224-G227 PolarHBondContact O-N 3.39Å; T224-L228 PolarHBondContact O-N 2.69Å; T224-L228 VanDerWaalsContact O-N 3.17Å; T224-Q247 HydrophobicContact CG2-CG 4.08Å
225	S	90.8	Very high	92.9	Very high	27 Å²	27	38.8 Å²	38.8	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-54.7	-32.7	170.4	50.1	0	0	0	0	113.4	L228 A229 E249	S225-L228 PolarHBondContact O-N 3.36Å; S225-A229 PolarHBondContact O-N 2.78Å; S225-A229 VanDerWaalsContact O-N 3.11Å; S225-E249 WeakPolarHBondContact CB-O 3.33Å
226	K	91.4	Very high	92.7	Very high	165 Å²	165	40.5 Å²	40.5	72%	0.717	22%	0.219	S	C	*	.	H	α-helix	trans	-68.3	-42.4	177.6	-64.1	179.9	-178.6	175.4	0	111.5	T224 A229	T224-K226 PolarHBondContact O-N 3.17Å; T224-K226 PolarHBondContact OG1-N 2.9Å; K226-A229 PolarHBondContact O-N 3.48Å
227	G	91.9	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-44.7	175.8	0	0	0	0	0	111.7	D200 T224 A229 T230	D200-G227 VanDerWaalsContact OD1-CA 3.25Å; D200-G227 WeakPolarHBondContact OD1-CA 3.46Å; D200-G227 PolarHBondContact OD1-N 3.1Å; T224-G227 PolarHBondContact O-N 3.39Å; G227-A229 VanDerWaalsContact C-N 3.33Å; G227-A229 PolarHBondContact O-N 3.47Å; G227-T230 WeakPolarHBondContact O-CB 3.14Å; G227-T230 PolarHBondContact O-N 3.39Å; G227-T230 VanDerWaalsContact O-N 3.15Å; G227-T230 PolarHBondContact O-OG1 3.3Å
228	L	93.1	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-40.4	175.9	-77.5	-169.8	0	0	0	112.9	L203 V217 I223 T224 S225 T230 L231 V242 I248 V254 L258	L203-L228 HydrophobicContact CD1-CD2 4.42Å; V217-L228 HydrophobicContact CG2-CD2 4.4Å; I223-L228 HydrophobicContact CG2-CD2 4.38Å; I223-L228 HydrophobicContact CG2-CG 4.27Å; T224-L228 PolarHBondContact O-N 2.69Å; T224-L228 VanDerWaalsContact O-N 3.17Å; S225-L228 PolarHBondContact O-N 3.36Å; L228-T230 PolarHBondContact O-N 3.15Å; L228-T230 VanDerWaalsContact O-N 3.14Å; L228-L231 HydrophobicContact CD2-CD1 3.75Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 WeakPolarHBondContact O-CG 3.14Å; L228-L231 PolarHBondContact O-N 3.47Å; L228-V242 HydrophobicContact CD1-CG1 4.3Å; L228-V242 HydrophobicContact CD2-CG1 3.81Å; L228-I248 HydrophobicContact CD1-CD1 3.58Å; L228-I248 HydrophobicContact CD1-CG2 3.94Å; L228-I248 HydrophobicContact CG-CD1 3.98Å; L228-V254 HydrophobicContact CB-CG1 3.79Å; L228-V254 HydrophobicContact CD1-CG1 4.29Å; L228-L258 HydrophobicContact CB-CD1 4.35Å
229	A	91.8	Very high	92.6	Very high	56 Å²	56	51.8 Å²	51.8	46%	0.463	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-27.6	178.1	0	0	0	0	0	113	S225 K226 G227 L231 A232	S225-A229 PolarHBondContact O-N 2.78Å; S225-A229 VanDerWaalsContact O-N 3.11Å; K226-A229 PolarHBondContact O-N 3.48Å; G227-A229 VanDerWaalsContact C-N 3.33Å; G227-A229 PolarHBondContact O-N 3.47Å; A229-L231 PolarHBondContact O-N 3.27Å; A229-A232 WeakPolarHBondContact O-CB 2.91Å; A229-A232 PolarHBondContact O-N 2.86Å
230	T	92.5	Very high	92.7	Very high	33 Å²	33	48.8 Å²	48.8	20%	0.202	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-65.8	-20.5	175.9	71.1	0	0	0	0	113.3	L203 S204 G227 L228 A232 Q233	L203-T230 PolarHBondContact O-OG1 2.92Å; S204-T230 PolarHBondContact N-OG1 2.93Å; G227-T230 WeakPolarHBondContact O-CB 3.14Å; G227-T230 PolarHBondContact O-N 3.39Å; G227-T230 VanDerWaalsContact O-N 3.15Å; G227-T230 PolarHBondContact O-OG1 3.3Å; L228-T230 PolarHBondContact O-N 3.15Å; L228-T230 VanDerWaalsContact O-N 3.14Å; T230-A232 PolarHBondContact O-N 3.23Å; T230-Q233 PolarHBondContact O-N 3.19Å
231	L	93.1	Very high	92.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69.2	-14.2	177.2	-57.3	178.5	0	0	0	113	L203 I206 L215 L228 A229 Q233 L234 L240 L258	L203-L231 HydrophobicContact CD2-CD2 4.38Å; I206-L231 HydrophobicContact CG2-CD2 4.33Å; L215-L231 HydrophobicContact CD2-CD1 3.88Å; L215-L231 HydrophobicContact CD2-CD2 3.56Å; L215-L231 HydrophobicContact CD2-CG 4.35Å; L228-L231 HydrophobicContact CD2-CD1 3.75Å; L228-L231 WeakPolarHBondContact O-CB 3.47Å; L228-L231 WeakPolarHBondContact O-CG 3.14Å; L228-L231 PolarHBondContact O-N 3.47Å; A229-L231 PolarHBondContact O-N 3.27Å; L231-Q233 PolarHBondContact O-N 3.45Å; L231-L234 HydrophobicContact CB-CD1 4.24Å; L231-L234 HydrophobicContact CD2-CD1 3.73Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.36Å; L231-L234 PolarHBondContact O-N 3.48Å; L231-L240 HydrophobicContact CD1-CD1 3.91Å; L231-L240 HydrophobicContact CD1-CD2 3.96Å; L231-L258 HydrophobicContact CB-CD2 4.37Å
232	A	91.3	Very high	92.7	Very high	31 Å²	31	47.7 Å²	47.7	26%	0.256	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-57.8	-20.2	172.3	0	0	0	0	0	113	A229 T230 L234 L258 H261	A229-A232 WeakPolarHBondContact O-CB 2.91Å; A229-A232 PolarHBondContact O-N 2.86Å; T230-A232 PolarHBondContact O-N 3.23Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.2Å; A232-L258 HydrophobicContact CB-CD2 3.98Å; A232-H261 HydrophobicContact CB-CB 4.36Å
233	Q	91.8	Very high	92.5	Very high	120 Å²	120	47.7 Å²	47.7	56%	0.561	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-72	-18.1	175.5	-63	-178.6	7.5	0	0	113.2	G207 T230 L231 K235	G207-Q233 VanDerWaalsContact O-CB 3.24Å; G207-Q233 WeakPolarHBondContact O-CB 3.38Å; T230-Q233 PolarHBondContact O-N 3.19Å; L231-Q233 PolarHBondContact O-N 3.45Å; Q233-K235 PolarHBondContact O-N 2.74Å
234	L	93.2	Very high	92.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.266	C	S	.	.			trans	-81.1	76.5	-178.4	-63.3	171.7	0	0	0	111.9	I206 I209 L212 L215 L231 A232 A236 L237	I206-L234 HydrophobicContact CG2-CD1 4.41Å; I206-L234 VanDerWaalsContact O-CD2 3.31Å; I206-L234 WeakPolarHBondContact O-CD2 3.44Å; I209-L234 HydrophobicContact CB-CD2 4.35Å; I209-L234 WeakPolarHBondContact O-CD2 3.29Å; L212-L234 HydrophobicContact CB-CD2 4.22Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CD2-CD2 4.46Å; L215-L234 HydrophobicContact CD2-CD1 4.18Å; L231-L234 HydrophobicContact CB-CD1 4.24Å; L231-L234 HydrophobicContact CD2-CD1 3.73Å; L231-L234 VanDerWaalsContact O-CB 3.29Å; L231-L234 WeakPolarHBondContact O-CB 3.36Å; L231-L234 PolarHBondContact O-N 3.48Å; A232-L234 VanDerWaalsContact C-N 3.25Å; A232-L234 PolarHBondContact O-N 3.2Å; L234-A236 PolarHBondContact O-N 3.3Å; L234-A236 VanDerWaalsContact O-N 3.07Å; L234-L237 HydrophobicContact CB-CB 3.81Å; L234-L237 HydrophobicContact CB-CD2 4.36Å; L234-L237 HydrophobicContact CD1-CD1 4.3Å; L234-L237 HydrophobicContact CD1-CD2 4.01Å; L234-L237 VanDerWaalsContact O-CB 3.31Å; L234-L237 WeakPolarHBondContact O-CB 3.24Å; L234-L237 PolarHBondContact O-N 2.94Å
235	K	89.8	Confident	92	Very high	191 Å²	191	49.9 Å²	49.9	83%	0.83	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.8	-177.8	-61.5	-174.5	179.6	-175.5	0	115	Q233	Q233-K235 PolarHBondContact O-N 2.74Å
236	A	92.5	Very high	91.8	Very high	36 Å²	36	53.5 Å²	53.5	30%	0.298	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2	-179.8	0	0	0	0	0	113.8	K210 L212 L234 R238	K210-A236 VanDerWaalsContact O-CB 3.27Å; K210-A236 WeakPolarHBondContact O-CB 3.47Å; L212-A236 CarbonylContact O-C 3.59Å; L234-A236 PolarHBondContact O-N 3.3Å; L234-A236 VanDerWaalsContact O-N 3.07Å; A236-R238 PolarHBondContact O-N 3.25Å
237	L	94.8	Very high	91.7	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.273	C	S	.	.			trans	-69	129.9	-175.6	-163	69.5	0	0	0	110.6	L212 L215 L234 L240 L265	L212-L237 HydrophobicContact CD2-CD1 4.31Å; L212-L237 HydrophobicContact CG-CD1 4.32Å; L212-L237 VanDerWaalsContact O-CA 3.24Å; L212-L237 WeakPolarHBondContact O-CA 3.48Å; L212-L237 PolarHBondContact O-N 3.07Å; L212-L237 VanDerWaalsContact O-N 3.14Å; L215-L237 HydrophobicContact CB-CD1 3.78Å; L234-L237 HydrophobicContact CB-CB 3.81Å; L234-L237 HydrophobicContact CB-CD2 4.36Å; L234-L237 HydrophobicContact CD1-CD1 4.3Å; L234-L237 HydrophobicContact CD1-CD2 4.01Å; L234-L237 VanDerWaalsContact O-CB 3.31Å; L234-L237 WeakPolarHBondContact O-CB 3.24Å; L234-L237 PolarHBondContact O-N 2.94Å; L237-L240 HydrophobicContact CD2-CB 4.18Å; L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD2-CD1 3.65Å; L237-L265 HydrophobicContact CG-CD1 3.66Å
238	R	92.6	Very high	91.5	Very high	149 Å²	149	51 Å²	51	56%	0.562	28%	0.277	S	S	*	.			trans	-115.5	-33.2	-178.6	-65.9	179.6	176.8	-113.2	4.8	112.3	Q213 A236 Y266	Q213-R238 WeakPolarHBondContact O-CA 3.48Å; Q213-R238 PolarHBondContact O-N 3.08Å; A236-R238 PolarHBondContact O-N 3.25Å; R238-Y266 PolarHBondContact O-N 3.22Å
239	R	94.5	Very high	91.2	Very high	104 Å²	104	57.9 Å²	57.9	39%	0.392	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.2	-179.7	-177	164.7	-178.9	-172.6	4.4	110.8	Q213 F214 L215 I241 Y266 D268	Q213-R239 PolarHBondContact O-N 3.09Å; F214-R239 WeakPolarHBondContact CA-O 3.45Å; F214-R239 HydrophobicContact CD2-CB 3.86Å; F214-R239 HydrophobicContact CD2-CG 3.87Å; F214-R239 HydrophobicContact CE2-CB 4.39Å; F214-R239 HydrophobicContact CE2-CG 3.88Å; L215-R239 PolarHBondContact N-O 3.44Å; R239-I241 HydrophobicContact CG-CG1 4.49Å; R239-Y266 VanDerWaalsContact CA-O 3.32Å; R239-Y266 WeakPolarHBondContact CA-O 3.3Å; R239-Y266 HydrophobicContact CG-CD1 4.24Å; R239-D268 IonicContact CZ-OD2 2.83Å; R239-D268 IonicContact NE-OD2 3.87Å; R239-D268 IonicContact NH2-OD2 4Å; R239-D268 PolarHBondContact NH2-OD2 2.9Å
240	L	95.2	Very high	90.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	176.2	174.7	62.9	0	0	0	108.8	L215 V217 L231 L237 V242 L258 L265 Y266 I267 D268	L215-L240 HydrophobicContact CB-CD1 4Å; L215-L240 HydrophobicContact CD2-CD1 3.94Å; L215-L240 HydrophobicContact CG-CD1 3.91Å; L215-L240 CarbonylContact O-C 3.45Å; L215-L240 VanDerWaalsContact O-CA 3.31Å; L215-L240 WeakPolarHBondContact O-CA 3.49Å; V217-L240 HydrophobicContact CG2-CD1 4.04Å; L231-L240 HydrophobicContact CD1-CD1 3.91Å; L231-L240 HydrophobicContact CD1-CD2 3.96Å; L237-L240 HydrophobicContact CD2-CB 4.18Å; L240-V242 HydrophobicContact CD1-CG1 3.99Å; L240-V242 HydrophobicContact CD2-CG1 3.95Å; L240-V242 HydrophobicContact CG-CG1 3.76Å; L240-L258 HydrophobicContact CD2-CD1 4.19Å; L240-L265 HydrophobicContact CB-CD1 3.89Å; L240-Y266 PolarHBondContact N-O 3.33Å; L240-I267 HydrophobicContact CB-CG1 4.41Å; L240-I267 HydrophobicContact CD2-CD1 4.42Å; L240-I267 HydrophobicContact CD2-CG1 4.44Å; L240-I267 CarbonylContact O-C 3.11Å; L240-I267 WeakPolarHBondContact O-CA 3.49Å; L240-D268 PolarHBondContact O-N 2.93Å
241	I	93.7	Very high	90.4	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.118	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.8	174.1	-46	-172.7	0	0	0	108.7	F214 L215 D216 V217 S218 R239 D268	F214-I241 HydrophobicContact CE2-CD1 3.89Å; F214-I241 HydrophobicContact CE2-CG1 4.24Å; F214-I241 HydrophobicContact CZ-CD1 3.57Å; F214-I241 HydrophobicContact CZ-CG1 4.09Å; L215-I241 PolarHBondContact O-N 3.38Å; D216-I241 HydrophobicContact CB-CB 4.27Å; V217-I241 WeakPolarHBondContact CG2-O 3.46Å; V217-I241 PolarHBondContact N-O 3.48Å; S218-I241 WeakPolarHBondContact OG-CG2 3.49Å; R239-I241 HydrophobicContact CG-CG1 4.49Å; I241-D268 HydrophobicContact CB-CB 4.38Å; I241-D268 HydrophobicContact CG1-CB 4.06Å; I241-D268 HydrophobicContact CG2-CB 4.18Å
242	V	91.3	Very high	90.1	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.			trans	-127.9	37.7	-174.4	-73.9	0	0	0	0	111.5	V217 L228 L240 N245 K251 I267 D268 V270	V217-V242 HydrophobicContact CG2-CG1 3.63Å; L228-V242 HydrophobicContact CD1-CG1 4.3Å; L228-V242 HydrophobicContact CD2-CG1 3.81Å; L240-V242 HydrophobicContact CD1-CG1 3.99Å; L240-V242 HydrophobicContact CD2-CG1 3.95Å; L240-V242 HydrophobicContact CG-CG1 3.76Å; V242-N245 PolarHBondContact O-OD1 3.22Å; V242-K251 WeakPolarHBondContact O-CE 3.41Å; V242-K251 PolarHBondContact O-NZ 2.85Å; V242-I267 HydrophobicContact CG2-CG2 3.54Å; V242-D268 PolarHBondContact N-O 2.88Å; V242-V270 HydrophobicContact CG2-CG2 3.73Å
243	S	89.4	Confident	89.8	Confident	39 Å²	39	57.7 Å²	57.7	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	140.8	-176.4	67.5	0	0	0	0	112.4	S218 E219 N245	S218-S243 CarbonylContact C-O 3.55Å; S218-S243 VanDerWaalsContact CA-O 3.22Å; S218-S243 WeakPolarHBondContact CA-O 3.23Å; S218-S243 WeakPolarHBondContact CB-O 3.3Å; S218-S243 WeakPolarHBondContact CB-OG 3.5Å; S218-S243 PolarHBondContact OG-N 2.98Å; S218-S243 PolarHBondContact OG-OG 3.24Å; E219-S243 PolarHBondContact N-O 3.45Å; S243-N245 PolarHBondContact O-N 2.94Å; S243-N245 PolarHBondContact O-OD1 2.77Å
244	G	87.1	Confident	89.6	Confident	54 Å²	54	52.6 Å²	52.6	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	28.3	168.4	0	0	0	0	0	116.9	E219 P246	E219-G244 WeakPolarHBondContact CA-O 3.46Å; G244-P246 WeakPolarHBondContact O-CD 3.47Å
245	N	89.9	Confident	89.4	Confident	14 Å²	14	52.6 Å²	52.6	8%	0.075	27%	0.269	C	S	.	.			trans	-91.8	111.8	175	-58.1	91.8	0	0	0	111.2	V217 C220 V242 S243 I248	V217-N245 PolarHBondContact O-ND2 3.45Å; C220-N245 PolarHBondContact N-ND2 2.87Å; C220-N245 VanDerWaalsContact N-ND2 3.15Å; C220-N245 PolarHBondContact O-ND2 3.07Å; V242-N245 PolarHBondContact O-OD1 3.22Å; S243-N245 PolarHBondContact O-N 2.94Å; S243-N245 PolarHBondContact O-OD1 2.77Å; N245-I248 HydrophobicContact CB-CB 4.44Å; N245-I248 HydrophobicContact CB-CD1 3.29Å; N245-I248 HydrophobicContact CB-CG1 3.62Å
246	P	86.3	Confident	89.3	Confident	102 Å²	102	46.9 Å²	46.9	66%	0.662	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-26.5	-172.5	29.6	-36.7	0	0	0	115	P221 G244	P221-P246 HydrophobicContact CB-CG 4.24Å; G244-P246 WeakPolarHBondContact O-CD 3.47Å
247	Q	89.7	Confident	89.1	Confident	97 Å²	97	48.1 Å²	48.1	45%	0.453	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	1.9	-173.9	-161.4	-173.8	-43.3	0	0	113	P221 I223 T224 E249	P221-Q247 VanDerWaalsContact O-CB 3.23Å; P221-Q247 WeakPolarHBondContact O-CB 3.22Å; P221-Q247 PolarHBondContact O-OE1 3.43Å; I223-Q247 CarbonylContact O-C 3.12Å; T224-Q247 HydrophobicContact CG2-CG 4.08Å; Q247-E249 PolarHBondContact O-N 3.05Å
248	I	88.6	Confident	88.9	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.082	25%	0.249	C	C	.	.			trans	-84.3	100.4	178.3	-55.5	-174.5	0	0	0	108.7	I223 L228 N245 K251	I223-I248 HydrophobicContact CG2-CD1 3.95Å; I223-I248 HydrophobicContact CG2-CG1 4.28Å; I223-I248 VanDerWaalsContact O-CG1 3.31Å; I223-I248 WeakPolarHBondContact O-CG1 3.38Å; L228-I248 HydrophobicContact CD1-CD1 3.58Å; L228-I248 HydrophobicContact CD1-CG2 3.94Å; L228-I248 HydrophobicContact CG-CD1 3.98Å; N245-I248 HydrophobicContact CB-CB 4.44Å; N245-I248 HydrophobicContact CB-CD1 3.29Å; N245-I248 HydrophobicContact CB-CG1 3.62Å; I248-K251 HydrophobicContact CB-CB 4.46Å; I248-K251 HydrophobicContact CG2-CB 3.78Å; I248-K251 HydrophobicContact CG2-CG 4.11Å
249	E	85.6	Confident	88.7	Confident	144 Å²	144	43.8 Å²	43.8	67%	0.673	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	141.7	169.4	-63.1	177.5	178.4	0	0	110.6	S225 Q247 K251	S225-E249 WeakPolarHBondContact CB-O 3.33Å; Q247-E249 PolarHBondContact O-N 3.05Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.82Å
250	D	83.2	Confident	88.4	Confident	41 Å²	41	44.4 Å²	44.4	22%	0.219	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	43.6	174.3	-64.5	-32.5	0	0	0	112.8	E252 L253 V254 S280	D250-E252 VanDerWaalsContact C-N 3.27Å; D250-E252 PolarHBondContact O-N 3.48Å; D250-L253 HydrophobicContact CB-CB 4.2Å; D250-L253 WeakPolarHBondContact O-CB 3.41Å; D250-L253 PolarHBondContact O-N 2.9Å; D250-L253 VanDerWaalsContact O-N 3.1Å; D250-V254 WeakPolarHBondContact O-CG2 3.29Å; D250-V254 PolarHBondContact O-N 2.75Å; D250-V254 VanDerWaalsContact O-N 3.1Å; D250-S280 WeakPolarHBondContact CB-OG 3.4Å; D250-S280 PolarHBondContact OD1-OG 2.77Å; D250-S280 PolarHBondContact OD2-OG 3.03Å
251	K	85.3	Confident	88.1	Confident	27 Å²	27	50.2 Å²	50.2	12%	0.117	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-42.5	-171.7	176.5	175.8	160.1	-175.1	0	112.6	V242 I248 E249 L253 V254 C255 G269 V270	V242-K251 WeakPolarHBondContact O-CE 3.41Å; V242-K251 PolarHBondContact O-NZ 2.85Å; I248-K251 HydrophobicContact CB-CB 4.46Å; I248-K251 HydrophobicContact CG2-CB 3.78Å; I248-K251 HydrophobicContact CG2-CG 4.11Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.82Å; K251-L253 PolarHBondContact O-N 3.43Å; K251-V254 PolarHBondContact O-N 3.01Å; K251-C255 WeakPolarHBondContact O-CB 3.34Å; K251-C255 PolarHBondContact O-N 3.36Å; K251-C255 PolarHBondContact O-SG 3.48Å; K251-G269 VanDerWaalsContact CE-O 3.31Å; K251-G269 WeakPolarHBondContact CE-O 3.35Å; K251-G269 PolarHBondContact NZ-O 2.87Å; K251-V270 HydrophobicContact CG-CG2 4.32Å
252	E	85.5	Confident	87.9	Confident	47 Å²	47	49.8 Å²	49.8	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-45.3	-180	-59.7	69.1	-151	0	0	110.9	D250 C255 L256 V270 L276	D250-E252 VanDerWaalsContact C-N 3.27Å; D250-E252 PolarHBondContact O-N 3.48Å; E252-C255 PolarHBondContact O-N 2.77Å; E252-L256 WeakPolarHBondContact O-CG 3.4Å; E252-L256 PolarHBondContact O-N 2.91Å; E252-V270 HydrophobicContact CB-CG1 4.14Å; E252-V270 HydrophobicContact CG-CG1 3.83Å; E252-L276 HydrophobicContact CB-CD1 3.53Å; E252-L276 HydrophobicContact CG-CD1 4.29Å
253	L	85.7	Confident	87.6	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-45.4	178.2	174.6	55.4	0	0	0	111.9	D250 K251 C255 L256 L257 K283 I284	D250-L253 HydrophobicContact CB-CB 4.2Å; D250-L253 WeakPolarHBondContact O-CB 3.41Å; D250-L253 PolarHBondContact O-N 2.9Å; D250-L253 VanDerWaalsContact O-N 3.1Å; K251-L253 PolarHBondContact O-N 3.43Å; L253-C255 VanDerWaalsContact C-N 3.29Å; L253-C255 PolarHBondContact O-N 2.81Å; L253-L256 PolarHBondContact O-N 2.99Å; L253-L257 HydrophobicContact CD1-CD1 4.32Å; L253-L257 HydrophobicContact CD1-CG 4.36Å; L253-L257 HydrophobicContact CG-CD1 4.38Å; L253-L257 WeakPolarHBondContact O-CG 3.47Å; L253-L257 PolarHBondContact O-N 3.46Å; L253-K283 HydrophobicContact CD2-CB 3.82Å; L253-K283 HydrophobicContact CD2-CD 3.56Å; L253-K283 HydrophobicContact CD2-CG 3.78Å; L253-I284 HydrophobicContact CD1-CD1 3.85Å; L253-I284 HydrophobicContact CD1-CG1 3.24Å; L253-I284 HydrophobicContact CG-CG1 4.43Å
254	V	88.8	Confident	87.6	Confident	13 Å²	13	61.6 Å²	61.6	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-39.1	179.7	179.6	0	0	0	0	110.8	L228 D250 K251 L257 L258	L228-V254 HydrophobicContact CB-CG1 3.79Å; L228-V254 HydrophobicContact CD1-CG1 4.29Å; D250-V254 WeakPolarHBondContact O-CG2 3.29Å; D250-V254 PolarHBondContact O-N 2.75Å; D250-V254 VanDerWaalsContact O-N 3.1Å; K251-V254 PolarHBondContact O-N 3.01Å; V254-L257 PolarHBondContact O-N 2.87Å; V254-L258 HydrophobicContact CG1-CD1 4.33Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 3.38Å
255	C	88.6	Confident	87.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.7	-66.6	0	0	0	0	111.6	K251 E252 L253 L257 L258 E259 I267 V270 Y272	K251-C255 WeakPolarHBondContact O-CB 3.34Å; K251-C255 PolarHBondContact O-N 3.36Å; K251-C255 PolarHBondContact O-SG 3.48Å; E252-C255 PolarHBondContact O-N 2.77Å; L253-C255 VanDerWaalsContact C-N 3.29Å; L253-C255 PolarHBondContact O-N 2.81Å; C255-L257 VanDerWaalsContact C-N 3.33Å; C255-L257 PolarHBondContact O-N 2.88Å; C255-L258 WeakPolarHBondContact O-CB 3.48Å; C255-L258 PolarHBondContact O-N 2.96Å; C255-L258 VanDerWaalsContact O-N 3.15Å; C255-E259 WeakPolarHBondContact O-CG 3.41Å; C255-E259 PolarHBondContact O-N 2.71Å; C255-I267 HydrophobicContact CB-CD1 3.66Å; C255-I267 HydrophobicContact CB-CG2 4.26Å; C255-I267 WeakPolarHBondContact O-CD1 3.32Å; C255-V270 HydrophobicContact CB-CG1 4.39Å; C255-V270 HydrophobicContact CB-CG2 3.91Å; C255-V270 WeakPolarHBondContact SG-CG2 3.49Å; C255-Y272 HydrophobicContact CB-CE1 4.39Å
256	L	87.8	Confident	87.8	Confident	71 Å²	71	65.6 Å²	65.6	37%	0.372	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-43	172.8	-73.1	171.6	0	0	0	112.3	E252 L253 L258 E259 D260 Y272 I284	E252-L256 WeakPolarHBondContact O-CG 3.4Å; E252-L256 PolarHBondContact O-N 2.91Å; L253-L256 PolarHBondContact O-N 2.99Å; L256-L258 VanDerWaalsContact C-N 3.32Å; L256-L258 PolarHBondContact O-N 3.2Å; L256-E259 PolarHBondContact O-N 3.34Å; L256-D260 PolarHBondContact O-N 3.27Å; L256-Y272 HydrophobicContact CD2-CD1 4.16Å; L256-Y272 HydrophobicContact CD2-CE1 3.85Å; L256-Y272 HydrophobicContact CG-CD1 4.31Å; L256-Y272 HydrophobicContact CG-CE1 3.93Å; L256-I284 HydrophobicContact CD1-CD1 4.34Å
257	L	88.3	Confident	88	Confident	63 Å²	63	61.1 Å²	61.1	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-35.8	176.4	-67.1	171.7	0	0	0	112.3	L253 V254 C255 D260 H261 L287	L253-L257 HydrophobicContact CD1-CD1 4.32Å; L253-L257 HydrophobicContact CD1-CG 4.36Å; L253-L257 HydrophobicContact CG-CD1 4.38Å; L253-L257 WeakPolarHBondContact O-CG 3.47Å; L253-L257 PolarHBondContact O-N 3.46Å; V254-L257 PolarHBondContact O-N 2.87Å; C255-L257 VanDerWaalsContact C-N 3.33Å; C255-L257 PolarHBondContact O-N 2.88Å; L257-D260 PolarHBondContact O-N 2.83Å; L257-H261 PolarHBondContact O-CD2 3.47Å; L257-H261 PolarHBondContact O-N 3.14Å; L257-H261 VanDerWaalsContact O-N 3.1Å; L257-L287 HydrophobicContact CD1-CD1 4.21Å; L257-L287 HydrophobicContact CD2-CD1 3.95Å
258	L	89.9	Confident	87.9	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-40.1	175.1	-75	173	0	0	0	112.1	L228 L231 A232 L240 V254 C255 L256 H261 L262 L265 I267	L228-L258 HydrophobicContact CB-CD1 4.35Å; L231-L258 HydrophobicContact CB-CD2 4.37Å; A232-L258 HydrophobicContact CB-CD2 3.98Å; L240-L258 HydrophobicContact CD2-CD1 4.19Å; V254-L258 HydrophobicContact CG1-CD1 4.33Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 3.38Å; C255-L258 WeakPolarHBondContact O-CB 3.48Å; C255-L258 PolarHBondContact O-N 2.96Å; C255-L258 VanDerWaalsContact O-N 3.15Å; L256-L258 VanDerWaalsContact C-N 3.32Å; L256-L258 PolarHBondContact O-N 3.2Å; L258-H261 PolarHBondContact O-N 2.98Å; L258-L262 WeakPolarHBondContact O-CB 3.39Å; L258-L262 PolarHBondContact O-N 3.43Å; L258-L265 HydrophobicContact CB-CD2 4.12Å; L258-I267 HydrophobicContact CB-CD1 4.06Å
259	E	88.5	Confident	87.6	Confident	57 Å²	57	59.5 Å²	59.5	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-37.8	174.9	-72.7	177.9	179.8	0	0	112	C255 L256 L262 I267 Y272	C255-E259 WeakPolarHBondContact O-CG 3.41Å; C255-E259 PolarHBondContact O-N 2.71Å; L256-E259 PolarHBondContact O-N 3.34Å; E259-L262 CarbonylContact O-C 3.46Å; E259-L262 PolarHBondContact O-N 2.81Å; E259-L262 VanDerWaalsContact O-O 3.13Å; E259-I267 HydrophobicContact CG-CD1 3.73Å; E259-I267 HydrophobicContact CG-CG1 4Å; E259-Y272 PolarHBondContact OE1-OH 2.87Å; E259-Y272 PolarHBondContact OE2-OH 2.91Å
260	D	88.2	Confident	87.3	Confident	117 Å²	117	53.4 Å²	53.4	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-44.7	174.5	-172.3	61.8	0	0	0	111.8	L256 L257	L256-D260 PolarHBondContact O-N 3.27Å; L257-D260 PolarHBondContact O-N 2.83Å
261	H	88.8	Confident	87	Confident	123 Å²	123	57.5 Å²	57.5	57%	0.569	30%	0.295	S	S	*	.	H	α-helix	trans	-71.3	-28.2	175.6	-73.5	-52.6	0	0	0	113.8	A232 L257 L258	A232-H261 HydrophobicContact CB-CB 4.36Å; L257-H261 PolarHBondContact O-CD2 3.47Å; L257-H261 PolarHBondContact O-N 3.14Å; L257-H261 VanDerWaalsContact O-N 3.1Å; L258-H261 PolarHBondContact O-N 2.98Å
262	L	90.4	Very high	86.4	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.068	31%	0.307	C	S	.	.			trans	-127.1	84.1	-176.2	-62.1	173.5	0	0	0	110	L258 E259 K264 L265	L258-L262 WeakPolarHBondContact O-CB 3.39Å; L258-L262 PolarHBondContact O-N 3.43Å; E259-L262 CarbonylContact O-C 3.46Å; E259-L262 PolarHBondContact O-N 2.81Å; E259-L262 VanDerWaalsContact O-O 3.13Å; L262-K264 PolarHBondContact O-N 3.06Å; L262-L265 HydrophobicContact CB-CB 3.78Å; L262-L265 HydrophobicContact CB-CD2 4.24Å; L262-L265 HydrophobicContact CD1-CD2 4.03Å; L262-L265 WeakPolarHBondContact O-CB 3.44Å; L262-L265 PolarHBondContact O-N 3.1Å
263	P	84.8	Confident	85.5	Confident	120 Å²	120	66.7 Å²	66.7	78%	0.779	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-7.7	-170.4	26.3	-36.7	0	0	0	115
264	K	88.1	Confident	84.3	Confident	167 Å²	167	68.6 Å²	68.6	73%	0.726	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	5.1	177.3	-64.7	179.9	-179.7	174.4	0	112.8	L262	L262-K264 PolarHBondContact O-N 3.06Å
265	L	91.6	Very high	83.1	Confident	16 Å²	16	77 Å²	77	8%	0.084	40%	0.397	C	S	.	.			trans	-82.9	130.2	-178.4	-176.9	62.8	0	0	0	110.3	L237 L240 L258 L262 I267	L237-L265 HydrophobicContact CB-CD1 4.17Å; L237-L265 HydrophobicContact CD2-CD1 3.65Å; L237-L265 HydrophobicContact CG-CD1 3.66Å; L240-L265 HydrophobicContact CB-CD1 3.89Å; L258-L265 HydrophobicContact CB-CD2 4.12Å; L262-L265 HydrophobicContact CB-CB 3.78Å; L262-L265 HydrophobicContact CB-CD2 4.24Å; L262-L265 HydrophobicContact CD1-CD2 4.03Å; L262-L265 WeakPolarHBondContact O-CB 3.44Å; L262-L265 PolarHBondContact O-N 3.1Å; L265-I267 HydrophobicContact CD2-CD1 3.82Å; L265-I267 HydrophobicContact CD2-CG1 3.76Å; L265-I267 HydrophobicContact CG-CD1 4.4Å; L265-I267 HydrophobicContact CG-CG1 3.81Å
266	Y	89.4	Confident	82	Confident	137 Å²	137	78.4 Å²	78.4	54%	0.537	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.9	167.1	177.8	-96.9	0	0	0	109	R238 R239 L240 D268	R238-Y266 PolarHBondContact O-N 3.22Å; R239-Y266 VanDerWaalsContact CA-O 3.32Å; R239-Y266 WeakPolarHBondContact CA-O 3.3Å; R239-Y266 HydrophobicContact CG-CD1 4.24Å; L240-Y266 PolarHBondContact N-O 3.33Å; Y266-D268 HydrophobicContact CE1-CB 4.04Å
267	I	90.7	Very high	81.1	Confident	8 Å²	8	77.8 Å²	77.8	4%	0.041	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.7	178.5	-54.5	-176.4	0	0	0	109.9	L240 V242 C255 L258 E259 L265 V270	L240-I267 HydrophobicContact CB-CG1 4.41Å; L240-I267 HydrophobicContact CD2-CD1 4.42Å; L240-I267 HydrophobicContact CD2-CG1 4.44Å; L240-I267 CarbonylContact O-C 3.11Å; L240-I267 WeakPolarHBondContact O-CA 3.49Å; V242-I267 HydrophobicContact CG2-CG2 3.54Å; C255-I267 HydrophobicContact CB-CD1 3.66Å; C255-I267 HydrophobicContact CB-CG2 4.26Å; C255-I267 WeakPolarHBondContact O-CD1 3.32Å; L258-I267 HydrophobicContact CB-CD1 4.06Å; E259-I267 HydrophobicContact CG-CD1 3.73Å; E259-I267 HydrophobicContact CG-CG1 4Å; L265-I267 HydrophobicContact CD2-CD1 3.82Å; L265-I267 HydrophobicContact CD2-CG1 3.76Å; L265-I267 HydrophobicContact CG-CD1 4.4Å; L265-I267 HydrophobicContact CG-CG1 3.81Å; I267-V270 HydrophobicContact CG2-CG2 3.7Å
268	D	87.4	Confident	80.5	Confident	50 Å²	50	80 Å²	80	27%	0.267	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.1	-178.3	-162.8	-1.6	0	0	0	110.6	R239 L240 I241 V242 Y266	R239-D268 IonicContact CZ-OD2 2.83Å; R239-D268 IonicContact NE-OD2 3.87Å; R239-D268 IonicContact NH2-OD2 4Å; R239-D268 PolarHBondContact NH2-OD2 2.9Å; L240-D268 PolarHBondContact O-N 2.93Å; I241-D268 HydrophobicContact CB-CB 4.38Å; I241-D268 HydrophobicContact CG1-CB 4.06Å; I241-D268 HydrophobicContact CG2-CB 4.18Å; V242-D268 PolarHBondContact N-O 2.88Å; Y266-D268 HydrophobicContact CE1-CB 4.04Å
269	G	82.6	Confident	79.8	Confident	29 Å²	29	87.9 Å²	87.9	30%	0.299	45%	0.451	S	S	.	.	S	Bend	trans	91.1	18.8	179.8	0	0	0	0	0	116.1	K251	K251-G269 VanDerWaalsContact CE-O 3.31Å; K251-G269 WeakPolarHBondContact CE-O 3.35Å; K251-G269 PolarHBondContact NZ-O 2.87Å
270	V	80.5	Confident	79.1	Confident	16 Å²	16	85.2 Å²	85.2	10%	0.097	44%	0.439	C	S	.	.			trans	-113.3	126.5	173.6	-175.7	0	0	0	0	108.8	V242 K251 E252 C255 I267 Y272	V242-V270 HydrophobicContact CG2-CG2 3.73Å; K251-V270 HydrophobicContact CG-CG2 4.32Å; E252-V270 HydrophobicContact CB-CG1 4.14Å; E252-V270 HydrophobicContact CG-CG1 3.83Å; C255-V270 HydrophobicContact CB-CG1 4.39Å; C255-V270 HydrophobicContact CB-CG2 3.91Å; C255-V270 WeakPolarHBondContact SG-CG2 3.49Å; I267-V270 HydrophobicContact CG2-CG2 3.7Å; V270-Y272 HydrophobicContact CB-CE1 4.39Å; V270-Y272 HydrophobicContact CB-CE2 4.49Å; V270-Y272 HydrophobicContact CG1-CD1 3.99Å; V270-Y272 HydrophobicContact CG1-CE1 3.74Å; V270-Y272 HydrophobicContact CG1-CG 4.49Å; V270-Y272 PolarHBondContact O-N 3.5Å
271	D	76.8	Confident	78.3	Confident	127 Å²	127	83.9 Å²	83.9	68%	0.679	43%	0.427	S	S	*	.			trans	-91.6	84	177.4	-67.7	-25.2	0	0	0	109.9	I273 G274	D271-I273 PolarHBondContact O-N 3.45Å; D271-I273 VanDerWaalsContact O-N 3.12Å; D271-G274 PolarHBondContact O-N 2.94Å
272	Y	73	Confident	77.8	Confident	92 Å²	92	83 Å²	83	36%	0.361	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	177.7	-63.7	-63.2	0	0	0	113.7	C255 L256 E259 V270 G274	C255-Y272 HydrophobicContact CB-CE1 4.39Å; L256-Y272 HydrophobicContact CD2-CD1 4.16Å; L256-Y272 HydrophobicContact CD2-CE1 3.85Å; L256-Y272 HydrophobicContact CG-CD1 4.31Å; L256-Y272 HydrophobicContact CG-CE1 3.93Å; E259-Y272 PolarHBondContact OE1-OH 2.87Å; E259-Y272 PolarHBondContact OE2-OH 2.91Å; V270-Y272 HydrophobicContact CB-CE1 4.39Å; V270-Y272 HydrophobicContact CB-CE2 4.49Å; V270-Y272 HydrophobicContact CG1-CD1 3.99Å; V270-Y272 HydrophobicContact CG1-CE1 3.74Å; V270-Y272 HydrophobicContact CG1-CG 4.49Å; V270-Y272 PolarHBondContact O-N 3.5Å; Y272-G274 VanDerWaalsContact C-N 3.25Å; Y272-G274 PolarHBondContact O-N 3.4Å
273	I	64.7	Low	77.1	Confident	175 Å²	175	87.1 Å²	87.1	90%	0.897	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.9	179.3	-53.2	176.4	0	0	0	111.4	D271	D271-I273 PolarHBondContact O-N 3.45Å; D271-I273 VanDerWaalsContact O-N 3.12Å
274	G	62.5	Low	76.6	Confident	42 Å²	42	83.7 Å²	83.7	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	-60.1	153.8	172.3	0	0	0	0	0	112.1	D271 Y272 L276	D271-G274 PolarHBondContact O-N 2.94Å; Y272-G274 VanDerWaalsContact C-N 3.25Å; Y272-G274 PolarHBondContact O-N 3.4Å; G274-L276 PolarHBondContact O-N 2.9Å
275	Q	61.8	Low	76.1	Confident	190 Å²	190	81.3 Å²	81.3	89%	0.888	41%	0.41	S	S	*	.			trans	-65.1	98.9	170.3	-68.5	-178.8	2.1	0	0	108.3
276	L	66.6	Low	75.5	Confident	29 Å²	29	88.8 Å²	88.8	15%	0.152	44%	0.437	C	S	.	.			trans	-48.6	128.1	169.7	-170.1	77.9	0	0	0	108.4	E252 G274 K281 I284	E252-L276 HydrophobicContact CB-CD1 3.53Å; E252-L276 HydrophobicContact CG-CD1 4.29Å; G274-L276 PolarHBondContact O-N 2.9Å; L276-K281 HydrophobicContact CB-CG 4.23Å; L276-K281 HydrophobicContact CD2-CB 4.45Å; L276-K281 HydrophobicContact CD2-CG 3.77Å; L276-K281 HydrophobicContact CG-CG 4.29Å; L276-K281 WeakPolarHBondContact O-CE 3.38Å; L276-K281 PolarHBondContact O-NZ 3.31Å; L276-I284 HydrophobicContact CD2-CD1 3.34Å; L276-I284 HydrophobicContact CD2-CG1 4.4Å
277	P	69.5	Low	74.8	Confident	59 Å²	59	85.4 Å²	85.4	38%	0.383	43%	0.428	S	S	.	.			trans	-57.3	142.9	-179.5	17.2	-27	0	0	0	110.5	K279 S280 K281	P277-K279 PolarHBondContact O-N 3.44Å; P277-K279 VanDerWaalsContact O-N 3.1Å; P277-S280 WeakPolarHBondContact O-CA 3.18Å; P277-S280 VanDerWaalsContact O-CB 3.23Å; P277-S280 WeakPolarHBondContact O-CB 3.01Å; P277-S280 PolarHBondContact O-N 2.8Å; P277-K281 PolarHBondContact O-N 2.68Å; P277-K281 VanDerWaalsContact O-N 3.11Å
278	D	74.9	Confident	74.1	Confident	110 Å²	110	88.2 Å²	88.2	59%	0.588	45%	0.446	S	S	*	.	H	α-helix	trans	-59.1	-32.2	-171.9	-63.4	-36.3	0	0	0	112.9	S280 K281 E282	D278-S280 VanDerWaalsContact C-N 3.31Å; D278-S280 PolarHBondContact O-N 3.25Å; D278-K281 WeakPolarHBondContact O-CB 3.36Å; D278-K281 PolarHBondContact O-N 2.86Å; D278-K281 IonicContact OD1-NZ 2.79Å; D278-K281 PolarHBondContact OD1-NZ 3.41Å; D278-E282 PolarHBondContact O-N 3.48Å
279	K	76	Confident	73.7	Confident	169 Å²	169	88.4 Å²	88.4	74%	0.735	45%	0.45	S	S	*	.	H	α-helix	trans	-58.9	-40.2	171.7	-67.1	-176.8	178.6	178.5	0	112.9	P277 K283	P277-K279 PolarHBondContact O-N 3.44Å; P277-K279 VanDerWaalsContact O-N 3.1Å; K279-K283 WeakPolarHBondContact O-CB 3.46Å; K279-K283 PolarHBondContact O-N 3.34Å; K279-K283 VanDerWaalsContact O-N 3.16Å
280	S	73	Confident	73.4	Confident	0 Å²	0	90.3 Å²	90.3	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-68.7	-40.4	175.2	-93.2	0	0	0	0	111.5	D250 P277 D278 E282 K283 I284	D250-S280 WeakPolarHBondContact CB-OG 3.4Å; D250-S280 PolarHBondContact OD1-OG 2.77Å; D250-S280 PolarHBondContact OD2-OG 3.03Å; P277-S280 WeakPolarHBondContact O-CA 3.18Å; P277-S280 VanDerWaalsContact O-CB 3.23Å; P277-S280 WeakPolarHBondContact O-CB 3.01Å; P277-S280 PolarHBondContact O-N 2.8Å; D278-S280 VanDerWaalsContact C-N 3.31Å; D278-S280 PolarHBondContact O-N 3.25Å; S280-E282 PolarHBondContact O-N 3.2Å; S280-K283 WeakPolarHBondContact O-CB 3.25Å; S280-K283 PolarHBondContact O-N 3.22Å; S280-K283 VanDerWaalsContact O-N 3.14Å; S280-I284 WeakPolarHBondContact O-CG1 3.44Å; S280-I284 PolarHBondContact O-N 2.9Å
281	K	71.7	Confident	72.7	Confident	89 Å²	89	94.1 Å²	94.1	39%	0.387	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-48.1	175.3	-65.7	177.3	-172.6	148.4	0	111.4	L276 P277 D278 K283 I284 L285	L276-K281 HydrophobicContact CB-CG 4.23Å; L276-K281 HydrophobicContact CD2-CB 4.45Å; L276-K281 HydrophobicContact CD2-CG 3.77Å; L276-K281 HydrophobicContact CG-CG 4.29Å; L276-K281 WeakPolarHBondContact O-CE 3.38Å; L276-K281 PolarHBondContact O-NZ 3.31Å; P277-K281 PolarHBondContact O-N 2.68Å; P277-K281 VanDerWaalsContact O-N 3.11Å; D278-K281 WeakPolarHBondContact O-CB 3.36Å; D278-K281 PolarHBondContact O-N 2.86Å; D278-K281 IonicContact OD1-NZ 2.79Å; D278-K281 PolarHBondContact OD1-NZ 3.41Å; K281-K283 PolarHBondContact O-N 2.85Å; K281-I284 PolarHBondContact O-N 2.84Å; K281-L285 WeakPolarHBondContact O-CG 3.33Å; K281-L285 PolarHBondContact O-N 3.43Å
282	E	77.3	Confident	72.4	Confident	106 Å²	106	92.9 Å²	92.9	50%	0.495	47%	0.467	S	S	.	.	H	α-helix	trans	-57.6	-39.6	175.3	-73.7	-177.6	-165.8	0	0	112	D278 S280 L285 R286	D278-E282 PolarHBondContact O-N 3.48Å; S280-E282 PolarHBondContact O-N 3.2Å; E282-L285 PolarHBondContact O-N 3.14Å; E282-R286 WeakPolarHBondContact O-CG 3.33Å; E282-R286 PolarHBondContact O-N 2.98Å; E282-R286 IonicContact OE2-NH2 3.79Å
283	K	77.2	Confident	72.1	Confident	98 Å²	98	95.4 Å²	95.4	43%	0.426	48%	0.479	S	S	.	.	H	α-helix	trans	-67.2	-40	178.9	-168.1	168.4	167.4	-168	0	111.9	L253 K279 S280 K281 R286 L287	L253-K283 HydrophobicContact CD2-CB 3.82Å; L253-K283 HydrophobicContact CD2-CD 3.56Å; L253-K283 HydrophobicContact CD2-CG 3.78Å; K279-K283 WeakPolarHBondContact O-CB 3.46Å; K279-K283 PolarHBondContact O-N 3.34Å; K279-K283 VanDerWaalsContact O-N 3.16Å; S280-K283 WeakPolarHBondContact O-CB 3.25Å; S280-K283 PolarHBondContact O-N 3.22Å; S280-K283 VanDerWaalsContact O-N 3.14Å; K281-K283 PolarHBondContact O-N 2.85Å; K283-R286 PolarHBondContact O-N 2.98Å; K283-L287 WeakPolarHBondContact O-CG 3.48Å; K283-L287 PolarHBondContact O-N 2.89Å
284	I	73.4	Confident	71.5	Confident	49 Å²	49	93.8 Å²	93.8	25%	0.251	47%	0.466	S	S	.	.	H	α-helix	trans	-60.7	-50.2	170.8	-65.9	175	0	0	0	110.2	L253 L256 L276 S280 K281 R286 L287 V288	L253-I284 HydrophobicContact CD1-CD1 3.85Å; L253-I284 HydrophobicContact CD1-CG1 3.24Å; L253-I284 HydrophobicContact CG-CG1 4.43Å; L256-I284 HydrophobicContact CD1-CD1 4.34Å; L276-I284 HydrophobicContact CD2-CD1 3.34Å; L276-I284 HydrophobicContact CD2-CG1 4.4Å; S280-I284 WeakPolarHBondContact O-CG1 3.44Å; S280-I284 PolarHBondContact O-N 2.9Å; K281-I284 PolarHBondContact O-N 2.84Å; I284-R286 VanDerWaalsContact C-N 3.25Å; I284-R286 PolarHBondContact O-N 3.42Å; I284-L287 PolarHBondContact O-N 2.84Å; I284-V288 HydrophobicContact CG2-CG2 3.95Å; I284-V288 WeakPolarHBondContact O-CG2 3.35Å; I284-V288 PolarHBondContact O-N 3.4Å
285	L	78.1	Confident	71.3	Confident	116 Å²	116	95.1 Å²	95.1	61%	0.607	47%	0.466	S	S	*	.	H	α-helix	trans	-57.1	-40.2	-179.5	-71.7	170.4	0	0	0	111.8	K281 E282 S289	K281-L285 WeakPolarHBondContact O-CG 3.33Å; K281-L285 PolarHBondContact O-N 3.43Å; E282-L285 PolarHBondContact O-N 3.14Å; L285-S289 VanDerWaalsContact O-CB 3.28Å; L285-S289 WeakPolarHBondContact O-CB 3.37Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.33Å
286	R	78.7	Confident	71.2	Confident	173 Å²	173	91.1 Å²	91.1	65%	0.653	45%	0.447	S	S	*	.	H	α-helix	trans	-63.3	-44.6	173.6	-71	177	-166.1	-173.3	7.8	112.1	E282 K283 I284 S289 T290	E282-R286 WeakPolarHBondContact O-CG 3.33Å; E282-R286 PolarHBondContact O-N 2.98Å; E282-R286 IonicContact OE2-NH2 3.79Å; K283-R286 PolarHBondContact O-N 2.98Å; I284-R286 VanDerWaalsContact C-N 3.25Å; I284-R286 PolarHBondContact O-N 3.42Å; R286-S289 PolarHBondContact O-N 2.94Å; R286-T290 WeakPolarHBondContact O-CG2 3.44Å; R286-T290 PolarHBondContact O-N 3.01Å; R286-T290 PolarHBondContact O-OG1 3.37Å
287	L	74.5	Confident	70.8	Confident	66 Å²	66	91.9 Å²	91.9	35%	0.346	46%	0.458	S	S	.	.	H	α-helix	trans	-66.9	-42.1	179.9	-71.3	169.1	0	0	0	112.6	L257 K283 I284 T290 N291	L257-L287 HydrophobicContact CD1-CD1 4.21Å; L257-L287 HydrophobicContact CD2-CD1 3.95Å; K283-L287 WeakPolarHBondContact O-CG 3.48Å; K283-L287 PolarHBondContact O-N 2.89Å; I284-L287 PolarHBondContact O-N 2.84Å; L287-T290 VanDerWaalsContact C-OG1 3.32Å; L287-T290 VanDerWaalsContact CA-OG1 3.29Å; L287-T290 WeakPolarHBondContact CA-OG1 3.47Å; L287-T290 PolarHBondContact O-N 3.36Å; L287-T290 PolarHBondContact O-OG1 3.36Å; L287-N291 PolarHBondContact O-N 3.45Å
288	V	76.2	Confident	70.1	Confident	68 Å²	68	94.6 Å²	94.6	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-63.2	-46.1	174.5	176	0	0	0	0	110	I284 T290 N291 E292	I284-V288 HydrophobicContact CG2-CG2 3.95Å; I284-V288 WeakPolarHBondContact O-CG2 3.35Å; I284-V288 PolarHBondContact O-N 3.4Å; V288-T290 VanDerWaalsContact C-N 3.29Å; V288-T290 PolarHBondContact O-N 2.88Å; V288-N291 PolarHBondContact O-N 3.17Å; V288-N291 VanDerWaalsContact O-N 3.1Å; V288-E292 WeakPolarHBondContact O-CG 3.45Å; V288-E292 PolarHBondContact O-N 3.39Å
289	S	78	Confident	69.2	Low	53 Å²	53	94.2 Å²	94.2	37%	0.371	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-36.6	176.2	-58.5	0	0	0	0	112.6	L285 R286 K293	L285-S289 VanDerWaalsContact O-CB 3.28Å; L285-S289 WeakPolarHBondContact O-CB 3.37Å; L285-S289 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-OG 3.33Å; R286-S289 PolarHBondContact O-N 2.94Å; S289-K293 WeakPolarHBondContact O-CG 3.42Å; S289-K293 PolarHBondContact O-N 2.88Å; S289-K293 VanDerWaalsContact O-N 3.12Å
290	T	76.5	Confident	68.2	Low	69 Å²	69	92.6 Å²	92.6	42%	0.423	46%	0.458	S	S	.	.	H	α-helix	trans	-69.6	-36.9	175.2	47.8	0	0	0	0	112.3	R286 L287 V288 K293 F294	R286-T290 WeakPolarHBondContact O-CG2 3.44Å; R286-T290 PolarHBondContact O-N 3.01Å; R286-T290 PolarHBondContact O-OG1 3.37Å; L287-T290 VanDerWaalsContact C-OG1 3.32Å; L287-T290 VanDerWaalsContact CA-OG1 3.29Å; L287-T290 WeakPolarHBondContact CA-OG1 3.47Å; L287-T290 PolarHBondContact O-N 3.36Å; L287-T290 PolarHBondContact O-OG1 3.36Å; V288-T290 VanDerWaalsContact C-N 3.29Å; V288-T290 PolarHBondContact O-N 2.88Å; T290-K293 PolarHBondContact O-N 3.19Å; T290-F294 PolarHBondContact O-N 3.01Å
291	N	66.7	Low	67.5	Low	96 Å²	96	99 Å²	99	51%	0.513	49%	0.488	S	S	.	.	H	α-helix	trans	-68.7	-40	175.7	-78.7	-5.1	0	0	0	111.6	L287 V288 K293 F294 T295	L287-N291 PolarHBondContact O-N 3.45Å; V288-N291 PolarHBondContact O-N 3.17Å; V288-N291 VanDerWaalsContact O-N 3.1Å; N291-K293 VanDerWaalsContact C-N 3.33Å; N291-K293 PolarHBondContact O-N 2.65Å; N291-F294 WeakPolarHBondContact O-CB 3.29Å; N291-F294 PolarHBondContact O-N 3Å; N291-F294 VanDerWaalsContact O-N 3.15Å; N291-T295 PolarHBondContact O-N 2.64Å; N291-T295 PolarHBondContact O-OG1 2.98Å
292	E	70.5	Confident	66.7	Low	102 Å²	102	98.3 Å²	98.3	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-39.7	173.9	-73.5	179	177.7	0	0	112.2	V288 F294 T295 Q296	V288-E292 WeakPolarHBondContact O-CG 3.45Å; V288-E292 PolarHBondContact O-N 3.39Å; E292-F294 VanDerWaalsContact C-N 3.34Å; E292-T295 WeakPolarHBondContact CA-OG1 3.28Å; E292-T295 PolarHBondContact O-N 2.81Å; E292-T295 PolarHBondContact O-OG1 3.04Å; E292-Q296 VanDerWaalsContact O-CB 3.26Å; E292-Q296 WeakPolarHBondContact O-CB 3.31Å; E292-Q296 WeakPolarHBondContact O-CG 3.25Å; E292-Q296 PolarHBondContact O-N 2.84Å
293	K	66.3	Low	65.6	Low	144 Å²	144	98 Å²	98	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-36.9	173.1	-72	176.1	-176.7	-175.6	0	112.1	S289 T290 N291 A297	S289-K293 WeakPolarHBondContact O-CG 3.42Å; S289-K293 PolarHBondContact O-N 2.88Å; S289-K293 VanDerWaalsContact O-N 3.12Å; T290-K293 PolarHBondContact O-N 3.19Å; N291-K293 VanDerWaalsContact C-N 3.33Å; N291-K293 PolarHBondContact O-N 2.65Å; K293-A297 WeakPolarHBondContact O-CB 3.03Å; K293-A297 PolarHBondContact O-N 3.42Å
294	F	52.6	Low	64.6	Low	141 Å²	141	96.6 Å²	96.6	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-67.5	-42	175.4	-114.9	-85.7	0	0	0	112.2	T290 N291 E292 A297 Q298	T290-F294 PolarHBondContact O-N 3.01Å; N291-F294 WeakPolarHBondContact O-CB 3.29Å; N291-F294 PolarHBondContact O-N 3Å; N291-F294 VanDerWaalsContact O-N 3.15Å; E292-F294 VanDerWaalsContact C-N 3.34Å; F294-A297 PolarHBondContact O-N 3.02Å; F294-Q298 WeakPolarHBondContact O-CG 3.25Å; F294-Q298 PolarHBondContact O-N 2.8Å
295	T	58.3	Low	63.7	Low	70 Å²	70	99.4 Å²	99.4	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-71.5	-36.1	176.6	52.4	0	0	0	0	111.9	N291 E292 Q298 N299	N291-T295 PolarHBondContact O-N 2.64Å; N291-T295 PolarHBondContact O-OG1 2.98Å; E292-T295 WeakPolarHBondContact CA-OG1 3.28Å; E292-T295 PolarHBondContact O-N 2.81Å; E292-T295 PolarHBondContact O-OG1 3.04Å; T295-Q298 PolarHBondContact O-N 2.72Å; T295-N299 VanDerWaalsContact O-CB 3.27Å; T295-N299 WeakPolarHBondContact O-CB 3.47Å; T295-N299 PolarHBondContact O-N 2.88Å; T295-N299 PolarHBondContact O-ND2 3.13Å
296	Q	58.4	Low	62.5	Low	106 Å²	106	100.2 Å²	100.2	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-44.4	171.7	-74.8	170.2	10.9	0	0	111.6	E292 Q298 N299 E300	E292-Q296 VanDerWaalsContact O-CB 3.26Å; E292-Q296 WeakPolarHBondContact O-CB 3.31Å; E292-Q296 WeakPolarHBondContact O-CG 3.25Å; E292-Q296 PolarHBondContact O-N 2.84Å; Q296-Q298 PolarHBondContact O-N 2.7Å; Q296-N299 CarbonylContact O-C 3.6Å; Q296-N299 PolarHBondContact O-N 2.89Å; Q296-E300 WeakPolarHBondContact O-CB 3.27Å; Q296-E300 WeakPolarHBondContact O-CG 3.49Å; Q296-E300 PolarHBondContact O-N 3.4Å
297	A	59.1	Low	61.2	Low	46 Å²	46	95.4 Å²	95.4	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-41.7	175.9	0	0	0	0	0	112.6	K293 F294 E300 E301	K293-A297 WeakPolarHBondContact O-CB 3.03Å; K293-A297 PolarHBondContact O-N 3.42Å; F294-A297 PolarHBondContact O-N 3.02Å; A297-E300 PolarHBondContact O-N 3.27Å; A297-E301 WeakPolarHBondContact O-CG 3.13Å; A297-E301 PolarHBondContact O-N 3.31Å
298	Q	54.3	Low	60.1	Low	115 Å²	115	100.2 Å²	100.2	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-37.7	173.9	-73.5	-174.4	-10.1	0	0	112.6	F294 T295 Q296 T302	F294-Q298 WeakPolarHBondContact O-CG 3.25Å; F294-Q298 PolarHBondContact O-N 2.8Å; T295-Q298 PolarHBondContact O-N 2.72Å; Q296-Q298 PolarHBondContact O-N 2.7Å; Q298-T302 WeakPolarHBondContact O-CB 3.48Å; Q298-T302 WeakPolarHBondContact O-CG2 3.5Å; Q298-T302 PolarHBondContact O-N 3.46Å; Q298-T302 PolarHBondContact O-OG1 3.02Å
299	N	55.5	Low	58.9	Low	103 Å²	103	103.3 Å²	103.3	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-70.7	-35.1	176.8	-71.6	-18.6	0	0	0	111.8	T295 Q296 T302 N303	T295-N299 VanDerWaalsContact O-CB 3.27Å; T295-N299 WeakPolarHBondContact O-CB 3.47Å; T295-N299 PolarHBondContact O-N 2.88Å; T295-N299 PolarHBondContact O-ND2 3.13Å; Q296-N299 CarbonylContact O-C 3.6Å; Q296-N299 PolarHBondContact O-N 2.89Å; N299-T302 WeakPolarHBondContact CA-OG1 3.34Å; N299-T302 PolarHBondContact O-OG1 3.21Å; N299-N303 WeakPolarHBondContact O-CB 3.34Å; N299-N303 PolarHBondContact O-N 3.32Å
300	E	56.7	Low	57.5	Low	134 Å²	134	107.1 Å²	107.1	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-68.8	-45	174.6	-77	179.5	179	0	0	111.4	Q296 A297 T302 N303 T304	Q296-E300 WeakPolarHBondContact O-CB 3.27Å; Q296-E300 WeakPolarHBondContact O-CG 3.49Å; Q296-E300 PolarHBondContact O-N 3.4Å; A297-E300 PolarHBondContact O-N 3.27Å; E300-T302 PolarHBondContact O-N 3.29Å; E300-N303 PolarHBondContact O-N 3.14Å; E300-T304 WeakPolarHBondContact O-CG2 3.36Å; E300-T304 PolarHBondContact O-N 2.94Å; E300-T304 PolarHBondContact O-OG1 2.92Å
301	E	57.1	Low	56.1	Low	134 Å²	134	111.4 Å²	111.4	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-58.7	-49.3	173.7	-76.7	179.5	173.1	0	0	111.4	A297 N303 T304 D305	A297-E301 WeakPolarHBondContact O-CG 3.13Å; A297-E301 PolarHBondContact O-N 3.31Å; E301-N303 VanDerWaalsContact C-N 3.31Å; E301-N303 PolarHBondContact O-N 3.26Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-N 3.44Å; E301-T304 PolarHBondContact O-OG1 3.08Å; E301-D305 PolarHBondContact O-N 2.92Å; E301-D305 VanDerWaalsContact O-N 3.11Å
302	T	56.1	Low	55.1	Low	76 Å²	76	116 Å²	116	47%	0.466	57%	0.571	S	S	.	*	H	α-helix	trans	-68	-26.8	178.3	55.2	0	0	0	0	114.1	Q298 N299 E300 K306	Q298-T302 WeakPolarHBondContact O-CB 3.48Å; Q298-T302 WeakPolarHBondContact O-CG2 3.5Å; Q298-T302 PolarHBondContact O-N 3.46Å; Q298-T302 PolarHBondContact O-OG1 3.02Å; N299-T302 WeakPolarHBondContact CA-OG1 3.34Å; N299-T302 PolarHBondContact O-OG1 3.21Å; E300-T302 PolarHBondContact O-N 3.29Å; T302-K306 PolarHBondContact O-N 3.34Å
303	N	54.2	Low	53.8	Low	98 Å²	98	118.5 Å²	118.5	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-79.6	-35	174.9	-159.2	21	0	0	0	111.4	N299 E300 E301 D305 K306 V307	N299-N303 WeakPolarHBondContact O-CB 3.34Å; N299-N303 PolarHBondContact O-N 3.32Å; E300-N303 PolarHBondContact O-N 3.14Å; E301-N303 VanDerWaalsContact C-N 3.31Å; E301-N303 PolarHBondContact O-N 3.26Å; N303-D305 VanDerWaalsContact C-N 3.32Å; N303-D305 PolarHBondContact O-N 3.12Å; N303-K306 PolarHBondContact O-N 3.21Å; N303-K306 VanDerWaalsContact O-N 3.13Å; N303-V307 WeakPolarHBondContact O-CG2 3.31Å; N303-V307 PolarHBondContact O-N 3.48Å
304	T	56	Low	53.1	Low	69 Å²	69	117.2 Å²	117.2	42%	0.423	61%	0.608	S	S	.	*	H	α-helix	trans	-60.6	-42.5	171.4	53.5	0	0	0	0	111.4	E300 E301 K306 V307 Y308	E300-T304 WeakPolarHBondContact O-CG2 3.36Å; E300-T304 PolarHBondContact O-N 2.94Å; E300-T304 PolarHBondContact O-OG1 2.92Å; E301-T304 WeakPolarHBondContact CA-OG1 3.45Å; E301-T304 PolarHBondContact O-N 3.44Å; E301-T304 PolarHBondContact O-OG1 3.08Å; T304-K306 VanDerWaalsContact C-N 3.25Å; T304-K306 PolarHBondContact O-N 3.04Å; T304-V307 PolarHBondContact O-N 2.98Å; T304-Y308 WeakPolarHBondContact O-CD2 3.48Å; T304-Y308 PolarHBondContact O-N 2.92Å
305	D	54.2	Low	53.2	Low	108 Å²	108	115.9 Å²	115.9	58%	0.578	61%	0.607	S	S	*	*	H	α-helix	trans	-59.7	-34.3	174.3	-75	-18.6	0	0	0	112.8	E301 N303 L309	E301-D305 PolarHBondContact O-N 2.92Å; E301-D305 VanDerWaalsContact O-N 3.11Å; N303-D305 VanDerWaalsContact C-N 3.32Å; N303-D305 PolarHBondContact O-N 3.12Å; D305-L309 WeakPolarHBondContact O-CD1 3.34Å; D305-L309 WeakPolarHBondContact O-CG 3.42Å
306	K	51.8	Low	52.9	Low	134 Å²	134	118.5 Å²	118.5	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-75.9	-37.1	175.6	-74.1	178.9	-178.7	175.9	0	113.2	T302 N303 T304 L309 I310	T302-K306 PolarHBondContact O-N 3.34Å; N303-K306 PolarHBondContact O-N 3.21Å; N303-K306 VanDerWaalsContact O-N 3.13Å; T304-K306 VanDerWaalsContact C-N 3.25Å; T304-K306 PolarHBondContact O-N 3.04Å; K306-L309 PolarHBondContact O-N 2.91Å; K306-I310 WeakPolarHBondContact O-CG1 3.03Å; K306-I310 PolarHBondContact O-N 3.48Å
307	V	53.4	Low	52.5	Low	72 Å²	72	119.2 Å²	119.2	44%	0.436	62%	0.624	S	S	.	*	H	α-helix	trans	-65.4	-42.1	177.8	173.6	0	0	0	0	110.7	N303 T304 L309 I310 E311	N303-V307 WeakPolarHBondContact O-CG2 3.31Å; N303-V307 PolarHBondContact O-N 3.48Å; T304-V307 PolarHBondContact O-N 2.98Å; V307-L309 PolarHBondContact O-N 3.36Å; V307-I310 PolarHBondContact O-N 3.25Å; V307-E311 PolarHBondContact O-N 2.97Å
308	Y	49.4	Very low	52.1	Low	167 Å²	167	123.8 Å²	123.8	66%	0.655	64%	0.64	S	S	*	*	H	α-helix	trans	-65.8	-19.4	175.8	-74.5	-67.5	0	0	0	114.2	T304	T304-Y308 WeakPolarHBondContact O-CD2 3.48Å; T304-Y308 PolarHBondContact O-N 2.92Å
309	L	51.5	Low	52	Low	133 Å²	133	124.4 Å²	124.4	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-84	-24.7	175.6	-74.4	168.1	0	0	0	113.2	D305 K306 V307	D305-L309 WeakPolarHBondContact O-CD1 3.34Å; D305-L309 WeakPolarHBondContact O-CG 3.42Å; K306-L309 PolarHBondContact O-N 2.91Å; V307-L309 PolarHBondContact O-N 3.36Å
310	I	49.3	Very low	51.7	Low	132 Å²	132	125.9 Å²	125.9	68%	0.677	65%	0.653	S	S	*	*	H	α-helix	trans	-82.7	-31	-178.7	-63.2	167.1	0	0	0	111.5	K306 V307 K312	K306-I310 WeakPolarHBondContact O-CG1 3.03Å; K306-I310 PolarHBondContact O-N 3.48Å; V307-I310 PolarHBondContact O-N 3.25Å; I310-K312 VanDerWaalsContact C-N 3.27Å; I310-K312 PolarHBondContact O-N 2.87Å
311	E	47.4	Very low	51.4	Low	159 Å²	159	125.3 Å²	125.3	74%	0.743	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	0.2	178.7	-69.9	-169.8	160.1	0	0	114.6	V307	V307-E311 PolarHBondContact O-N 2.97Å
312	K	44.5	Very low	50.9	Low	193 Å²	193	124.6 Å²	124.6	84%	0.839	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	9.4	-178.5	-95.8	-173.1	178.7	178.1	0	115.7	I310	I310-K312 VanDerWaalsContact C-N 3.27Å; I310-K312 PolarHBondContact O-N 2.87Å
313	A	42.9	Very low	50.4	Low	154 Å²	154	129 Å²	129	100%	1.273	68%	0.675	S	S	*	*			trans	-96.2	0	171.2	0	0	0	0	0	110.7

Retrieved 313 of 313 residues in 970.1 ms (Link to these results)

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