A0A096LNV3_HUMAN Loading...

E3 ubiquitin-protein ligase RNF114

AlphaFold DB , UniProt , Accession A0A096LNV3, Species HUMAN (Homo sapiens, Human), Gene RNF114, Length 188 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	38.1	Very low	241 Å²	241	137.5 Å²	137.5	100%	1.187	83%	0.829	S	S	*	*				0	91	0	-65.8	-178	171.3	0	0	106.9
2	A	37.5	Very low	38	Very low	94 Å²	94	133.3 Å²	133.3	78%	0.777	82%	0.82	S	S	*	*				69	91.8	107.9	0	0	0	0	0	111
3	A	34.1	Very low	37.7	Very low	83 Å²	83	136.6 Å²	136.6	69%	0.686	82%	0.82	S	S	*	*				60	101	78.7	0	0	0	0	0	113.4
4	Q	49.1	Very low	37.5	Very low	166 Å²	166	139.3 Å²	139.3	78%	0.776	83%	0.827	S	S	*	*				179	120.8	115.7	-107	131.1	91.9	0	0	112.7
5	Q	44.4	Very low	37.3	Very low	183 Å²	183	136 Å²	136	86%	0.855	82%	0.821	S	S	*	*			trans	-66.3	144.8	149.1	-62.2	161.9	4.1	0	0	108.6
6	R	41.1	Very low	37.1	Very low	225 Å²	225	130.7 Å²	130.7	85%	0.849	80%	0.803	S	S	*	*			trans	-147.8	114.6	143.7	-73.5	-158.3	174.9	-178.3	-1.7	110.9
7	D	38.8	Very low	37.1	Very low	156 Å²	156	130.4 Å²	130.4	83%	0.834	80%	0.803	S	S	*	*			trans	-59.2	136.3	152.8	-179.1	-84.5	0	0	0	110.6
8	C	36.1	Very low	37.2	Very low	118 Å²	118	128.4 Å²	128.4	80%	0.797	80%	0.803	S	S	*	*			trans	179.8	128.3	147.9	52.3	0	0	0	0	106.1
9	G	27.1	Very low	37.6	Very low	79 Å²	79	126.2 Å²	126.2	81%	0.814	80%	0.798	S	S	*	*			cis	130.2	139.1	27.8	0	0	0	0	0	106.1
10	G	31.2	Very low	37.9	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	80%	0.801	S	S	*	*			trans	116.9	80.4	162.9	0	0	0	0	0	114.8	A12	G10-A12 PolarHBondContact O-N 3Å
11	A	39.8	Very low	38.4	Very low	92 Å²	92	127.4 Å²	127.4	76%	0.76	80%	0.8	S	S	*	*			trans	-45.6	126.8	145.5	0	0	0	0	0	110.1
12	A	37	Very low	39.4	Very low	87 Å²	87	119.8 Å²	119.8	72%	0.719	76%	0.764	S	S	*	*			trans	-133.4	70.8	154.1	0	0	0	0	0	106.6	G10 L14	G10-A12 PolarHBondContact O-N 3Å; A12-L14 VanDerWaalsContact C-N 3.32Å; A12-L14 PolarHBondContact O-N 3.41Å
13	Q	33.3	Very low	40.4	Very low	176 Å²	176	118.9 Å²	118.9	82%	0.822	75%	0.75	S	S	*	*			trans	-50.7	107.9	150.3	-84.2	147.7	21.3	0	0	106.2	A15	Q13-A15 PolarHBondContact O-N 2.82Å
14	L	36.1	Very low	42.1	Very low	174 Å²	174	116.2 Å²	116.2	91%	0.911	72%	0.724	S	S	*	*			trans	-71.7	66.8	162.2	-70.7	166.3	0	0	0	107.2	A12 G16	A12-L14 VanDerWaalsContact C-N 3.32Å; A12-L14 PolarHBondContact O-N 3.41Å; L14-G16 PolarHBondContact O-N 3.04Å
15	A	33.4	Very low	43.3	Very low	90 Å²	90	110.3 Å²	110.3	74%	0.744	71%	0.707	S	S	*	*			trans	-68.8	86.7	153.5	0	0	0	0	0	105	Q13	Q13-A15 PolarHBondContact O-N 2.82Å
16	G	34.8	Very low	45.2	Very low	51 Å²	51	109.5 Å²	109.5	53%	0.526	70%	0.696	S	S	.	*			trans	-50.8	152.9	156.9	0	0	0	0	0	108.4	L14 A18	L14-G16 PolarHBondContact O-N 3.04Å; G16-A18 PolarHBondContact O-N 3.41Å
17	P	37.5	Very low	47.6	Very low	125 Å²	125	99 Å²	99	81%	0.812	66%	0.657	S	S	*	*			trans	-51.1	125.5	175.7	24.6	-32	0	0	0	106.2	A19	P17-A19 PolarHBondContact O-N 3.02Å
18	A	39.1	Very low	50.1	Low	96 Å²	96	93.6 Å²	93.6	79%	0.793	63%	0.63	S	S	*	*			trans	-57.9	84.2	165.9	0	0	0	0	0	105.8	G16 E20	G16-A18 PolarHBondContact O-N 3.41Å; A18-E20 PolarHBondContact O-N 3.08Å
19	A	44.7	Very low	52.8	Low	86 Å²	86	88 Å²	88	71%	0.711	59%	0.592	S	S	*	*			trans	-54.4	107.1	156.4	0	0	0	0	0	102.1	P17 A21	P17-A19 PolarHBondContact O-N 3.02Å; A19-A21 PolarHBondContact O-N 3.32Å
20	E	42.5	Very low	55.9	Low	184 Å²	184	87 Å²	87	86%	0.86	57%	0.571	S	S	*	*			trans	-36	116.7	178.6	-58.4	-150.2	93.3	0	0	107.1	A18 D22	A18-E20 PolarHBondContact O-N 3.08Å; E20-D22 PolarHBondContact O-N 3.2Å
21	A	48.1	Very low	58.8	Low	94 Å²	94	86.4 Å²	86.4	78%	0.777	55%	0.552	S	S	*	*			trans	-57	97.9	-174.7	0	0	0	0	0	106.1	A19 P23	A19-A21 PolarHBondContact O-N 3.32Å; A21-P23 VanDerWaalsContact O-CD 3.25Å; A21-P23 WeakPolarHBondContact O-CD 3.31Å
22	D	61.3	Low	61.3	Low	81 Å²	81	83.9 Å²	83.9	43%	0.433	53%	0.528	S	S	.	.			trans	-53.7	114.5	-174.2	167.1	-100.7	0	0	0	105	E20 L24 G25	E20-D22 PolarHBondContact O-N 3.2Å; D22-L24 PolarHBondContact O-N 3.17Å; D22-L24 WeakPolarHBondContact OD1-CA 3.42Å; D22-L24 WeakPolarHBondContact OD1-CB 3.44Å; D22-L24 PolarHBondContact OD1-N 3.39Å; D22-G25 PolarHBondContact O-N 2.88Å; D22-G25 PolarHBondContact OD1-N 2.98Å
23	P	59.9	Low	63.9	Low	74 Å²	74	86.1 Å²	86.1	48%	0.481	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.1	-170.1	20.6	-30.4	0	0	0	111.4	A21 R26	A21-P23 VanDerWaalsContact O-CD 3.25Å; A21-P23 WeakPolarHBondContact O-CD 3.31Å; P23-R26 PolarHBondContact O-NE 3.26Å
24	L	69.2	Low	66.6	Low	28 Å²	28	81.4 Å²	81.4	15%	0.147	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.2	178.5	-38.7	179.9	0	0	0	113.2	D22 R26 F27 T28 T89 L100	D22-L24 PolarHBondContact O-N 3.17Å; D22-L24 WeakPolarHBondContact OD1-CA 3.42Å; D22-L24 WeakPolarHBondContact OD1-CB 3.44Å; D22-L24 PolarHBondContact OD1-N 3.39Å; L24-R26 PolarHBondContact O-N 2.76Å; L24-F27 CarbonylContact O-C 3.47Å; L24-F27 WeakPolarHBondContact O-CA 3.4Å; L24-F27 PolarHBondContact O-N 3.3Å; L24-T28 PolarHBondContact O-N 3.03Å; L24-T89 VanDerWaalsContact CD1-OG1 3.23Å; L24-T89 WeakPolarHBondContact CD1-OG1 3.08Å; L24-L100 HydrophobicContact CD1-CD2 4.26Å; L24-L100 HydrophobicContact CD2-CD1 4.19Å; L24-L100 HydrophobicContact CD2-CD2 3.62Å; L24-L100 HydrophobicContact CD2-CG 4.38Å; L24-L100 HydrophobicContact CG-CD2 4.36Å
25	G	74.2	Confident	69.3	Low	41 Å²	41	73.9 Å²	73.9	42%	0.423	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-59.6	-21.3	179.6	0	0	0	0	0	114.1	D22 F27 T28	D22-G25 PolarHBondContact O-N 2.88Å; D22-G25 PolarHBondContact OD1-N 2.98Å; G25-F27 VanDerWaalsContact C-N 3.3Å; G25-T28 PolarHBondContact O-OG1 3.3Å
26	R	84.4	Confident	72.2	Confident	166 Å²	166	71.1 Å²	71.1	63%	0.626	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-76.6	-16.6	172.2	78.3	-173.9	90.3	163	-1.1	113.6	P23 L24	P23-R26 PolarHBondContact O-NE 3.26Å; L24-R26 PolarHBondContact O-N 2.76Å
27	F	90.3	Very high	74.9	Confident	4 Å²	4	73.8 Å²	73.8	2%	0.018	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-110.8	9.6	-177	-59.1	-65.4	0	0	0	112.8	L24 G25 V35 Y36 L80 Q83 I84 T87 L100	L24-F27 CarbonylContact O-C 3.47Å; L24-F27 WeakPolarHBondContact O-CA 3.4Å; L24-F27 PolarHBondContact O-N 3.3Å; G25-F27 VanDerWaalsContact C-N 3.3Å; F27-V35 VanDerWaalsContact O-CA 3.32Å; F27-V35 WeakPolarHBondContact O-CA 3.43Å; F27-Y36 VanDerWaalsContact C-CE2 3.46Å; F27-Y36 WeakPolarHBondContact O-CD2 3.33Å; F27-Y36 PolarHBondContact O-N 2.98Å; F27-L80 HydrophobicContact CD1-CD1 3.74Å; F27-L80 HydrophobicContact CE1-CD1 3.86Å; F27-Q83 HydrophobicContact CE1-CB 3.65Å; F27-Q83 HydrophobicContact CZ-CB 4.05Å; F27-I84 HydrophobicContact CB-CG1 4.25Å; F27-I84 HydrophobicContact CD1-CD1 4.39Å; F27-I84 HydrophobicContact CD1-CG1 3.59Å; F27-I84 HydrophobicContact CE1-CG1 4.26Å; F27-I84 HydrophobicContact CG-CG1 4.16Å; F27-T87 HydrophobicContact CE2-CG2 4.1Å; F27-L100 HydrophobicContact CB-CD1 3.97Å; F27-L100 HydrophobicContact CD2-CD1 3.36Å; F27-L100 HydrophobicContact CE2-CD1 3.94Å; F27-L100 HydrophobicContact CG-CD1 3.74Å
28	T	92.4	Very high	77.6	Confident	44 Å²	44	74.6 Å²	74.6	27%	0.27	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-98	139.4	178.5	51.6	0	0	0	0	111.7	L24 G25 E34 Y36	L24-T28 PolarHBondContact O-N 3.03Å; G25-T28 PolarHBondContact O-OG1 3.3Å; T28-E34 CarbonylContact C-O 3.52Å; T28-E34 WeakPolarHBondContact CA-O 3.24Å; T28-Y36 VanDerWaalsContact O-CE2 3.31Å; T28-Y36 WeakPolarHBondContact O-CE2 3.4Å; T28-Y36 PolarHBondContact O-OH 3.42Å
29	C	93.3	Very high	80.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.39	C	S	.	.			trans	-77.4	131.5	176.3	-179.9	0	0	0	0	110.7	V31 L33 E34 Y36 C49	C29-V31 PolarHBondContact O-N 3.2Å; C29-V31 VanDerWaalsContact O-N 3.09Å; C29-L33 WeakPolarHBondContact O-CA 3.46Å; C29-L33 PolarHBondContact O-N 2.93Å; C29-E34 PolarHBondContact N-O 3.47Å; C29-Y36 VanDerWaalsContact CA-CE1 3.41Å; C29-Y36 HydrophobicContact CB-CD1 3.69Å; C29-Y36 HydrophobicContact CB-CE1 3.66Å; C29-Y36 HydrophobicContact CB-CG 4.49Å; C29-C49 VanDerWaalsContact CB-SG 3.5Å; C29-C49 PolarHBondContact SG-N 3.36Å
30	P	91.8	Very high	82.7	Confident	57 Å²	57	66.7 Å²	66.7	37%	0.37	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9	-179.4	28.5	-37.3	0	0	0	114.2	F48 V66	P30-F48 HydrophobicContact CG-CD1 3.81Å; P30-F48 HydrophobicContact CG-CE1 3.55Å; P30-F48 HydrophobicContact CG-CZ 4.45Å; P30-V66 HydrophobicContact CB-CG2 3.99Å; P30-V66 HydrophobicContact CG-CG2 3.83Å
31	V	92.1	Very high	85.2	Confident	64 Å²	64	62 Å²	62	39%	0.388	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-54.6	-179.5	177.5	0	0	0	0	111.3	C29 F48 C52	C29-V31 PolarHBondContact O-N 3.2Å; C29-V31 VanDerWaalsContact O-N 3.09Å; V31-F48 HydrophobicContact CG2-CD1 3.64Å; V31-F48 HydrophobicContact CG2-CE1 3.88Å; V31-C52 HydrophobicContact CB-CB 3.86Å; V31-C52 HydrophobicContact CG1-CB 3.84Å; V31-C52 HydrophobicContact CG2-CB 4.32Å
32	C	92.3	Very high	87.5	Confident	39 Å²	39	57.7 Å²	57.7	26%	0.264	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.6	-179.5	68.1	0	0	0	0	113.8	E34	C32-E34 PolarHBondContact O-N 2.88Å; C32-E34 VanDerWaalsContact O-N 3.08Å
33	L	91	Very high	89	Confident	135 Å²	135	58.8 Å²	58.8	71%	0.707	31%	0.313	S	S	*	.			trans	58.4	17.4	-178	-50.6	-179.8	0	0	0	114.5	C29	C29-L33 WeakPolarHBondContact O-CA 3.46Å; C29-L33 PolarHBondContact O-N 2.93Å
34	E	90.7	Very high	90.6	Very high	77 Å²	77	57.1 Å²	57.1	36%	0.36	30%	0.303	S	S	.	.	S	Bend	trans	-108.7	169.1	175.2	-61.9	-172.4	94.9	0	0	110.7	T28 C29 C32 Y36 R104	T28-E34 CarbonylContact C-O 3.52Å; T28-E34 WeakPolarHBondContact CA-O 3.24Å; C29-E34 PolarHBondContact N-O 3.47Å; C32-E34 PolarHBondContact O-N 2.88Å; C32-E34 VanDerWaalsContact O-N 3.08Å; E34-Y36 PolarHBondContact O-N 3.3Å; E34-R104 VanDerWaalsContact CD-NE 3.28Å; E34-R104 IonicContact OE1-NE 3.9Å; E34-R104 PolarHBondContact OE1-NE 2.65Å; E34-R104 IonicContact OE2-CZ 3.55Å; E34-R104 IonicContact OE2-NE 3.41Å; E34-R104 PolarHBondContact OE2-NE 3.08Å; E34-R104 IonicContact OE2-NH2 2.82Å; E34-R104 PolarHBondContact OE2-NH2 3.15Å
35	V	91.9	Very high	91.7	Very high	16 Å²	16	57.8 Å²	57.8	10%	0.097	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-54.3	136.3	172.4	179.7	0	0	0	0	110.5	F27 E37 I84 L100 I103 R104	F27-V35 VanDerWaalsContact O-CA 3.32Å; F27-V35 WeakPolarHBondContact O-CA 3.43Å; V35-E37 PolarHBondContact O-N 3.08Å; V35-I84 HydrophobicContact CG1-CG2 3.99Å; V35-L100 HydrophobicContact CG1-CB 4.1Å; V35-L100 HydrophobicContact CG2-CD2 4.13Å; V35-I103 HydrophobicContact CG2-CG2 3.87Å; V35-R104 PolarHBondContact O-NH1 3.39Å
36	Y	93.9	Very high	92.7	Very high	31 Å²	31	58.6 Å²	58.6	12%	0.122	31%	0.31	C	S	.	.			trans	-53.6	131.6	-179.4	-70.1	-74.1	0	0	0	112.5	F27 T28 C29 E34 P39 V47 L80 I84	F27-Y36 VanDerWaalsContact C-CE2 3.46Å; F27-Y36 WeakPolarHBondContact O-CD2 3.33Å; F27-Y36 PolarHBondContact O-N 2.98Å; T28-Y36 VanDerWaalsContact O-CE2 3.31Å; T28-Y36 WeakPolarHBondContact O-CE2 3.4Å; T28-Y36 PolarHBondContact O-OH 3.42Å; C29-Y36 VanDerWaalsContact CA-CE1 3.41Å; C29-Y36 HydrophobicContact CB-CD1 3.69Å; C29-Y36 HydrophobicContact CB-CE1 3.66Å; C29-Y36 HydrophobicContact CB-CG 4.49Å; E34-Y36 PolarHBondContact O-N 3.3Å; Y36-P39 HydrophobicContact CD1-CB 4.17Å; Y36-P39 HydrophobicContact CG-CB 4.08Å; Y36-V47 HydrophobicContact CD1-CG1 4.17Å; Y36-V47 HydrophobicContact CE1-CB 4.1Å; Y36-V47 HydrophobicContact CE1-CG1 3.84Å; Y36-V47 WeakPolarHBondContact CE1-O 3.22Å; Y36-V47 PolarHBondContact OH-O 3.04Å; Y36-L80 HydrophobicContact CD2-CD2 3.71Å; Y36-L80 HydrophobicContact CE2-CD2 3.86Å; Y36-L80 HydrophobicContact CG-CD2 4.29Å; Y36-I84 HydrophobicContact CD2-CD1 4.28Å; Y36-I84 HydrophobicContact CG-CD1 4.49Å
37	E	92.3	Very high	93.2	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	29%	0.287	S	S	.	.	S	Bend	trans	-112.6	117.7	167.7	-176.6	178.6	83.9	0	0	108.8	V35 C49 S50 R104	V35-E37 PolarHBondContact O-N 3.08Å; E37-C49 PolarHBondContact N-SG 3.46Å; E37-C49 WeakPolarHBondContact O-CA 3.36Å; E37-C49 WeakPolarHBondContact O-CB 3.4Å; E37-S50 PolarHBondContact O-N 3.42Å; E37-R104 VanDerWaalsContact CB-NH1 3.34Å
38	K	93.4	Very high	93.5	Very high	141 Å²	141	51.7 Å²	51.7	61%	0.613	29%	0.286	S	S	*	.	S	Bend	trans	48.8	64.8	-174.2	-60.4	173.1	-176.2	169.9	0	111	V40 S50	K38-V40 PolarHBondContact O-N 3.43Å; K38-S50 WeakPolarHBondContact O-CB 3.31Å; K38-S50 PolarHBondContact O-N 3.2Å
39	P	95.1	Very high	93.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	133.7	-177.2	25.7	-35.6	0	0	0	112.2	Y36 V47 F48 A77 L80 E81	Y36-P39 HydrophobicContact CD1-CB 4.17Å; Y36-P39 HydrophobicContact CG-CB 4.08Å; P39-V47 HydrophobicContact CB-CG1 3.5Å; P39-V47 VanDerWaalsContact CB-CG1 3.5Å; P39-F48 CarbonylContact C-O 3.57Å; P39-F48 WeakPolarHBondContact CA-O 3.35Å; P39-A77 HydrophobicContact CB-CB 4.15Å; P39-A77 HydrophobicContact CG-CB 4.34Å; P39-A77 PolarHBondContact O-N 3.27Å; P39-L80 HydrophobicContact CB-CD2 3.84Å; P39-L80 HydrophobicContact CG-CB 4.33Å; P39-L80 HydrophobicContact CG-CD2 4.21Å; P39-L80 HydrophobicContact CG-CG 4.43Å; P39-E81 VanDerWaalsContact CD-CG 3.42Å; P39-E81 HydrophobicContact CG-CG 3.42Å; P39-E81 VanDerWaalsContact CG-CG 3.42Å
40	V	96.2	Very high	93.7	Very high	14 Å²	14	51.9 Å²	51.9	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.5	177.4	-176.7	0	0	0	0	108.4	K38 V47 F48 L53 V75	K38-V40 PolarHBondContact O-N 3.43Å; V40-V47 WeakPolarHBondContact O-CA 3.33Å; V40-F48 PolarHBondContact N-O 3.24Å; V40-F48 PolarHBondContact O-N 2.68Å; V40-L53 HydrophobicContact CB-CD2 3.88Å; V40-L53 HydrophobicContact CG1-CD2 3.51Å; V40-V75 CarbonylContact C-O 3.49Å; V40-V75 WeakPolarHBondContact CA-O 3.43Å; V40-V75 WeakPolarHBondContact CG1-O 3.49Å
41	Q	96.1	Very high	93.8	Very high	85 Å²	85	52 Å²	52	40%	0.397	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.2	174.2	-173.9	172.9	48.9	0	0	109.9	G45 H46 V47 G74 V75 A77	Q41-G45 PolarHBondContact NE2-O 3.4Å; Q41-H46 WeakPolarHBondContact CA-O 3.34Å; Q41-V47 HydrophobicContact CB-CG2 4.13Å; Q41-V47 HydrophobicContact CG-CG2 4.22Å; Q41-G74 CarbonylContact O-C 3.45Å; Q41-G74 WeakPolarHBondContact O-CA 3.44Å; Q41-V75 HydrophobicContact CB-CG2 4.49Å; Q41-V75 PolarHBondContact N-O 3.12Å; Q41-V75 PolarHBondContact O-N 2.97Å; Q41-A77 HydrophobicContact CB-CB 4.31Å
42	V	95.3	Very high	94	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	28%	0.281	C	S	.	.			trans	-87.3	163.7	177.2	-65.1	0	0	0	0	111.1	C44 G45 H46 F48 L53 L71	V42-C44 WeakPolarHBondContact CG2-SG 3.48Å; V42-C44 PolarHBondContact O-N 3.06Å; V42-G45 PolarHBondContact O-N 2.81Å; V42-H46 HydrophobicContact CG2-CB 4.12Å; V42-H46 WeakPolarHBondContact CG2-O 3.2Å; V42-H46 PolarHBondContact N-O 3.31Å; V42-F48 HydrophobicContact CG1-CD2 4.02Å; V42-F48 HydrophobicContact CG1-CE2 4.29Å; V42-F48 HydrophobicContact CG2-CD2 4.11Å; V42-F48 HydrophobicContact CG2-CE2 3.68Å; V42-L53 HydrophobicContact CG1-CD1 3.56Å; V42-L53 HydrophobicContact CG1-CD2 3.87Å; V42-L53 HydrophobicContact CG1-CG 4.39Å; V42-L71 HydrophobicContact CB-CD1 4.15Å; V42-L71 HydrophobicContact CG1-CD1 3.85Å; V42-L71 HydrophobicContact CG2-CD1 4.18Å
43	P	93.7	Very high	94.1	Very high	104 Å²	104	47.9 Å²	47.9	68%	0.675	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	-175.1	-28.3	36.7	0	0	0	115.3	G45 A72	P43-G45 PolarHBondContact O-N 2.77Å; P43-A72 HydrophobicContact CG-CB 4.2Å
44	C	93.9	Very high	94.3	Very high	40 Å²	40	46.8 Å²	46.8	27%	0.27	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	6.6	174.4	66.5	0	0	0	0	114.1	V42 H46	V42-C44 WeakPolarHBondContact CG2-SG 3.48Å; V42-C44 PolarHBondContact O-N 3.06Å; C44-H46 VanDerWaalsContact C-N 3.34Å; C44-H46 PolarHBondContact O-N 3.45Å; C44-H46 PolarHBondContact O-ND1 2.96Å; C44-H46 PolarHBondContact SG-ND1 3.49Å
45	G	92.3	Very high	94.4	Very high	42 Å²	42	48.4 Å²	48.4	43%	0.433	27%	0.268	S	S	.	.	S	Bend	trans	87.3	-10.7	175.2	0	0	0	0	0	115.6	Q41 V42 P43	Q41-G45 PolarHBondContact NE2-O 3.4Å; V42-G45 PolarHBondContact O-N 2.81Å; P43-G45 PolarHBondContact O-N 2.77Å
46	H	94.4	Very high	94.4	Very high	58 Å²	58	49.1 Å²	49.1	27%	0.269	27%	0.273	S	S	.	.			trans	-78.5	154.6	179	-64.9	91.4	0	0	0	112.1	Q41 V42 C44 F48 V66 C67	Q41-H46 WeakPolarHBondContact CA-O 3.34Å; V42-H46 HydrophobicContact CG2-CB 4.12Å; V42-H46 WeakPolarHBondContact CG2-O 3.2Å; V42-H46 PolarHBondContact N-O 3.31Å; C44-H46 VanDerWaalsContact C-N 3.34Å; C44-H46 PolarHBondContact O-N 3.45Å; C44-H46 PolarHBondContact O-ND1 2.96Å; C44-H46 PolarHBondContact SG-ND1 3.49Å; H46-F48 HydrophobicContact CB-CE2 3.76Å; H46-F48 HydrophobicContact CB-CZ 4.01Å; H46-V66 VanDerWaalsContact CD2-CB 3.49Å; H46-V66 WeakPolarHBondContact CD2-CB 3.45Å; H46-V66 VanDerWaalsContact CD2-CG1 3.43Å; H46-V66 WeakPolarHBondContact CD2-CG1 3.44Å; H46-V66 VanDerWaalsContact NE2-CG1 3.26Å; H46-V66 WeakPolarHBondContact NE2-CG1 3.35Å; H46-C67 VanDerWaalsContact CE1-SG 3.54Å; H46-C67 PolarHBondContact ND1-SG 3.03Å
47	V	95.3	Very high	94.4	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.2	-177.6	-172.3	0	0	0	0	110.4	Y36 P39 V40 Q41 A77 L80	Y36-V47 HydrophobicContact CD1-CG1 4.17Å; Y36-V47 HydrophobicContact CE1-CB 4.1Å; Y36-V47 HydrophobicContact CE1-CG1 3.84Å; Y36-V47 WeakPolarHBondContact CE1-O 3.22Å; Y36-V47 PolarHBondContact OH-O 3.04Å; P39-V47 HydrophobicContact CB-CG1 3.5Å; P39-V47 VanDerWaalsContact CB-CG1 3.5Å; V40-V47 WeakPolarHBondContact O-CA 3.33Å; Q41-V47 HydrophobicContact CB-CG2 4.13Å; Q41-V47 HydrophobicContact CG-CG2 4.22Å; V47-A77 HydrophobicContact CG1-CB 4.33Å; V47-L80 HydrophobicContact CB-CD2 4.3Å; V47-L80 HydrophobicContact CG1-CD2 3.69Å; V47-L80 HydrophobicContact CG2-CD2 4.42Å
48	F	95.6	Very high	94.4	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.8	-179.7	-59	-82.8	0	0	0	110.2	P30 V31 P39 V40 V42 H46 L53 V66	P30-F48 HydrophobicContact CG-CD1 3.81Å; P30-F48 HydrophobicContact CG-CE1 3.55Å; P30-F48 HydrophobicContact CG-CZ 4.45Å; V31-F48 HydrophobicContact CG2-CD1 3.64Å; V31-F48 HydrophobicContact CG2-CE1 3.88Å; P39-F48 CarbonylContact C-O 3.57Å; P39-F48 WeakPolarHBondContact CA-O 3.35Å; V40-F48 PolarHBondContact N-O 3.24Å; V40-F48 PolarHBondContact O-N 2.68Å; V42-F48 HydrophobicContact CG1-CD2 4.02Å; V42-F48 HydrophobicContact CG1-CE2 4.29Å; V42-F48 HydrophobicContact CG2-CD2 4.11Å; V42-F48 HydrophobicContact CG2-CE2 3.68Å; H46-F48 HydrophobicContact CB-CE2 3.76Å; H46-F48 HydrophobicContact CB-CZ 4.01Å; F48-L53 HydrophobicContact CB-CB 4.14Å; F48-L53 HydrophobicContact CD2-CD1 4.44Å; F48-V66 HydrophobicContact CE1-CG2 4.27Å; F48-V66 HydrophobicContact CZ-CG2 4.09Å
49	C	95.7	Very high	94.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.8	164.9	-60.6	0	0	0	0	109.6	C29 E37 A51 C52 L53	C29-C49 VanDerWaalsContact CB-SG 3.5Å; C29-C49 PolarHBondContact SG-N 3.36Å; E37-C49 PolarHBondContact N-SG 3.46Å; E37-C49 WeakPolarHBondContact O-CA 3.36Å; E37-C49 WeakPolarHBondContact O-CB 3.4Å; C49-A51 VanDerWaalsContact C-N 3.26Å; C49-A51 PolarHBondContact O-N 2.84Å; C49-C52 HydrophobicContact CB-CB 4.02Å; C49-C52 PolarHBondContact O-N 3.48Å; C49-C52 VanDerWaalsContact O-N 3.13Å; C49-L53 PolarHBondContact O-N 3.01Å
50	S	95	Very high	93.9	Very high	45 Å²	45	58.7 Å²	58.7	32%	0.315	32%	0.323	S	S	.	.	H	α-helix	trans	-53.4	-44.3	177.4	-178.8	0	0	0	0	112	E37 K38 Q54	E37-S50 PolarHBondContact O-N 3.42Å; K38-S50 WeakPolarHBondContact O-CB 3.31Å; K38-S50 PolarHBondContact O-N 3.2Å; S50-Q54 WeakPolarHBondContact O-CG 3.41Å; S50-Q54 PolarHBondContact O-N 2.8Å
51	A	94.8	Very high	93.7	Very high	61 Å²	61	66.9 Å²	66.9	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-47.7	178.1	0	0	0	0	0	111.8	C49 L53 Q54 E55	C49-A51 VanDerWaalsContact C-N 3.26Å; C49-A51 PolarHBondContact O-N 2.84Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.32Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.16Å; A51-E55 WeakPolarHBondContact O-CG 3.03Å; A51-E55 PolarHBondContact O-N 2.99Å
52	C	95.3	Very high	93.4	Very high	12 Å²	12	64.4 Å²	64.4	8%	0.081	35%	0.349	C	S	.	.	H	α-helix	trans	-60.1	-41.6	178.6	-63.2	0	0	0	0	112.2	V31 C49 Q54 E55 C56	V31-C52 HydrophobicContact CB-CB 3.86Å; V31-C52 HydrophobicContact CG1-CB 3.84Å; V31-C52 HydrophobicContact CG2-CB 4.32Å; C49-C52 HydrophobicContact CB-CB 4.02Å; C49-C52 PolarHBondContact O-N 3.48Å; C49-C52 VanDerWaalsContact O-N 3.13Å; C52-Q54 VanDerWaalsContact C-N 3.34Å; C52-Q54 PolarHBondContact O-N 3.46Å; C52-E55 PolarHBondContact O-N 3.43Å; C52-C56 PolarHBondContact O-N 2.95Å; C52-C56 VanDerWaalsContact O-N 3.07Å; C52-C56 PolarHBondContact O-SG 2.77Å
53	L	94.8	Very high	93.4	Very high	3 Å²	3	68 Å²	68	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-42.3	176.8	179.6	59.6	0	0	0	111.6	V40 V42 F48 C49 A51 E55 C56 L57 L71	V40-L53 HydrophobicContact CB-CD2 3.88Å; V40-L53 HydrophobicContact CG1-CD2 3.51Å; V42-L53 HydrophobicContact CG1-CD1 3.56Å; V42-L53 HydrophobicContact CG1-CD2 3.87Å; V42-L53 HydrophobicContact CG1-CG 4.39Å; F48-L53 HydrophobicContact CB-CB 4.14Å; F48-L53 HydrophobicContact CD2-CD1 4.44Å; C49-L53 PolarHBondContact O-N 3.01Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 3.32Å; L53-E55 PolarHBondContact O-N 2.95Å; L53-C56 PolarHBondContact O-N 3.32Å; L53-L57 HydrophobicContact CD1-CD1 4.26Å; L53-L57 HydrophobicContact CD1-CG 4.27Å; L53-L57 HydrophobicContact CG-CD1 4.01Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 2.94Å; L53-L71 HydrophobicContact CD1-CD1 4.07Å; L53-L71 HydrophobicContact CD1-CD2 3.93Å; L53-L71 HydrophobicContact CD1-CG 4.1Å
54	Q	94.2	Very high	93.4	Very high	112 Å²	112	63.1 Å²	63.1	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-38.5	176.8	-69.6	-59.9	-61	0	0	111.5	S50 A51 C52 L57 K58	S50-Q54 WeakPolarHBondContact O-CG 3.41Å; S50-Q54 PolarHBondContact O-N 2.8Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.16Å; C52-Q54 VanDerWaalsContact C-N 3.34Å; C52-Q54 PolarHBondContact O-N 3.46Å; Q54-L57 PolarHBondContact O-N 2.79Å; Q54-K58 PolarHBondContact O-N 3.18Å
55	E	93.5	Very high	93.1	Very high	111 Å²	111	64.2 Å²	64.2	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-67.5	-41.4	176.4	-54.8	-146.1	86.3	0	0	112.7	A51 C52 L53 L57 K58	A51-E55 WeakPolarHBondContact O-CG 3.03Å; A51-E55 PolarHBondContact O-N 2.99Å; C52-E55 PolarHBondContact O-N 3.43Å; L53-E55 PolarHBondContact O-N 2.95Å; E55-L57 PolarHBondContact O-N 3.07Å; E55-K58 WeakPolarHBondContact O-CB 3.32Å; E55-K58 PolarHBondContact O-N 3.33Å; E55-K58 IonicContact OE1-NZ 3.84Å; E55-K58 PolarHBondContact OE1-NZ 3.19Å
56	C	92	Very high	93.1	Very high	32 Å²	32	65.7 Å²	65.7	22%	0.216	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-20.2	176.1	-62.9	0	0	0	0	113.5	C52 L53 P59 P62 L71	C52-C56 PolarHBondContact O-N 2.95Å; C52-C56 VanDerWaalsContact O-N 3.07Å; C52-C56 PolarHBondContact O-SG 2.77Å; L53-C56 PolarHBondContact O-N 3.32Å; C56-P59 WeakPolarHBondContact O-CD 3.47Å; C56-P62 VanDerWaalsContact O-CB 3.24Å; C56-P62 WeakPolarHBondContact O-CB 3.31Å; C56-L71 HydrophobicContact CB-CD2 3.46Å; C56-L71 VanDerWaalsContact CB-CD2 3.46Å
57	L	92.9	Very high	93.1	Very high	40 Å²	40	65.4 Å²	65.4	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-88.1	-12.4	177.4	-70	170.2	0	0	0	113.8	L53 Q54 E55 P59 P62 L71 P73	L53-L57 HydrophobicContact CD1-CD1 4.26Å; L53-L57 HydrophobicContact CD1-CG 4.27Å; L53-L57 HydrophobicContact CG-CD1 4.01Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 2.94Å; Q54-L57 PolarHBondContact O-N 2.79Å; E55-L57 PolarHBondContact O-N 3.07Å; L57-P59 VanDerWaalsContact C-CD 3.48Å; L57-P62 HydrophobicContact CD2-CB 4.14Å; L57-P62 HydrophobicContact CD2-CG 4.21Å; L57-L71 HydrophobicContact CD2-CB 4.3Å; L57-L71 HydrophobicContact CD2-CD2 3.97Å; L57-L71 HydrophobicContact CD2-CG 3.88Å; L57-L71 HydrophobicContact CG-CD2 4.25Å; L57-P73 HydrophobicContact CD1-CG 4.4Å
58	K	92.5	Very high	92.9	Very high	150 Å²	150	74.3 Å²	74.3	65%	0.652	39%	0.392	S	S	*	.	S	Bend	trans	-61.5	-38.9	178.6	-65.8	171.7	-176.4	168.6	0	114.6	Q54 E55	Q54-K58 PolarHBondContact O-N 3.18Å; E55-K58 WeakPolarHBondContact O-CB 3.32Å; E55-K58 PolarHBondContact O-N 3.33Å; E55-K58 IonicContact OE1-NZ 3.84Å; E55-K58 PolarHBondContact OE1-NZ 3.19Å
59	P	91.6	Very high	92.8	Very high	74 Å²	74	77 Å²	77	48%	0.481	41%	0.411	S	S	.	.	S	Bend	trans	-66	152.3	-178.9	-21.5	34.2	0	0	0	113.3	C56 L57 K61 P62	C56-P59 WeakPolarHBondContact O-CD 3.47Å; L57-P59 VanDerWaalsContact C-CD 3.48Å; P59-K61 PolarHBondContact O-N 3.47Å; P59-K61 VanDerWaalsContact O-N 3.1Å; P59-P62 WeakPolarHBondContact O-CD 3.32Å
60	K	87.8	Confident	92.6	Very high	219 Å²	219	81.3 Å²	81.3	95%	0.952	45%	0.447	S	S	*	.	S	Bend	trans	-56.6	-29.1	179.6	-67	-176.3	-179.9	179.1	0	114.3
61	K	90.8	Very high	92.5	Very high	185 Å²	185	79.8 Å²	79.8	80%	0.804	44%	0.435	S	S	*	.	S	Bend	trans	-128.9	84.9	176.9	-68.5	-177	-179.7	179.1	0	108.1	P59	P59-K61 PolarHBondContact O-N 3.47Å; P59-K61 VanDerWaalsContact O-N 3.1Å
62	P	91.3	Very high	92.3	Very high	34 Å²	34	78.7 Å²	78.7	22%	0.221	43%	0.426	C	S	.	.			trans	-75.9	136	-174.8	34.5	-37.4	0	0	0	109.8	C56 L57 P59 L71	C56-P62 VanDerWaalsContact O-CB 3.24Å; C56-P62 WeakPolarHBondContact O-CB 3.31Å; L57-P62 HydrophobicContact CD2-CB 4.14Å; L57-P62 HydrophobicContact CD2-CG 4.21Å; P59-P62 WeakPolarHBondContact O-CD 3.32Å; P62-L71 HydrophobicContact CB-CB 3.95Å; P62-L71 HydrophobicContact CB-CD2 4.32Å; P62-L71 HydrophobicContact CG-CB 4.34Å; P62-L71 WeakPolarHBondContact O-CB 3.26Å; P62-L71 PolarHBondContact O-N 3.2Å
63	V	94.1	Very high	92	Very high	79 Å²	79	83 Å²	83	48%	0.479	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-130.3	148.3	-178.2	-65.8	0	0	0	0	110.3	G65 S69	V63-G65 PolarHBondContact O-N 3.38Å; V63-S69 WeakPolarHBondContact CA-O 3.43Å
64	C	93.3	Very high	91.8	Very high	1 Å²	1	84.1 Å²	84.1	1%	0.007	47%	0.466	C	S	.	.			trans	-64	128.4	176.3	179	0	0	0	0	110.8	V66 C67 R68 S69 L71	C64-V66 PolarHBondContact O-N 3.16Å; C64-V66 VanDerWaalsContact O-N 3.08Å; C64-V66 PolarHBondContact SG-N 2.89Å; C64-C67 PolarHBondContact SG-SG 3.24Å; C64-R68 VanDerWaalsContact O-CA 3.22Å; C64-R68 WeakPolarHBondContact O-CA 3.34Å; C64-R68 PolarHBondContact O-N 3.13Å; C64-S69 PolarHBondContact N-O 3.31Å; C64-L71 HydrophobicContact CB-CD1 4.19Å
65	G	88.4	Confident	91.8	Very high	63 Å²	63	83.6 Å²	83.6	65%	0.649	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.5	177.8	0	0	0	0	0	115	V63	V63-G65 PolarHBondContact O-N 3.38Å
66	V	92.3	Very high	91.9	Very high	73 Å²	73	86.2 Å²	86.2	44%	0.442	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-55.2	-179.1	-171.6	0	0	0	0	111.8	P30 H46 F48 C64	P30-V66 HydrophobicContact CB-CG2 3.99Å; P30-V66 HydrophobicContact CG-CG2 3.83Å; H46-V66 VanDerWaalsContact CD2-CB 3.49Å; H46-V66 WeakPolarHBondContact CD2-CB 3.45Å; H46-V66 VanDerWaalsContact CD2-CG1 3.43Å; H46-V66 WeakPolarHBondContact CD2-CG1 3.44Å; H46-V66 VanDerWaalsContact NE2-CG1 3.26Å; H46-V66 WeakPolarHBondContact NE2-CG1 3.35Å; F48-V66 HydrophobicContact CE1-CG2 4.27Å; F48-V66 HydrophobicContact CZ-CG2 4.09Å; C64-V66 PolarHBondContact O-N 3.16Å; C64-V66 VanDerWaalsContact O-N 3.08Å; C64-V66 PolarHBondContact SG-N 2.89Å
67	C	93.4	Very high	91.9	Very high	52 Å²	52	85.4 Å²	85.4	35%	0.351	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-2.7	-173.8	61.7	0	0	0	0	114.7	H46 C64 S69	H46-C67 VanDerWaalsContact CE1-SG 3.54Å; H46-C67 PolarHBondContact ND1-SG 3.03Å; C64-C67 PolarHBondContact SG-SG 3.24Å; C67-S69 PolarHBondContact O-N 3.29Å; C67-S69 PolarHBondContact SG-OG 3.35Å
68	R	92.3	Very high	92	Very high	212 Å²	212	87.9 Å²	87.9	80%	0.8	49%	0.488	S	S	*	.			trans	62.9	4	-178.9	-51.5	178.1	-179.8	-132.8	-0.7	116	C64	C64-R68 VanDerWaalsContact O-CA 3.22Å; C64-R68 WeakPolarHBondContact O-CA 3.34Å; C64-R68 PolarHBondContact O-N 3.13Å
69	S	92.8	Very high	92	Very high	58 Å²	58	85.3 Å²	85.3	41%	0.406	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59.7	155	170.5	-57.9	0	0	0	0	111.9	V63 C64 C67 L71	V63-S69 WeakPolarHBondContact CA-O 3.43Å; C64-S69 PolarHBondContact N-O 3.31Å; C67-S69 PolarHBondContact O-N 3.29Å; C67-S69 PolarHBondContact SG-OG 3.35Å; S69-L71 PolarHBondContact O-N 3.21Å
70	A	91.8	Very high	92	Very high	91 Å²	91	83.2 Å²	83.2	75%	0.752	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-53.2	129.7	175.9	0	0	0	0	0	110.8
71	L	92.6	Very high	92.2	Very high	14 Å²	14	74.1 Å²	74.1	7%	0.073	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-96.8	135.5	-174.7	-164.5	66.5	0	0	0	110.2	V42 L53 C56 L57 P62 C64 S69	V42-L71 HydrophobicContact CB-CD1 4.15Å; V42-L71 HydrophobicContact CG1-CD1 3.85Å; V42-L71 HydrophobicContact CG2-CD1 4.18Å; L53-L71 HydrophobicContact CD1-CD1 4.07Å; L53-L71 HydrophobicContact CD1-CD2 3.93Å; L53-L71 HydrophobicContact CD1-CG 4.1Å; C56-L71 HydrophobicContact CB-CD2 3.46Å; C56-L71 VanDerWaalsContact CB-CD2 3.46Å; L57-L71 HydrophobicContact CD2-CB 4.3Å; L57-L71 HydrophobicContact CD2-CD2 3.97Å; L57-L71 HydrophobicContact CD2-CG 3.88Å; L57-L71 HydrophobicContact CG-CD2 4.25Å; P62-L71 HydrophobicContact CB-CB 3.95Å; P62-L71 HydrophobicContact CB-CD2 4.32Å; P62-L71 HydrophobicContact CG-CB 4.34Å; P62-L71 WeakPolarHBondContact O-CB 3.26Å; P62-L71 PolarHBondContact O-N 3.2Å; C64-L71 HydrophobicContact CB-CD1 4.19Å; S69-L71 PolarHBondContact O-N 3.21Å
72	A	90	Very high	92.3	Very high	38 Å²	38	71.6 Å²	71.6	31%	0.314	41%	0.409	S	S	.	.			trans	-133.9	162.6	174.5	0	0	0	0	0	109.4	P43 G74	P43-A72 HydrophobicContact CG-CB 4.2Å; A72-G74 PolarHBondContact O-N 2.92Å
73	P	89.2	Confident	92.4	Very high	103 Å²	103	73.2 Å²	73.2	67%	0.669	41%	0.414	S	S	*	.			trans	-52.7	131.1	171.2	-24.5	34.5	0	0	0	110.5	L57	L57-P73 HydrophobicContact CD1-CG 4.4Å
74	G	90.5	Very high	92.3	Very high	26 Å²	26	69.9 Å²	69.9	27%	0.268	39%	0.393	S	S	.	.			trans	-97.6	-178	-178.9	0	0	0	0	0	113.2	Q41 A72	Q41-G74 CarbonylContact O-C 3.45Å; Q41-G74 WeakPolarHBondContact O-CA 3.44Å; A72-G74 PolarHBondContact O-N 2.92Å
75	V	94.6	Very high	92.1	Very high	101 Å²	101	75.7 Å²	75.7	61%	0.612	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	150.6	174.8	-64.4	0	0	0	0	110.5	V40 Q41 A77	V40-V75 CarbonylContact C-O 3.49Å; V40-V75 WeakPolarHBondContact CA-O 3.43Å; V40-V75 WeakPolarHBondContact CG1-O 3.49Å; Q41-V75 HydrophobicContact CB-CG2 4.49Å; Q41-V75 PolarHBondContact N-O 3.12Å; Q41-V75 PolarHBondContact O-N 2.97Å; V75-A77 PolarHBondContact O-N 3.3Å
76	R	95	Very high	92.2	Very high	165 Å²	165	76.1 Å²	76.1	62%	0.623	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.8	177	-71.3	-178.9	60	-153.7	-5.6	110.8	V78 E81	R76-V78 HydrophobicContact CB-CG2 4.44Å; R76-V78 PolarHBondContact O-N 3.49Å; R76-E81 IonicContact CZ-OE2 2.94Å; R76-E81 IonicContact NE-OE1 3.35Å; R76-E81 IonicContact NE-OE2 2.83Å; R76-E81 IonicContact NH2-OE1 3.58Å; R76-E81 IonicContact NH2-OE2 3.43Å; R76-E81 PolarHBondContact NH2-OE2 3.21Å
77	A	93.7	Very high	92.1	Very high	15 Å²	15	74.4 Å²	74.4	12%	0.124	40%	0.403	C	S	.	.			trans	-89.2	73	180	0	0	0	0	0	110.8	P39 Q41 V47 V75 E79 L80 E81	P39-A77 HydrophobicContact CB-CB 4.15Å; P39-A77 HydrophobicContact CG-CB 4.34Å; P39-A77 PolarHBondContact O-N 3.27Å; Q41-A77 HydrophobicContact CB-CB 4.31Å; V47-A77 HydrophobicContact CG1-CB 4.33Å; V75-A77 PolarHBondContact O-N 3.3Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 2.92Å; A77-L80 HydrophobicContact CB-CB 4.07Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 PolarHBondContact O-N 3.08Å; A77-L80 VanDerWaalsContact O-N 3.08Å; A77-E81 PolarHBondContact O-N 2.91Å
78	V	93.8	Very high	92	Very high	93 Å²	93	77.8 Å²	77.8	56%	0.564	41%	0.413	S	S	*	.	H	α-helix	trans	-60.1	-38.3	-171.9	-177	0	0	0	0	113.1	R76 L80 E81 R82	R76-V78 HydrophobicContact CB-CG2 4.44Å; R76-V78 PolarHBondContact O-N 3.49Å; V78-L80 VanDerWaalsContact C-N 3.3Å; V78-L80 PolarHBondContact O-N 3.01Å; V78-E81 WeakPolarHBondContact O-CB 3.17Å; V78-E81 PolarHBondContact O-N 3.05Å; V78-R82 PolarHBondContact O-N 3.1Å
79	E	92.5	Very high	91.8	Very high	96 Å²	96	68.4 Å²	68.4	45%	0.449	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-35.4	177.9	179.5	52.7	-154	0	0	111.7	A77 R82 Q83	A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 2.92Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.76Å; E79-R82 IonicContact OE1-NE 3.55Å; E79-R82 PolarHBondContact OE1-NE 2.89Å; E79-R82 IonicContact OE1-NH2 3.98Å; E79-R82 PolarHBondContact OE1-NH2 2.86Å; E79-R82 IonicContact OE2-CZ 3.8Å; E79-R82 IonicContact OE2-NE 2.68Å; E79-R82 PolarHBondContact OE2-NE 3.46Å; E79-R82 IonicContact OE2-NH2 3.13Å; E79-Q83 VanDerWaalsContact O-CG 3.31Å; E79-Q83 WeakPolarHBondContact O-CG 3.25Å; E79-Q83 PolarHBondContact O-N 2.89Å; E79-Q83 PolarHBondContact OE1-NE2 3.41Å
80	L	92.2	Very high	91.7	Very high	29 Å²	29	68.3 Å²	68.3	15%	0.152	38%	0.379	C	S	.	.	H	α-helix	trans	-69.1	-39.5	175	-169.5	67	0	0	0	111.3	F27 Y36 P39 V47 A77 V78 R82 Q83 I84	F27-L80 HydrophobicContact CD1-CD1 3.74Å; F27-L80 HydrophobicContact CE1-CD1 3.86Å; Y36-L80 HydrophobicContact CD2-CD2 3.71Å; Y36-L80 HydrophobicContact CE2-CD2 3.86Å; Y36-L80 HydrophobicContact CG-CD2 4.29Å; P39-L80 HydrophobicContact CB-CD2 3.84Å; P39-L80 HydrophobicContact CG-CB 4.33Å; P39-L80 HydrophobicContact CG-CD2 4.21Å; P39-L80 HydrophobicContact CG-CG 4.43Å; V47-L80 HydrophobicContact CB-CD2 4.3Å; V47-L80 HydrophobicContact CG1-CD2 3.69Å; V47-L80 HydrophobicContact CG2-CD2 4.42Å; A77-L80 HydrophobicContact CB-CB 4.07Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 PolarHBondContact O-N 3.08Å; A77-L80 VanDerWaalsContact O-N 3.08Å; V78-L80 VanDerWaalsContact C-N 3.3Å; V78-L80 PolarHBondContact O-N 3.01Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.39Å; L80-Q83 PolarHBondContact O-N 3.07Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 WeakPolarHBondContact O-CD1 3.34Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.22Å; L80-I84 PolarHBondContact O-N 2.92Å
81	E	92.1	Very high	91.6	Very high	28 Å²	28	64 Å²	64	13%	0.131	34%	0.344	C	S	.	.	H	α-helix	trans	-55.4	-49.5	172.1	-71.4	179.4	167.3	0	0	111	P39 R76 A77 V78 Q83 I84 E85	P39-E81 VanDerWaalsContact CD-CG 3.42Å; P39-E81 HydrophobicContact CG-CG 3.42Å; P39-E81 VanDerWaalsContact CG-CG 3.42Å; R76-E81 IonicContact CZ-OE2 2.94Å; R76-E81 IonicContact NE-OE1 3.35Å; R76-E81 IonicContact NE-OE2 2.83Å; R76-E81 IonicContact NH2-OE1 3.58Å; R76-E81 IonicContact NH2-OE2 3.43Å; R76-E81 PolarHBondContact NH2-OE2 3.21Å; A77-E81 PolarHBondContact O-N 2.91Å; V78-E81 WeakPolarHBondContact O-CB 3.17Å; V78-E81 PolarHBondContact O-N 3.05Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.82Å; E81-I84 WeakPolarHBondContact O-CB 3.23Å; E81-I84 PolarHBondContact O-N 3.25Å; E81-E85 WeakPolarHBondContact O-CG 3.24Å; E81-E85 PolarHBondContact O-N 3.07Å
82	R	93.1	Very high	91.2	Very high	132 Å²	132	68.2 Å²	68.2	50%	0.498	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-42.5	178.9	-166	-167.3	71.1	76.5	4.1	112.2	V78 E79 L80 E85 S86	V78-R82 PolarHBondContact O-N 3.1Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.76Å; E79-R82 IonicContact OE1-NE 3.55Å; E79-R82 PolarHBondContact OE1-NE 2.89Å; E79-R82 IonicContact OE1-NH2 3.98Å; E79-R82 PolarHBondContact OE1-NH2 2.86Å; E79-R82 IonicContact OE2-CZ 3.8Å; E79-R82 IonicContact OE2-NE 2.68Å; E79-R82 PolarHBondContact OE2-NE 3.46Å; E79-R82 IonicContact OE2-NH2 3.13Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.39Å; R82-E85 PolarHBondContact O-N 3.3Å; R82-S86 PolarHBondContact O-N 3.09Å; R82-S86 PolarHBondContact O-OG 3.21Å
83	Q	92.5	Very high	91	Very high	69 Å²	69	67.4 Å²	67.4	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-42.5	177.1	-72	175.6	14.4	0	0	111.7	F27 E79 L80 E81 E85 S86 T87	F27-Q83 HydrophobicContact CE1-CB 3.65Å; F27-Q83 HydrophobicContact CZ-CB 4.05Å; E79-Q83 VanDerWaalsContact O-CG 3.31Å; E79-Q83 WeakPolarHBondContact O-CG 3.25Å; E79-Q83 PolarHBondContact O-N 2.89Å; E79-Q83 PolarHBondContact OE1-NE2 3.41Å; L80-Q83 PolarHBondContact O-N 3.07Å; E81-Q83 VanDerWaalsContact C-N 3.34Å; E81-Q83 PolarHBondContact O-N 2.82Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; Q83-E85 PolarHBondContact O-N 2.81Å; Q83-S86 PolarHBondContact O-N 2.9Å; Q83-S86 PolarHBondContact O-OG 3.2Å; Q83-S86 VanDerWaalsContact O-OG 3.08Å; Q83-T87 WeakPolarHBondContact O-CB 3.35Å; Q83-T87 PolarHBondContact O-N 3.22Å; Q83-T87 PolarHBondContact O-OG1 3.44Å
84	I	91.7	Very high	91	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-38.7	175.1	-69.1	163.4	0	0	0	111.4	F27 V35 Y36 L80 E81 L100 S101	F27-I84 HydrophobicContact CB-CG1 4.25Å; F27-I84 HydrophobicContact CD1-CD1 4.39Å; F27-I84 HydrophobicContact CD1-CG1 3.59Å; F27-I84 HydrophobicContact CE1-CG1 4.26Å; F27-I84 HydrophobicContact CG-CG1 4.16Å; V35-I84 HydrophobicContact CG1-CG2 3.99Å; Y36-I84 HydrophobicContact CD2-CD1 4.28Å; Y36-I84 HydrophobicContact CG-CD1 4.49Å; L80-I84 HydrophobicContact CG-CD1 4.08Å; L80-I84 WeakPolarHBondContact O-CD1 3.34Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.22Å; L80-I84 PolarHBondContact O-N 2.92Å; E81-I84 WeakPolarHBondContact O-CB 3.23Å; E81-I84 PolarHBondContact O-N 3.25Å; I84-L100 HydrophobicContact CG2-CB 3.81Å; I84-L100 WeakPolarHBondContact O-CB 3.49Å; I84-S101 PolarHBondContact O-N 3.32Å
85	E	90.4	Very high	90.8	Very high	124 Å²	124	72.8 Å²	72.8	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-68.6	-35.5	177.1	-72.7	176.4	178.3	0	0	112.9	E81 R82 Q83 F99	E81-E85 WeakPolarHBondContact O-CG 3.24Å; E81-E85 PolarHBondContact O-N 3.07Å; R82-E85 PolarHBondContact O-N 3.3Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; Q83-E85 PolarHBondContact O-N 2.81Å; E85-F99 WeakPolarHBondContact O-CD1 3.4Å
86	S	90.1	Very high	90.5	Very high	71 Å²	71	74.4 Å²	74.4	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-86.8	-15.5	-178.3	65.8	0	0	0	0	115	R82 Q83	R82-S86 PolarHBondContact O-N 3.09Å; R82-S86 PolarHBondContact O-OG 3.21Å; Q83-S86 PolarHBondContact O-N 2.9Å; Q83-S86 PolarHBondContact O-OG 3.2Å; Q83-S86 VanDerWaalsContact O-OG 3.08Å
87	T	90.6	Very high	90.3	Very high	38 Å²	38	71.8 Å²	71.8	23%	0.233	36%	0.357	C	S	.	.			trans	-91	126.7	-175.4	-55.3	0	0	0	0	110.8	F27 Q83 F99 L100	F27-T87 HydrophobicContact CE2-CG2 4.1Å; Q83-T87 WeakPolarHBondContact O-CB 3.35Å; Q83-T87 PolarHBondContact O-N 3.22Å; Q83-T87 PolarHBondContact O-OG1 3.44Å; T87-F99 WeakPolarHBondContact O-CA 3.41Å; T87-L100 HydrophobicContact CG2-CD1 3.65Å; T87-L100 HydrophobicContact CG2-CG 4.19Å; T87-L100 PolarHBondContact O-N 3.22Å
88	E	90.6	Very high	90.1	Very high	122 Å²	122	73.8 Å²	73.8	57%	0.57	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	147.7	175.4	-62.5	-177.7	140.7	0	0	111.2	F99	E88-F99 HydrophobicContact CG-CD1 3.78Å; E88-F99 HydrophobicContact CG-CE1 3.54Å; E88-F99 HydrophobicContact CG-CZ 4.23Å
89	T	88.8	Confident	89.9	Confident	15 Å²	15	73.7 Å²	73.7	9%	0.092	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.4	173.9	-173.9	0	0	0	0	110.1	L24 N97 F98 L100 I103	L24-T89 VanDerWaalsContact CD1-OG1 3.23Å; L24-T89 WeakPolarHBondContact CD1-OG1 3.08Å; T89-N97 CarbonylContact O-C 3.55Å; T89-N97 VanDerWaalsContact O-CA 3.31Å; T89-N97 WeakPolarHBondContact O-CA 3.47Å; T89-F98 WeakPolarHBondContact CG2-O 3.41Å; T89-F98 PolarHBondContact N-O 3.26Å; T89-F98 PolarHBondContact O-N 3.45Å; T89-L100 HydrophobicContact CG2-CD2 3.56Å; T89-L100 HydrophobicContact CG2-CG 4.42Å; T89-I103 HydrophobicContact CG2-CB 3.73Å; T89-I103 HydrophobicContact CG2-CD1 4.03Å; T89-I103 HydrophobicContact CG2-CG1 3.68Å; T89-I103 HydrophobicContact CG2-CG2 4.03Å
90	S	90.1	Very high	89.7	Confident	56 Å²	56	69.1 Å²	69.1	39%	0.392	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.8	169.9	65.2	0	0	0	0	111.1	K96	S90-K96 WeakPolarHBondContact CA-O 3.38Å
91	C	89.7	Confident	89.5	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.014	34%	0.344	C	S	.	.			trans	-80.9	121.5	172.2	171.9	0	0	0	0	110.1	G93 C94 R95 K96 F98 I103 H106	C91-G93 PolarHBondContact O-N 3.17Å; C91-G93 VanDerWaalsContact O-N 3.15Å; C91-G93 PolarHBondContact SG-N 2.84Å; C91-C94 VanDerWaalsContact CB-SG 3.58Å; C91-C94 PolarHBondContact O-N 2.94Å; C91-C94 VanDerWaalsContact SG-SG 3.67Å; C91-R95 WeakPolarHBondContact O-CA 3.16Å; C91-R95 PolarHBondContact O-N 3.43Å; C91-K96 PolarHBondContact N-O 2.68Å; C91-F98 HydrophobicContact CB-CD2 4.39Å; C91-F98 HydrophobicContact CB-CE2 4.28Å; C91-I103 HydrophobicContact CB-CD1 4.06Å; C91-H106 WeakPolarHBondContact CB-NE2 3.16Å; C91-H106 PolarHBondContact SG-NE2 3.46Å
92	H	84.6	Confident	89.3	Confident	102 Å²	102	75.2 Å²	75.2	47%	0.472	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.4	179.3	-68.4	88.3	0	0	0	114.1	Y113 Y116	H92-Y113 HydrophobicContact CB-CD2 4.35Å; H92-Y113 HydrophobicContact CB-CE2 4.34Å; H92-Y116 HydrophobicContact CB-CD1 4.01Å; H92-Y116 HydrophobicContact CB-CE1 3.87Å; H92-Y116 HydrophobicContact CB-CG 4.44Å
93	G	85.3	Confident	89.1	Confident	20 Å²	20	69.6 Å²	69.6	21%	0.206	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-48	178.4	0	0	0	0	0	114	C91 K112	C91-G93 PolarHBondContact O-N 3.17Å; C91-G93 VanDerWaalsContact O-N 3.15Å; C91-G93 PolarHBondContact SG-N 2.84Å; G93-K112 WeakPolarHBondContact O-CB 3.39Å
94	C	89.6	Confident	88.9	Confident	25 Å²	25	69 Å²	69	17%	0.169	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.8	-173.8	75.8	0	0	0	0	115.1	C91 K96 H106 K112	C91-C94 VanDerWaalsContact CB-SG 3.58Å; C91-C94 PolarHBondContact O-N 2.94Å; C91-C94 VanDerWaalsContact SG-SG 3.67Å; C94-K96 PolarHBondContact O-N 3.12Å; C94-K96 VanDerWaalsContact O-N 3.1Å; C94-H106 VanDerWaalsContact SG-CE1 3.53Å; C94-H106 PolarHBondContact SG-NE2 2.96Å; C94-K112 HydrophobicContact CB-CB 4.47Å; C94-K112 HydrophobicContact CB-CD 3.95Å
95	R	86.2	Confident	88.8	Confident	217 Å²	217	72.6 Å²	72.6	82%	0.819	37%	0.366	S	S	*	.			trans	54.4	16.1	-176.7	-53.5	-172.3	-152.3	-130.9	4.3	115.7	C91	C91-R95 WeakPolarHBondContact O-CA 3.16Å; C91-R95 PolarHBondContact O-N 3.43Å
96	K	89.1	Confident	88.9	Confident	135 Å²	135	68.2 Å²	68.2	59%	0.587	35%	0.345	S	S	*	.			trans	-84.1	148.4	173.9	-64.4	-177.8	179.7	-175.8	0	110.4	S90 C91 C94 F98	S90-K96 WeakPolarHBondContact CA-O 3.38Å; C91-K96 PolarHBondContact N-O 2.68Å; C94-K96 PolarHBondContact O-N 3.12Å; C94-K96 VanDerWaalsContact O-N 3.1Å; K96-F98 HydrophobicContact CB-CD2 4.39Å; K96-F98 HydrophobicContact CB-CE2 3.59Å; K96-F98 HydrophobicContact CB-CZ 3.98Å; K96-F98 HydrophobicContact CD-CZ 4.42Å; K96-F98 WeakPolarHBondContact O-CD2 3.44Å
97	N	89.9	Confident	88.8	Confident	110 Å²	110	65.8 Å²	65.8	59%	0.588	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	140.2	177.8	-65.2	26.7	0	0	0	110.5	T89	T89-N97 CarbonylContact O-C 3.55Å; T89-N97 VanDerWaalsContact O-CA 3.31Å; T89-N97 WeakPolarHBondContact O-CA 3.47Å
98	F	88.8	Confident	88.7	Confident	57 Å²	57	67.5 Å²	67.5	25%	0.25	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.2	177.4	-63	-84.1	0	0	0	109.5	T89 C91 K96 I103 H106	T89-F98 WeakPolarHBondContact CG2-O 3.41Å; T89-F98 PolarHBondContact N-O 3.26Å; T89-F98 PolarHBondContact O-N 3.45Å; C91-F98 HydrophobicContact CB-CD2 4.39Å; C91-F98 HydrophobicContact CB-CE2 4.28Å; K96-F98 HydrophobicContact CB-CD2 4.39Å; K96-F98 HydrophobicContact CB-CE2 3.59Å; K96-F98 HydrophobicContact CB-CZ 3.98Å; K96-F98 HydrophobicContact CD-CZ 4.42Å; K96-F98 WeakPolarHBondContact O-CD2 3.44Å; F98-I103 HydrophobicContact CB-CD1 4.1Å; F98-I103 HydrophobicContact CD2-CD1 3.88Å; F98-I103 HydrophobicContact CG-CD1 4.3Å; F98-H106 AromaticContact CE2-CD2 3.63Å; F98-H106 AromaticContact CE2-CE1 3.54Å; F98-H106 AromaticContact CE2-CG 3.68Å; F98-H106 AromaticContact CE2-ND1 3.64Å; F98-H106 AromaticContact CE2-NE2 3.54Å; F98-H106 AromaticContact CZ-CE1 3.54Å; F98-H106 AromaticContact CZ-CG 3.78Å; F98-H106 AromaticContact CZ-ND1 3.38Å; F98-H106 WeakPolarHBondContact CZ-ND1 3.48Å
99	F	90.6	Very high	88.7	Confident	91 Å²	91	67 Å²	67	40%	0.399	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	150.3	167	-63.8	-78.3	0	0	0	111.1	E85 T87 E88 S101 K102 I103	E85-F99 WeakPolarHBondContact O-CD1 3.4Å; T87-F99 WeakPolarHBondContact O-CA 3.41Å; E88-F99 HydrophobicContact CG-CD1 3.78Å; E88-F99 HydrophobicContact CG-CE1 3.54Å; E88-F99 HydrophobicContact CG-CZ 4.23Å; F99-S101 PolarHBondContact O-N 3.1Å; F99-K102 PolarHBondContact O-N 2.83Å; F99-I103 PolarHBondContact O-N 2.77Å
100	L	88.4	Confident	88.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-59.1	-30.5	176	-69.2	178.5	0	0	0	112.4	L24 F27 V35 I84 T87 T89 K102 I103	L24-L100 HydrophobicContact CD1-CD2 4.26Å; L24-L100 HydrophobicContact CD2-CD1 4.19Å; L24-L100 HydrophobicContact CD2-CD2 3.62Å; L24-L100 HydrophobicContact CD2-CG 4.38Å; L24-L100 HydrophobicContact CG-CD2 4.36Å; F27-L100 HydrophobicContact CB-CD1 3.97Å; F27-L100 HydrophobicContact CD2-CD1 3.36Å; F27-L100 HydrophobicContact CE2-CD1 3.94Å; F27-L100 HydrophobicContact CG-CD1 3.74Å; V35-L100 HydrophobicContact CG1-CB 4.1Å; V35-L100 HydrophobicContact CG2-CD2 4.13Å; I84-L100 HydrophobicContact CG2-CB 3.81Å; I84-L100 WeakPolarHBondContact O-CB 3.49Å; T87-L100 HydrophobicContact CG2-CD1 3.65Å; T87-L100 HydrophobicContact CG2-CG 4.19Å; T87-L100 PolarHBondContact O-N 3.22Å; T89-L100 HydrophobicContact CG2-CD2 3.56Å; T89-L100 HydrophobicContact CG2-CG 4.42Å; L100-K102 PolarHBondContact O-N 3.46Å; L100-I103 HydrophobicContact CD2-CG2 4.12Å; L100-I103 WeakPolarHBondContact O-CG2 3.46Å
101	S	87.4	Confident	88.9	Confident	52 Å²	52	68.3 Å²	68.3	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-24.8	172.8	62.8	0	0	0	0	114.3	I84 F99	I84-S101 PolarHBondContact O-N 3.32Å; F99-S101 PolarHBondContact O-N 3.1Å
102	K	88.7	Confident	89	Confident	133 Å²	133	74.7 Å²	74.7	58%	0.578	39%	0.388	S	S	*	.	H	α-helix	trans	-112.5	-17.8	-176.6	-61.9	-59.1	-176.7	-175	0	114	F99 L100 R104 S105 H106	F99-K102 PolarHBondContact O-N 2.83Å; L100-K102 PolarHBondContact O-N 3.46Å; K102-R104 PolarHBondContact O-N 3.36Å; K102-S105 PolarHBondContact O-N 3.13Å; K102-H106 PolarHBondContact O-N 3.14Å; K102-H106 VanDerWaalsContact O-N 3.12Å
103	I	89.3	Confident	89.1	Confident	14 Å²	14	72.8 Å²	72.8	7%	0.072	38%	0.377	C	S	.	.	H	α-helix	trans	-60.5	-36.2	-176.9	-166.6	63.5	0	0	0	111.7	V35 T89 C91 F98 F99 L100 S105 H106 V107	V35-I103 HydrophobicContact CG2-CG2 3.87Å; T89-I103 HydrophobicContact CG2-CB 3.73Å; T89-I103 HydrophobicContact CG2-CD1 4.03Å; T89-I103 HydrophobicContact CG2-CG1 3.68Å; T89-I103 HydrophobicContact CG2-CG2 4.03Å; C91-I103 HydrophobicContact CB-CD1 4.06Å; F98-I103 HydrophobicContact CB-CD1 4.1Å; F98-I103 HydrophobicContact CD2-CD1 3.88Å; F98-I103 HydrophobicContact CG-CD1 4.3Å; F99-I103 PolarHBondContact O-N 2.77Å; L100-I103 HydrophobicContact CD2-CG2 4.12Å; L100-I103 WeakPolarHBondContact O-CG2 3.46Å; I103-S105 PolarHBondContact O-N 3.01Å; I103-H106 HydrophobicContact CD1-CB 4.47Å; I103-H106 WeakPolarHBondContact O-CB 3.48Å; I103-H106 PolarHBondContact O-N 3.28Å; I103-H106 VanDerWaalsContact O-N 3.12Å; I103-V107 HydrophobicContact CD1-CG1 4.22Å; I103-V107 HydrophobicContact CG1-CG1 4.08Å; I103-V107 WeakPolarHBondContact O-CG1 3.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.41Å; I103-V107 PolarHBondContact O-N 3.5Å
104	R	88	Confident	89.2	Confident	57 Å²	57	76.2 Å²	76.2	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-59.6	-46	179.6	-165.5	172.2	-178.6	-176.8	-9.6	112.5	E34 V35 E37 K102 H106 V107 A108	E34-R104 VanDerWaalsContact CD-NE 3.28Å; E34-R104 IonicContact OE1-NE 3.9Å; E34-R104 PolarHBondContact OE1-NE 2.65Å; E34-R104 IonicContact OE2-CZ 3.55Å; E34-R104 IonicContact OE2-NE 3.41Å; E34-R104 PolarHBondContact OE2-NE 3.08Å; E34-R104 IonicContact OE2-NH2 2.82Å; E34-R104 PolarHBondContact OE2-NH2 3.15Å; V35-R104 PolarHBondContact O-NH1 3.39Å; E37-R104 VanDerWaalsContact CB-NH1 3.34Å; K102-R104 PolarHBondContact O-N 3.36Å; R104-H106 VanDerWaalsContact C-N 3.34Å; R104-V107 WeakPolarHBondContact O-CG2 3.48Å; R104-A108 PolarHBondContact O-N 2.96Å
105	S	89.8	Confident	89.2	Confident	83 Å²	83	79.5 Å²	79.5	58%	0.58	40%	0.403	S	S	*	.	H	α-helix	trans	-69.3	-33.3	175.2	-49.1	0	0	0	0	112.4	K102 I103 T109	K102-S105 PolarHBondContact O-N 3.13Å; I103-S105 PolarHBondContact O-N 3.01Å; S105-T109 PolarHBondContact O-N 2.74Å; S105-T109 PolarHBondContact O-OG1 2.95Å
106	H	91.2	Very high	89.3	Confident	32 Å²	32	75 Å²	75	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-65.9	-49.1	175.8	172.4	73.3	0	0	0	111.9	C91 C94 F98 K102 I103 R104 A108 T109 C110	C91-H106 WeakPolarHBondContact CB-NE2 3.16Å; C91-H106 PolarHBondContact SG-NE2 3.46Å; C94-H106 VanDerWaalsContact SG-CE1 3.53Å; C94-H106 PolarHBondContact SG-NE2 2.96Å; F98-H106 AromaticContact CE2-CD2 3.63Å; F98-H106 AromaticContact CE2-CE1 3.54Å; F98-H106 AromaticContact CE2-CG 3.68Å; F98-H106 AromaticContact CE2-ND1 3.64Å; F98-H106 AromaticContact CE2-NE2 3.54Å; F98-H106 AromaticContact CZ-CE1 3.54Å; F98-H106 AromaticContact CZ-CG 3.78Å; F98-H106 AromaticContact CZ-ND1 3.38Å; F98-H106 WeakPolarHBondContact CZ-ND1 3.48Å; K102-H106 PolarHBondContact O-N 3.14Å; K102-H106 VanDerWaalsContact O-N 3.12Å; I103-H106 HydrophobicContact CD1-CB 4.47Å; I103-H106 WeakPolarHBondContact O-CB 3.48Å; I103-H106 PolarHBondContact O-N 3.28Å; I103-H106 VanDerWaalsContact O-N 3.12Å; R104-H106 VanDerWaalsContact C-N 3.34Å; H106-A108 PolarHBondContact O-N 3.47Å; H106-T109 CarbonylContact O-C 3.52Å; H106-T109 PolarHBondContact O-N 3.14Å; H106-T109 PolarHBondContact O-OG1 3Å; H106-T109 VanDerWaalsContact O-OG1 3.13Å; H106-C110 WeakPolarHBondContact NE2-CB 3.17Å; H106-C110 PolarHBondContact NE2-SG 3.23Å; H106-C110 WeakPolarHBondContact O-CB 3.17Å; H106-C110 PolarHBondContact O-N 3.16Å
107	V	89.2	Confident	89.2	Confident	19 Å²	19	71.9 Å²	71.9	12%	0.115	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-29.8	-177.6	-66.6	0	0	0	0	112.9	I103 R104 T109 Y113 Q114	I103-V107 HydrophobicContact CD1-CG1 4.22Å; I103-V107 HydrophobicContact CG1-CG1 4.08Å; I103-V107 WeakPolarHBondContact O-CG1 3.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.41Å; I103-V107 PolarHBondContact O-N 3.5Å; R104-V107 WeakPolarHBondContact O-CG2 3.48Å; V107-T109 VanDerWaalsContact C-N 3.29Å; V107-T109 PolarHBondContact O-N 2.63Å; V107-Y113 HydrophobicContact CB-CD1 3.45Å; V107-Y113 VanDerWaalsContact CB-CD1 3.45Å; V107-Y113 HydrophobicContact CB-CE1 3.54Å; V107-Y113 HydrophobicContact CB-CG 4.14Å; V107-Y113 HydrophobicContact CG1-CD1 3.63Å; V107-Y113 HydrophobicContact CG1-CD2 4.18Å; V107-Y113 HydrophobicContact CG1-CE1 3.62Å; V107-Y113 HydrophobicContact CG1-CE2 4.2Å; V107-Y113 HydrophobicContact CG1-CG 3.89Å; V107-Y113 HydrophobicContact CG2-CE1 4.33Å; V107-Q114 PolarHBondContact O-NE2 3Å
108	A	87.4	Confident	89	Confident	75 Å²	75	72.5 Å²	72.5	62%	0.62	38%	0.377	S	S	*	.	H	α-helix	trans	-65.9	-30.2	173.2	0	0	0	0	0	113	R104 H106	R104-A108 PolarHBondContact O-N 2.96Å; H106-A108 PolarHBondContact O-N 3.47Å
109	T	90.6	Very high	88.8	Confident	112 Å²	112	74.7 Å²	74.7	69%	0.687	39%	0.388	S	S	*	.	H	α-helix	trans	-105.4	-11.7	-178.8	55.2	0	0	0	0	113.6	S105 H106 V107 S111	S105-T109 PolarHBondContact O-N 2.74Å; S105-T109 PolarHBondContact O-OG1 2.95Å; H106-T109 CarbonylContact O-C 3.52Å; H106-T109 PolarHBondContact O-N 3.14Å; H106-T109 PolarHBondContact O-OG1 3Å; H106-T109 VanDerWaalsContact O-OG1 3.13Å; V107-T109 VanDerWaalsContact C-N 3.29Å; V107-T109 PolarHBondContact O-N 2.63Å; T109-S111 PolarHBondContact O-N 3.43Å
110	C	91.6	Very high	88.5	Confident	12 Å²	12	72.1 Å²	72.1	8%	0.081	39%	0.387	C	S	.	.			trans	-82.9	99.6	-176.5	-172.2	0	0	0	0	111.5	H106 K112 Y113 Q114	H106-C110 WeakPolarHBondContact NE2-CB 3.17Å; H106-C110 PolarHBondContact NE2-SG 3.23Å; H106-C110 WeakPolarHBondContact O-CB 3.17Å; H106-C110 PolarHBondContact O-N 3.16Å; C110-K112 PolarHBondContact O-N 3.48Å; C110-K112 VanDerWaalsContact O-N 3.16Å; C110-Y113 PolarHBondContact O-N 3.09Å; C110-Q114 PolarHBondContact O-N 3.37Å; C110-Q114 VanDerWaalsContact O-N 3.14Å
111	S	92	Very high	88.3	Confident	86 Å²	86	75.6 Å²	75.6	60%	0.601	41%	0.408	S	S	*	.	H	α-helix	trans	-56.6	-33.4	175.4	-43	0	0	0	0	112.7	T109 Y113 Q114 N115	T109-S111 PolarHBondContact O-N 3.43Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; S111-Y113 PolarHBondContact O-N 3.48Å; S111-Q114 PolarHBondContact O-N 3.4Å; S111-N115 PolarHBondContact O-N 2.76Å; S111-N115 PolarHBondContact O-ND2 3.17Å
112	K	90.8	Very high	87.9	Confident	136 Å²	136	77.5 Å²	77.5	59%	0.591	41%	0.41	S	S	*	.	H	α-helix	trans	-66.3	-36.1	177.9	-62	-173	178.9	-175.8	0	112.5	G93 C94 C110 Y116	G93-K112 WeakPolarHBondContact O-CB 3.39Å; C94-K112 HydrophobicContact CB-CB 4.47Å; C94-K112 HydrophobicContact CB-CD 3.95Å; C110-K112 PolarHBondContact O-N 3.48Å; C110-K112 VanDerWaalsContact O-N 3.16Å; K112-Y116 PolarHBondContact O-N 3.34Å; K112-Y116 VanDerWaalsContact O-N 3.09Å
113	Y	87.7	Confident	87.2	Confident	61 Å²	61	73.9 Å²	73.9	24%	0.239	41%	0.405	C	S	.	.	H	α-helix	trans	-71.5	-40.6	176.4	-176.2	-104.3	0	0	0	111.5	H92 V107 C110 S111 N115 Y116 I117	H92-Y113 HydrophobicContact CB-CD2 4.35Å; H92-Y113 HydrophobicContact CB-CE2 4.34Å; V107-Y113 HydrophobicContact CB-CD1 3.45Å; V107-Y113 VanDerWaalsContact CB-CD1 3.45Å; V107-Y113 HydrophobicContact CB-CE1 3.54Å; V107-Y113 HydrophobicContact CB-CG 4.14Å; V107-Y113 HydrophobicContact CG1-CD1 3.63Å; V107-Y113 HydrophobicContact CG1-CD2 4.18Å; V107-Y113 HydrophobicContact CG1-CE1 3.62Å; V107-Y113 HydrophobicContact CG1-CE2 4.2Å; V107-Y113 HydrophobicContact CG1-CG 3.89Å; V107-Y113 HydrophobicContact CG2-CE1 4.33Å; C110-Y113 PolarHBondContact O-N 3.09Å; S111-Y113 VanDerWaalsContact C-N 3.34Å; S111-Y113 PolarHBondContact O-N 3.48Å; Y113-N115 VanDerWaalsContact C-N 3.34Å; Y113-N115 PolarHBondContact O-N 3.03Å; Y113-Y116 HydrophobicContact CD2-CD1 4.42Å; Y113-Y116 HydrophobicContact CE2-CD1 4.37Å; Y113-Y116 WeakPolarHBondContact O-CB 3.4Å; Y113-Y116 PolarHBondContact O-N 3.02Å; Y113-Y116 VanDerWaalsContact O-N 3.17Å; Y113-I117 HydrophobicContact CD1-CD1 3.68Å; Y113-I117 HydrophobicContact CD1-CG1 4.41Å; Y113-I117 HydrophobicContact CE1-CD1 3.32Å; Y113-I117 HydrophobicContact CE1-CG1 4.1Å; Y113-I117 WeakPolarHBondContact O-CG1 3.45Å; Y113-I117 PolarHBondContact O-N 3Å
114	Q	87.7	Confident	86.4	Confident	92 Å²	92	77.7 Å²	77.7	43%	0.43	43%	0.429	S	S	.	.	H	α-helix	trans	-59.9	-42.7	174.5	-62.5	-60.4	-42.4	0	0	112	V107 C110 S111 I117 M118	V107-Q114 PolarHBondContact O-NE2 3Å; C110-Q114 PolarHBondContact O-N 3.37Å; C110-Q114 VanDerWaalsContact O-N 3.14Å; S111-Q114 PolarHBondContact O-N 3.4Å; Q114-I117 PolarHBondContact O-N 2.81Å; Q114-M118 PolarHBondContact O-N 3.32Å
115	N	89.4	Confident	85.4	Confident	94 Å²	94	80 Å²	80	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-64.4	-39.9	174.2	-77.9	-72	0	0	0	112.4	S111 Y113 I117 M118 E119	S111-N115 PolarHBondContact O-N 2.76Å; S111-N115 PolarHBondContact O-ND2 3.17Å; Y113-N115 VanDerWaalsContact C-N 3.34Å; Y113-N115 PolarHBondContact O-N 3.03Å; N115-I117 VanDerWaalsContact C-N 3.35Å; N115-I117 PolarHBondContact O-N 2.99Å; N115-M118 PolarHBondContact O-N 2.92Å; N115-E119 PolarHBondContact O-N 3.14Å
116	Y	87.4	Confident	84	Confident	124 Å²	124	81.9 Å²	81.9	49%	0.486	44%	0.442	S	S	.	.	H	α-helix	trans	-59	-45.3	175.2	168	-100.2	0	0	0	111.9	H92 K112 Y113 M118 E119 G120	H92-Y116 HydrophobicContact CB-CD1 4.01Å; H92-Y116 HydrophobicContact CB-CE1 3.87Å; H92-Y116 HydrophobicContact CB-CG 4.44Å; K112-Y116 PolarHBondContact O-N 3.34Å; K112-Y116 VanDerWaalsContact O-N 3.09Å; Y113-Y116 HydrophobicContact CD2-CD1 4.42Å; Y113-Y116 HydrophobicContact CE2-CD1 4.37Å; Y113-Y116 WeakPolarHBondContact O-CB 3.4Å; Y113-Y116 PolarHBondContact O-N 3.02Å; Y113-Y116 VanDerWaalsContact O-N 3.17Å; Y116-M118 VanDerWaalsContact C-N 3.35Å; Y116-M118 PolarHBondContact O-N 3.48Å; Y116-E119 PolarHBondContact O-N 3.04Å; Y116-G120 PolarHBondContact O-N 3.49Å
117	I	87.6	Confident	82.2	Confident	69 Å²	69	85.8 Å²	85.8	35%	0.354	46%	0.464	S	S	.	.	H	α-helix	trans	-59.6	-47.5	174.8	-65.4	164.6	0	0	0	110.4	Y113 Q114 N115 E119 G120 V121	Y113-I117 HydrophobicContact CD1-CD1 3.68Å; Y113-I117 HydrophobicContact CD1-CG1 4.41Å; Y113-I117 HydrophobicContact CE1-CD1 3.32Å; Y113-I117 HydrophobicContact CE1-CG1 4.1Å; Y113-I117 WeakPolarHBondContact O-CG1 3.45Å; Y113-I117 PolarHBondContact O-N 3Å; Q114-I117 PolarHBondContact O-N 2.81Å; N115-I117 VanDerWaalsContact C-N 3.35Å; N115-I117 PolarHBondContact O-N 2.99Å; I117-E119 PolarHBondContact O-N 3.46Å; I117-G120 WeakPolarHBondContact O-CA 3.48Å; I117-G120 PolarHBondContact O-N 3.23Å; I117-G120 VanDerWaalsContact O-N 3.14Å; I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 WeakPolarHBondContact O-CG2 3.41Å; I117-V121 PolarHBondContact O-N 3.09Å
118	M	85	Confident	80.6	Confident	122 Å²	122	88.3 Å²	88.3	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-61.4	-43.4	-178.1	-174.5	178.8	-67.2	0	0	112.7	Q114 N115 Y116 G120 V121 K122	Q114-M118 PolarHBondContact O-N 3.32Å; N115-M118 PolarHBondContact O-N 2.92Å; Y116-M118 VanDerWaalsContact C-N 3.35Å; Y116-M118 PolarHBondContact O-N 3.48Å; M118-G120 VanDerWaalsContact C-N 3.31Å; M118-G120 PolarHBondContact O-N 3.04Å; M118-V121 PolarHBondContact O-N 3.14Å; M118-K122 WeakPolarHBondContact O-CB 3.46Å; M118-K122 PolarHBondContact O-N 3.19Å
119	E	85.9	Confident	79.1	Confident	103 Å²	103	89 Å²	89	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-66	-34.8	175.5	-72.2	-60.4	130.9	0	0	111.8	N115 Y116 I117 K122 A123	N115-E119 PolarHBondContact O-N 3.14Å; Y116-E119 PolarHBondContact O-N 3.04Å; I117-E119 PolarHBondContact O-N 3.46Å; E119-K122 PolarHBondContact O-N 3.48Å; E119-K122 IonicContact OE1-NZ 3.39Å; E119-K122 PolarHBondContact OE1-NZ 2.92Å; E119-K122 IonicContact OE2-NZ 3.06Å; E119-A123 PolarHBondContact O-N 2.98Å
120	G	82.9	Confident	77.3	Confident	37 Å²	37	89.9 Å²	89.9	38%	0.381	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-49	170.9	0	0	0	0	0	112.6	Y116 I117 M118 K122 A123 T124	Y116-G120 PolarHBondContact O-N 3.49Å; I117-G120 WeakPolarHBondContact O-CA 3.48Å; I117-G120 PolarHBondContact O-N 3.23Å; I117-G120 VanDerWaalsContact O-N 3.14Å; M118-G120 VanDerWaalsContact C-N 3.31Å; M118-G120 PolarHBondContact O-N 3.04Å; G120-K122 VanDerWaalsContact C-N 3.32Å; G120-K122 PolarHBondContact O-N 2.69Å; G120-A123 WeakPolarHBondContact O-CB 3.39Å; G120-A123 PolarHBondContact O-N 3.41Å; G120-T124 PolarHBondContact O-N 3.41Å; G120-T124 VanDerWaalsContact O-N 3.14Å
121	V	84.6	Confident	75.2	Confident	74 Å²	74	95.6 Å²	95.6	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-59.2	-45.1	176.2	173.2	0	0	0	0	110.6	I117 M118 A123 T124 I125	I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 WeakPolarHBondContact O-CG2 3.41Å; I117-V121 PolarHBondContact O-N 3.09Å; M118-V121 PolarHBondContact O-N 3.14Å; V121-A123 VanDerWaalsContact C-N 3.3Å; V121-A123 PolarHBondContact O-N 2.99Å; V121-T124 PolarHBondContact O-N 3.46Å; V121-T124 VanDerWaalsContact O-N 3.09Å; V121-T124 PolarHBondContact O-OG1 3.47Å; V121-I125 HydrophobicContact CG1-CD1 3.78Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 WeakPolarHBondContact O-CG1 3.45Å; V121-I125 PolarHBondContact O-N 3.34Å
122	K	78.8	Confident	73.2	Confident	92 Å²	92	97.5 Å²	97.5	40%	0.4	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-37.5	177.7	-174.7	-177.5	-179.7	-173.5	0	112.8	M118 E119 G120 I125 K126	M118-K122 WeakPolarHBondContact O-CB 3.46Å; M118-K122 PolarHBondContact O-N 3.19Å; E119-K122 PolarHBondContact O-N 3.48Å; E119-K122 IonicContact OE1-NZ 3.39Å; E119-K122 PolarHBondContact OE1-NZ 2.92Å; E119-K122 IonicContact OE2-NZ 3.06Å; G120-K122 VanDerWaalsContact C-N 3.32Å; G120-K122 PolarHBondContact O-N 2.69Å; K122-I125 PolarHBondContact O-N 2.93Å; K122-K126 WeakPolarHBondContact O-CG 3.34Å; K122-K126 PolarHBondContact O-N 3.07Å
123	A	75.1	Confident	71.4	Confident	57 Å²	57	100.6 Å²	100.6	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173.7	0	0	0	0	0	111.5	E119 G120 V121 I125 K126 D127	E119-A123 PolarHBondContact O-N 2.98Å; G120-A123 WeakPolarHBondContact O-CB 3.39Å; G120-A123 PolarHBondContact O-N 3.41Å; V121-A123 VanDerWaalsContact C-N 3.3Å; V121-A123 PolarHBondContact O-N 2.99Å; A123-I125 PolarHBondContact O-N 3.35Å; A123-K126 PolarHBondContact O-N 3.12Å; A123-D127 PolarHBondContact O-N 3.4Å; A123-D127 VanDerWaalsContact O-N 3.12Å
124	T	71.1	Confident	69.8	Low	94 Å²	94	104.8 Å²	104.8	58%	0.577	56%	0.558	S	S	*	*	H	α-helix	trans	-67.1	-33.5	177.9	62.6	0	0	0	0	113.6	G120 V121 A128	G120-T124 PolarHBondContact O-N 3.41Å; G120-T124 VanDerWaalsContact O-N 3.14Å; V121-T124 PolarHBondContact O-N 3.46Å; V121-T124 VanDerWaalsContact O-N 3.09Å; V121-T124 PolarHBondContact O-OG1 3.47Å; T124-A128 WeakPolarHBondContact O-CB 3.45Å; T124-A128 PolarHBondContact O-N 3.3Å
125	I	68.9	Low	68.2	Low	106 Å²	106	105 Å²	105	54%	0.544	57%	0.565	S	S	.	*	H	α-helix	trans	-71.2	-41.6	176	-64.4	168	0	0	0	110.9	V121 K122 A123 D127 A128 S129	V121-I125 HydrophobicContact CG1-CD1 3.78Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 WeakPolarHBondContact O-CG1 3.45Å; V121-I125 PolarHBondContact O-N 3.34Å; K122-I125 PolarHBondContact O-N 2.93Å; A123-I125 PolarHBondContact O-N 3.35Å; I125-D127 VanDerWaalsContact C-N 3.28Å; I125-D127 PolarHBondContact O-N 3.39Å; I125-A128 PolarHBondContact O-N 2.98Å; I125-S129 PolarHBondContact O-N 2.85Å; I125-S129 PolarHBondContact O-OG 3.26Å
126	K	59	Low	66.4	Low	122 Å²	122	105.2 Å²	105.2	53%	0.53	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-39	175.9	-77.6	177.2	176.5	-171.7	0	112.1	K122 A123 S129	K122-K126 WeakPolarHBondContact O-CG 3.34Å; K122-K126 PolarHBondContact O-N 3.07Å; A123-K126 PolarHBondContact O-N 3.12Å; K126-S129 WeakPolarHBondContact CA-OG 3.46Å; K126-S129 PolarHBondContact O-N 3.47Å; K126-S129 PolarHBondContact O-OG 3.48Å
127	D	53.9	Low	64.8	Low	114 Å²	114	104.2 Å²	104.2	61%	0.61	58%	0.575	S	S	*	*	H	α-helix	trans	-69.1	-42	176.3	-160	-102.7	0	0	0	111.8	A123 I125 S129 L130	A123-D127 PolarHBondContact O-N 3.4Å; A123-D127 VanDerWaalsContact O-N 3.12Å; I125-D127 VanDerWaalsContact C-N 3.28Å; I125-D127 PolarHBondContact O-N 3.39Å; D127-S129 VanDerWaalsContact C-N 3.28Å; D127-S129 PolarHBondContact O-N 3.06Å; D127-L130 PolarHBondContact O-N 3.32Å; D127-L130 VanDerWaalsContact O-N 3.16Å
128	A	55.6	Low	63.4	Low	73 Å²	73	111.7 Å²	111.7	60%	0.603	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-29.9	175.7	0	0	0	0	0	113.5	T124 I125 L130	T124-A128 WeakPolarHBondContact O-CB 3.45Å; T124-A128 PolarHBondContact O-N 3.3Å; I125-A128 PolarHBondContact O-N 2.98Å; A128-L130 VanDerWaalsContact C-N 3.3Å; A128-L130 PolarHBondContact O-N 3.46Å
129	S	56.1	Low	62.2	Low	90 Å²	90	113.6 Å²	113.6	63%	0.629	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-10.9	176.5	59.7	0	0	0	0	114.8	I125 K126 D127	I125-S129 PolarHBondContact O-N 2.85Å; I125-S129 PolarHBondContact O-OG 3.26Å; K126-S129 WeakPolarHBondContact CA-OG 3.46Å; K126-S129 PolarHBondContact O-N 3.47Å; K126-S129 PolarHBondContact O-OG 3.48Å; D127-S129 VanDerWaalsContact C-N 3.28Å; D127-S129 PolarHBondContact O-N 3.06Å
130	L	51.8	Low	61.5	Low	129 Å²	129	110.7 Å²	110.7	68%	0.675	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-3.6	-175.8	-73.6	173.4	0	0	0	114.6	D127 A128	D127-L130 PolarHBondContact O-N 3.32Å; D127-L130 VanDerWaalsContact O-N 3.16Å; A128-L130 VanDerWaalsContact C-N 3.3Å; A128-L130 PolarHBondContact O-N 3.46Å
131	Q	47.4	Very low	61.2	Low	133 Å²	133	113.2 Å²	113.2	62%	0.621	59%	0.59	S	S	*	*			trans	-139.4	104.3	178.8	-67	-67.6	-66.4	0	0	110.2	R133	Q131-R133 PolarHBondContact O-N 3.41Å
132	P	51.2	Low	61	Low	125 Å²	125	113.5 Å²	113.5	81%	0.812	59%	0.594	S	S	*	*			trans	-61.6	95.4	160.3	25.1	-29.6	0	0	0	107	N134	P132-N134 PolarHBondContact O-N 3.46Å
133	R	52.1	Low	61.2	Low	202 Å²	202	109.6 Å²	109.6	76%	0.762	58%	0.578	S	S	*	*			trans	-60.1	112.3	171.5	-90.2	-175.8	169.2	-175.3	-1.7	106.3	Q131 V135	Q131-R133 PolarHBondContact O-N 3.41Å; R133-V135 HydrophobicContact CB-CB 4.47Å; R133-V135 HydrophobicContact CB-CG2 4.34Å; R133-V135 PolarHBondContact O-N 3.37Å
134	N	54	Low	61.4	Low	149 Å²	149	111.6 Å²	111.6	80%	0.797	59%	0.586	S	S	*	*			trans	-71.7	38.3	169.8	-143.5	-60.7	0	0	0	110.8	P132	P132-N134 PolarHBondContact O-N 3.46Å
135	V	54.4	Low	61.7	Low	96 Å²	96	112 Å²	112	58%	0.582	58%	0.578	S	S	*	*	S	Bend	trans	-107.8	118.9	172.8	-175.7	0	0	0	0	104.6	R133 N137	R133-V135 HydrophobicContact CB-CB 4.47Å; R133-V135 HydrophobicContact CB-CG2 4.34Å; R133-V135 PolarHBondContact O-N 3.37Å; V135-N137 PolarHBondContact O-N 3.06Å
136	P	51.5	Low	62.3	Low	98 Å²	98	108.4 Å²	108.4	64%	0.636	56%	0.561	S	S	*	*			trans	-56.3	101.5	178	-23.1	32.7	0	0	0	110.2	N150	P136-N150 WeakPolarHBondContact CA-OD1 3.41Å
137	N	53.1	Low	63.2	Low	103 Å²	103	108.3 Å²	108.3	55%	0.551	57%	0.573	S	S	*	*			trans	-67.3	145.5	168.1	-159.1	-0.7	0	0	0	106.5	V135 Y139 T140	V135-N137 PolarHBondContact O-N 3.06Å; N137-Y139 PolarHBondContact O-N 2.81Å; N137-T140 HydrophobicContact CB-CG2 3.81Å; N137-T140 PolarHBondContact O-N 2.81Å; N137-T140 PolarHBondContact O-OG1 2.98Å
138	R	59.1	Low	64.2	Low	226 Å²	226	107.9 Å²	107.9	85%	0.853	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-11.1	178	-171	178.2	176.9	-155.2	-1.5	113
139	Y	59.9	Low	65.3	Low	162 Å²	162	111.8 Å²	111.8	64%	0.635	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	18.5	-179.6	-56.6	-76.3	0	0	0	113.5	N137 F141	N137-Y139 PolarHBondContact O-N 2.81Å; Y139-F141 WeakPolarHBondContact O-CE2 3.19Å
140	T	71.8	Confident	66.3	Low	42 Å²	42	109.8 Å²	109.8	26%	0.258	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-82.7	131.5	170.1	60.9	0	0	0	0	110.8	N137 F151	N137-T140 HydrophobicContact CB-CG2 3.81Å; N137-T140 PolarHBondContact O-N 2.81Å; N137-T140 PolarHBondContact O-OG1 2.98Å; T140-F151 CarbonylContact C-O 3.12Å; T140-F151 VanDerWaalsContact CA-O 3.29Å; T140-F151 WeakPolarHBondContact CA-O 3.48Å
141	F	76.7	Confident	67.5	Low	91 Å²	91	105.4 Å²	105.4	40%	0.399	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-90.6	130.3	-179.8	-58.7	-85.4	0	0	0	110.4	Y139 F151 Q153 L156	Y139-F141 WeakPolarHBondContact O-CE2 3.19Å; F141-F151 PolarHBondContact N-O 2.7Å; F141-F151 PolarHBondContact O-N 3.33Å; F141-F151 VanDerWaalsContact O-N 3.16Å; F141-Q153 HydrophobicContact CE2-CB 4.06Å; F141-L156 HydrophobicContact CB-CB 4.46Å; F141-L156 HydrophobicContact CB-CD2 3.46Å; F141-L156 VanDerWaalsContact CB-CD2 3.46Å; F141-L156 HydrophobicContact CG-CD2 4.33Å
142	P	80.3	Confident	68.8	Low	80 Å²	80	103.6 Å²	103.6	52%	0.519	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-76	147.6	166	32.2	-32.6	0	0	0	110.2	K149	P142-K149 HydrophobicContact CB-CG 4.02Å
143	C	81.5	Confident	69.7	Low	10 Å²	10	104.4 Å²	104.4	7%	0.068	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-70.2	132.4	169.7	-177	0	0	0	0	109.9	Y145 C146 E148 F151 L156 H159	C143-Y145 VanDerWaalsContact C-N 3.28Å; C143-Y145 PolarHBondContact O-N 3.15Å; C143-Y145 PolarHBondContact SG-N 2.95Å; C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C143-E148 PolarHBondContact N-O 2.78Å; C143-F151 HydrophobicContact CB-CD2 4.48Å; C143-F151 HydrophobicContact CB-CE2 4.07Å; C143-L156 HydrophobicContact CB-CD1 3.81Å; C143-H159 VanDerWaalsContact SG-CD2 3.57Å
144	P	79.7	Confident	70.9	Confident	98 Å²	98	102.3 Å²	102.3	64%	0.636	52%	0.515	S	S	*	.	S	Bend	trans	-76.6	-15	178	29	-32.9	0	0	0	113.3
145	Y	77.4	Confident	72	Confident	104 Å²	104	96.1 Å²	96.1	41%	0.408	49%	0.486	S	S	.	.	S	Bend	trans	-104.2	-13.5	-174.8	-56.2	-71.2	0	0	0	113.6	C143 H164 D167	C143-Y145 VanDerWaalsContact C-N 3.28Å; C143-Y145 PolarHBondContact O-N 3.15Å; C143-Y145 PolarHBondContact SG-N 2.95Å; Y145-H164 VanDerWaalsContact CB-CE1 3.44Å; Y145-H164 WeakPolarHBondContact CB-CE1 3.42Å; Y145-H164 WeakPolarHBondContact CB-ND1 3.46Å; Y145-H164 HydrophobicContact CD2-CB 3.99Å; Y145-H164 AromaticContact CD2-CG 3.94Å; Y145-H164 HydrophobicContact CG-CB 4.28Å; Y145-H164 AromaticContact CG-CG 3.97Å; Y145-D167 HydrophobicContact CE1-CB 4.49Å
146	C	81.4	Confident	73.4	Confident	30 Å²	30	92.9 Å²	92.9	20%	0.203	47%	0.465	C	S	.	.	S	Bend	trans	-147.5	165.4	-175.5	82.8	0	0	0	0	111.5	C143 E148 H159	C143-C146 WeakPolarHBondContact CB-SG 3.29Å; C146-E148 PolarHBondContact O-N 3.47Å; C146-E148 VanDerWaalsContact SG-CB 3.56Å; C146-E148 PolarHBondContact SG-N 3.16Å; C146-E148 VanDerWaalsContact SG-N 3.45Å; C146-H159 PolarHBondContact SG-NE2 2.99Å
147	P	78.7	Confident	74.8	Confident	119 Å²	119	91.5 Å²	91.5	77%	0.773	46%	0.455	S	S	*	.	S	Bend	trans	-75.3	0	-178.3	31.3	-34.8	0	0	0	113.6
148	E	75.4	Confident	76.2	Confident	106 Å²	106	92.6 Å²	92.6	50%	0.495	46%	0.457	S	S	.	.			trans	-70.4	139.2	177.3	-60.3	-144	108.6	0	0	111.3	C143 C146 F151 H159	C143-E148 PolarHBondContact N-O 2.78Å; C146-E148 PolarHBondContact O-N 3.47Å; C146-E148 VanDerWaalsContact SG-CB 3.56Å; C146-E148 PolarHBondContact SG-N 3.16Å; C146-E148 VanDerWaalsContact SG-N 3.45Å; E148-F151 HydrophobicContact CB-CE2 3.53Å; E148-F151 HydrophobicContact CB-CZ 3.59Å; E148-H159 IonicContact OE2-CE1 3.04Å; E148-H159 PolarHBondContact OE2-CE1 3.49Å; E148-H159 IonicContact OE2-ND1 3.74Å; E148-H159 PolarHBondContact OE2-ND1 3.2Å
149	K	78.1	Confident	77.4	Confident	155 Å²	155	82.5 Å²	82.5	67%	0.674	42%	0.42	S	S	*	.			trans	-135.8	174.9	-174.1	-59.9	178.9	-174.6	176.3	0	108.9	P142	P142-K149 HydrophobicContact CB-CG 4.02Å
150	N	77.2	Confident	78.3	Confident	48 Å²	48	76.1 Å²	76.1	26%	0.257	40%	0.398	S	S	.	.			trans	77.6	25.7	172.3	-144.2	89.1	0	0	0	114.7	P136	P136-N150 WeakPolarHBondContact CA-OD1 3.41Å
151	F	75.8	Confident	78.8	Confident	37 Å²	37	80.8 Å²	80.8	16%	0.162	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-83.5	147.4	175.2	-60.1	-74.1	0	0	0	111.4	T140 F141 C143 E148 L156 H159	T140-F151 CarbonylContact C-O 3.12Å; T140-F151 VanDerWaalsContact CA-O 3.29Å; T140-F151 WeakPolarHBondContact CA-O 3.48Å; F141-F151 PolarHBondContact N-O 2.7Å; F141-F151 PolarHBondContact O-N 3.33Å; F141-F151 VanDerWaalsContact O-N 3.16Å; C143-F151 HydrophobicContact CB-CD2 4.48Å; C143-F151 HydrophobicContact CB-CE2 4.07Å; E148-F151 HydrophobicContact CB-CE2 3.53Å; E148-F151 HydrophobicContact CB-CZ 3.59Å; F151-L156 HydrophobicContact CB-CB 3.72Å; F151-L156 HydrophobicContact CD2-CD1 3.99Å; F151-L156 HydrophobicContact CG-CB 4.33Å; F151-L156 HydrophobicContact CG-CD1 4.45Å; F151-H159 HydrophobicContact CD1-CB 4.42Å; F151-H159 HydrophobicContact CE1-CB 4.02Å; F151-H159 AromaticContact CE1-ND1 3.94Å; F151-H159 HydrophobicContact CZ-CB 4.17Å; F151-H159 AromaticContact CZ-CE1 3.87Å; F151-H159 AromaticContact CZ-CG 3.68Å; F151-H159 AromaticContact CZ-ND1 3.48Å; F151-H159 WeakPolarHBondContact CZ-ND1 3.2Å
152	D	75.9	Confident	78.9	Confident	94 Å²	94	82 Å²	82	50%	0.503	43%	0.425	S	S	.	.			trans	-78.5	173.9	160.3	64.3	-31	0	0	0	110.5	E154 G155 L156	D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 2.75Å; D152-G155 PolarHBondContact O-N 3.49Å; D152-G155 WeakPolarHBondContact OD1-CA 3.3Å; D152-G155 PolarHBondContact OD1-N 3.44Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 PolarHBondContact O-N 3.49Å
153	Q	69	Low	78.8	Confident	143 Å²	143	85.1 Å²	85.1	67%	0.668	43%	0.43	S	S	*	.	H	α-helix	trans	-59.3	-42.4	-175.5	-179.1	176.9	-18.9	0	0	112	F141 V157	F141-Q153 HydrophobicContact CE2-CB 4.06Å; Q153-V157 VanDerWaalsContact O-CG2 3.3Å; Q153-V157 WeakPolarHBondContact O-CG2 3.48Å; Q153-V157 PolarHBondContact O-N 2.98Å
154	E	77.8	Confident	78.7	Confident	157 Å²	157	86 Å²	86	73%	0.734	43%	0.434	S	S	*	.	H	α-helix	trans	-74.6	-43.5	-179.4	-63.1	-179	105	0	0	111.1	D152 L156 V157 E158	D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 2.75Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 2.9Å; E154-V157 PolarHBondContact O-N 3.42Å; E154-E158 PolarHBondContact O-N 2.92Å
155	G	77.9	Confident	78.2	Confident	19 Å²	19	85.5 Å²	85.5	20%	0.196	43%	0.433	C	S	.	.	H	α-helix	trans	-64.1	-33.6	177.3	0	0	0	0	0	114	D152 H159	D152-G155 PolarHBondContact O-N 3.49Å; D152-G155 WeakPolarHBondContact OD1-CA 3.3Å; D152-G155 PolarHBondContact OD1-N 3.44Å; G155-H159 WeakPolarHBondContact O-CB 3.48Å; G155-H159 PolarHBondContact O-N 3.33Å
156	L	82.5	Confident	77.5	Confident	28 Å²	28	86.5 Å²	86.5	15%	0.147	45%	0.449	C	S	.	.	H	α-helix	trans	-68.5	-41.8	174	178.8	57.3	0	0	0	111.2	F141 C143 F151 D152 E154 E158 H159 C160	F141-L156 HydrophobicContact CB-CB 4.46Å; F141-L156 HydrophobicContact CB-CD2 3.46Å; F141-L156 VanDerWaalsContact CB-CD2 3.46Å; F141-L156 HydrophobicContact CG-CD2 4.33Å; C143-L156 HydrophobicContact CB-CD1 3.81Å; F151-L156 HydrophobicContact CB-CB 3.72Å; F151-L156 HydrophobicContact CD2-CD1 3.99Å; F151-L156 HydrophobicContact CG-CB 4.33Å; F151-L156 HydrophobicContact CG-CD1 4.45Å; D152-L156 WeakPolarHBondContact O-CB 3.45Å; D152-L156 PolarHBondContact O-N 3.49Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 2.9Å; L156-E158 VanDerWaalsContact C-N 3.32Å; L156-E158 PolarHBondContact O-N 3.15Å; L156-H159 PolarHBondContact O-N 3.21Å; L156-C160 WeakPolarHBondContact O-CB 3.33Å; L156-C160 PolarHBondContact O-N 2.76Å; L156-C160 PolarHBondContact O-SG 3.16Å
157	V	80.8	Confident	76.5	Confident	70 Å²	70	88.7 Å²	88.7	42%	0.424	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-41.5	178.2	170.5	0	0	0	0	110.5	Q153 E154 K161	Q153-V157 VanDerWaalsContact O-CG2 3.3Å; Q153-V157 WeakPolarHBondContact O-CG2 3.48Å; Q153-V157 PolarHBondContact O-N 2.98Å; E154-V157 PolarHBondContact O-N 3.42Å; V157-K161 HydrophobicContact CG1-CD 3.97Å; V157-K161 VanDerWaalsContact CG1-CE 3.45Å; V157-K161 WeakPolarHBondContact O-CB 3.21Å; V157-K161 WeakPolarHBondContact O-CG 3.39Å; V157-K161 PolarHBondContact O-N 2.87Å
158	E	83.1	Confident	75.6	Confident	126 Å²	126	89.3 Å²	89.3	59%	0.589	46%	0.461	S	S	*	.	H	α-helix	trans	-68.6	-44.2	176.9	-170.7	150.6	-122.6	0	0	112.1	E154 L156 C160 K161 L162	E154-E158 PolarHBondContact O-N 2.92Å; L156-E158 VanDerWaalsContact C-N 3.32Å; L156-E158 PolarHBondContact O-N 3.15Å; E158-C160 PolarHBondContact O-N 3.4Å; E158-K161 PolarHBondContact O-N 3.36Å; E158-L162 HydrophobicContact CG-CD1 3.74Å; E158-L162 HydrophobicContact CG-CG 4.34Å; E158-L162 WeakPolarHBondContact O-CB 3.44Å; E158-L162 VanDerWaalsContact O-CG 3.29Å; E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 3.11Å
159	H	83.9	Confident	74.6	Confident	14 Å²	14	91.6 Å²	91.6	7%	0.065	47%	0.469	C	S	.	.	H	α-helix	trans	-56.6	-48.7	173	173.2	91.2	0	0	0	111.6	C143 C146 E148 F151 G155 L156 K161 L162 F163 H164	C143-H159 VanDerWaalsContact SG-CD2 3.57Å; C146-H159 PolarHBondContact SG-NE2 2.99Å; E148-H159 IonicContact OE2-CE1 3.04Å; E148-H159 PolarHBondContact OE2-CE1 3.49Å; E148-H159 IonicContact OE2-ND1 3.74Å; E148-H159 PolarHBondContact OE2-ND1 3.2Å; F151-H159 HydrophobicContact CD1-CB 4.42Å; F151-H159 HydrophobicContact CE1-CB 4.02Å; F151-H159 AromaticContact CE1-ND1 3.94Å; F151-H159 HydrophobicContact CZ-CB 4.17Å; F151-H159 AromaticContact CZ-CE1 3.87Å; F151-H159 AromaticContact CZ-CG 3.68Å; F151-H159 AromaticContact CZ-ND1 3.48Å; F151-H159 WeakPolarHBondContact CZ-ND1 3.2Å; G155-H159 WeakPolarHBondContact O-CB 3.48Å; G155-H159 PolarHBondContact O-N 3.33Å; L156-H159 PolarHBondContact O-N 3.21Å; H159-K161 PolarHBondContact O-N 2.99Å; H159-L162 PolarHBondContact O-N 3.25Å; H159-F163 AromaticContact ND1-CD2 3.68Å; H159-F163 WeakPolarHBondContact O-CB 3.32Å; H159-F163 WeakPolarHBondContact O-CD2 3.29Å; H159-F163 PolarHBondContact O-N 3.45Å; H159-H164 AromaticContact NE2-CD2 3.81Å; H159-H164 AromaticContact NE2-NE2 3.52Å
160	C	79.7	Confident	73.1	Confident	27 Å²	27	88.4 Å²	88.4	18%	0.182	47%	0.466	C	S	.	.	H	α-helix	trans	-63.4	-39.1	177.6	-72.8	0	0	0	0	112.5	L156 E158 H164 S165	L156-C160 WeakPolarHBondContact O-CB 3.33Å; L156-C160 PolarHBondContact O-N 2.76Å; L156-C160 PolarHBondContact O-SG 3.16Å; E158-C160 PolarHBondContact O-N 3.4Å; C160-H164 CarbonylContact O-C 3.56Å; C160-H164 WeakPolarHBondContact O-CA 3.44Å; C160-H164 WeakPolarHBondContact O-CB 3.46Å; C160-H164 PolarHBondContact O-N 3.21Å; C160-S165 PolarHBondContact O-N 3.3Å
161	K	81.2	Confident	71.4	Confident	141 Å²	141	91.7 Å²	91.7	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-67.1	-36.9	176.5	-76.1	170.2	-179.9	175.3	0	112.6	V157 E158 H159 S165	V157-K161 HydrophobicContact CG1-CD 3.97Å; V157-K161 VanDerWaalsContact CG1-CE 3.45Å; V157-K161 WeakPolarHBondContact O-CB 3.21Å; V157-K161 WeakPolarHBondContact O-CG 3.39Å; V157-K161 PolarHBondContact O-N 2.87Å; E158-K161 PolarHBondContact O-N 3.36Å; H159-K161 PolarHBondContact O-N 2.99Å; K161-S165 WeakPolarHBondContact O-CB 3.41Å; K161-S165 PolarHBondContact O-OG 3.49Å
162	L	80	Confident	69.7	Low	117 Å²	117	96 Å²	96	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-83.1	-37.7	-176.2	-68	173.1	0	0	0	112.8	E158 H159	E158-L162 HydrophobicContact CG-CD1 3.74Å; E158-L162 HydrophobicContact CG-CG 4.34Å; E158-L162 WeakPolarHBondContact O-CB 3.44Å; E158-L162 VanDerWaalsContact O-CG 3.29Å; E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 3.11Å; H159-L162 PolarHBondContact O-N 3.25Å
163	F	77.5	Confident	68.3	Low	144 Å²	144	101.3 Å²	101.3	63%	0.632	53%	0.527	S	S	*	.	H	α-helix	trans	-109.1	-14.8	-172.7	-63.1	-81.5	0	0	0	114.3	H159	H159-F163 AromaticContact ND1-CD2 3.68Å; H159-F163 WeakPolarHBondContact O-CB 3.32Å; H159-F163 WeakPolarHBondContact O-CD2 3.29Å; H159-F163 PolarHBondContact O-N 3.45Å
164	H	79.8	Confident	67.3	Low	30 Å²	30	100.8 Å²	100.8	14%	0.139	53%	0.529	C	S	.	.	S	Bend	trans	-132.6	20.1	-176.9	-57.1	-64.1	0	0	0	113.6	Y145 H159 C160 T166 D167	Y145-H164 VanDerWaalsContact CB-CE1 3.44Å; Y145-H164 WeakPolarHBondContact CB-CE1 3.42Å; Y145-H164 WeakPolarHBondContact CB-ND1 3.46Å; Y145-H164 HydrophobicContact CD2-CB 3.99Å; Y145-H164 AromaticContact CD2-CG 3.94Å; Y145-H164 HydrophobicContact CG-CB 4.28Å; Y145-H164 AromaticContact CG-CG 3.97Å; H159-H164 AromaticContact NE2-CD2 3.81Å; H159-H164 AromaticContact NE2-NE2 3.52Å; C160-H164 CarbonylContact O-C 3.56Å; C160-H164 WeakPolarHBondContact O-CA 3.44Å; C160-H164 WeakPolarHBondContact O-CB 3.46Å; C160-H164 PolarHBondContact O-N 3.21Å; H164-T166 PolarHBondContact O-N 3.44Å; H164-T166 VanDerWaalsContact O-N 3.08Å; H164-D167 PolarHBondContact O-N 3.41Å; H164-D167 VanDerWaalsContact O-N 3.09Å
165	S	68.3	Low	66	Low	87 Å²	87	99.3 Å²	99.3	61%	0.608	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	-177.4	28.9	0	0	0	0	115	C160 K161	C160-S165 PolarHBondContact O-N 3.3Å; K161-S165 WeakPolarHBondContact O-CB 3.41Å; K161-S165 PolarHBondContact O-OG 3.49Å
166	T	64.6	Low	64.7	Low	124 Å²	124	104.1 Å²	104.1	76%	0.761	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-6	180	51.7	0	0	0	0	113.7	H164 T168	H164-T166 PolarHBondContact O-N 3.44Å; H164-T166 VanDerWaalsContact O-N 3.08Å; T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.88Å; T166-T168 VanDerWaalsContact O-N 3.1Å
167	D	59.4	Low	63.7	Low	77 Å²	77	111 Å²	111	41%	0.412	58%	0.583	S	S	.	*			trans	-85.2	77	177.7	-105.9	-63.4	0	0	0	109.5	Y145 H164 K169	Y145-D167 HydrophobicContact CE1-CB 4.49Å; H164-D167 PolarHBondContact O-N 3.41Å; H164-D167 VanDerWaalsContact O-N 3.09Å; D167-K169 PolarHBondContact O-N 3.13Å
168	T	59.8	Low	62.5	Low	131 Å²	131	114.8 Å²	114.8	80%	0.804	60%	0.596	S	S	*	*			trans	-77.3	72.8	167.6	57.1	0	0	0	0	109.2	T166 S170	T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.88Å; T166-T168 VanDerWaalsContact O-N 3.1Å; T168-S170 PolarHBondContact O-N 2.96Å
169	K	54.7	Low	61.4	Low	155 Å²	155	113.2 Å²	113.2	67%	0.674	59%	0.592	S	S	*	*			trans	-81.4	103.2	157.4	-76.3	-170.8	-179.6	-178	0	107.4	D167 V171	D167-K169 PolarHBondContact O-N 3.13Å; K169-V171 PolarHBondContact O-N 3.47Å
170	S	45.4	Very low	60.1	Low	88 Å²	88	119.5 Å²	119.5	62%	0.615	62%	0.623	S	S	*	*			trans	-46.8	132.5	164.7	41.9	0	0	0	0	109.5	T168 D172	T168-S170 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact O-N 3.17Å; S170-D172 VanDerWaalsContact O-N 3.11Å
171	V	43.1	Very low	59.3	Low	116 Å²	116	124.4 Å²	124.4	70%	0.703	65%	0.645	S	S	*	*			trans	-73.5	99.1	164.9	-142.1	0	0	0	0	105.1	K169 Y173	K169-V171 PolarHBondContact O-N 3.47Å; V171-Y173 HydrophobicContact CB-CD2 4.26Å; V171-Y173 HydrophobicContact CB-CE2 3.98Å; V171-Y173 HydrophobicContact CG1-CE2 4.4Å; V171-Y173 WeakPolarHBondContact O-CD2 3.21Å; V171-Y173 PolarHBondContact O-N 3.39Å; V171-Y173 VanDerWaalsContact O-N 3.1Å
172	D	40.3	Very low	58.2	Low	127 Å²	127	121.6 Å²	121.6	68%	0.679	64%	0.636	S	S	*	*			trans	-66.3	104.5	167.6	-77.9	-72.5	0	0	0	107.4	S170 D174	S170-D172 PolarHBondContact O-N 3.17Å; S170-D172 VanDerWaalsContact O-N 3.11Å; D172-D174 PolarHBondContact O-N 3.06Å; D172-D174 VanDerWaalsContact O-N 3.13Å
173	Y	45.6	Very low	57.4	Low	206 Å²	206	120.7 Å²	120.7	81%	0.808	63%	0.629	S	S	*	*			trans	-81.5	68.9	169.8	-78.4	-92.3	0	0	0	108.8	V171	V171-Y173 HydrophobicContact CB-CD2 4.26Å; V171-Y173 HydrophobicContact CB-CE2 3.98Å; V171-Y173 HydrophobicContact CG1-CE2 4.4Å; V171-Y173 WeakPolarHBondContact O-CD2 3.21Å; V171-Y173 PolarHBondContact O-N 3.39Å; V171-Y173 VanDerWaalsContact O-N 3.1Å
174	D	48.5	Very low	56.6	Low	132 Å²	132	118.7 Å²	118.7	71%	0.706	63%	0.628	S	S	*	*			trans	-128	75.8	165	-72	-59.6	0	0	0	107.8	D172	D172-D174 PolarHBondContact O-N 3.06Å; D172-D174 VanDerWaalsContact O-N 3.13Å
175	V	50.1	Low	55.5	Low	126 Å²	126	123 Å²	123	76%	0.764	65%	0.652	S	S	*	*			trans	-115	98.1	158.1	-179.2	0	0	0	0	105.4	E177	V175-E177 PolarHBondContact O-N 3.19Å
176	D	51.2	Low	55.1	Low	121 Å²	121	127 Å²	127	65%	0.647	66%	0.661	S	S	*	*			trans	-50.4	120.5	178.6	-73.2	-77	0	0	0	111.2	E178 D179	D176-E178 PolarHBondContact O-N 2.9Å; D176-D179 PolarHBondContact O-N 3.44Å; D176-D179 VanDerWaalsContact O-N 3.11Å
177	E	60.4	Low	55	Low	172 Å²	172	131.3 Å²	131.3	80%	0.804	66%	0.663	S	S	*	*	H	α-helix	trans	-56.6	-19.8	179	-66.1	-170.6	104.9	0	0	112.9	V175 M180 M181	V175-E177 PolarHBondContact O-N 3.19Å; E177-M180 PolarHBondContact O-N 3.3Å; E177-M181 PolarHBondContact O-N 2.91Å
178	E	56.6	Low	54.5	Low	149 Å²	149	135.5 Å²	135.5	70%	0.696	70%	0.698	S	S	*	*	H	α-helix	trans	-66.3	-33.1	177.9	-120	176.9	119.6	0	0	113.2	D176 N182	D176-E178 PolarHBondContact O-N 2.9Å; E178-N182 WeakPolarHBondContact O-CB 3.4Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 VanDerWaalsContact O-N 3.15Å; E178-N182 PolarHBondContact O-ND2 3.45Å
179	D	58.5	Low	54.2	Low	94 Å²	94	135.7 Å²	135.7	50%	0.503	69%	0.693	S	S	.	*	H	α-helix	trans	-74.9	-37.7	178.9	-169.4	-99.7	0	0	0	111.3	D176 M181 N182 Q183	D176-D179 PolarHBondContact O-N 3.44Å; D176-D179 VanDerWaalsContact O-N 3.11Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.88Å; D179-N182 PolarHBondContact O-N 3.44Å; D179-Q183 WeakPolarHBondContact O-CG 3.44Å; D179-Q183 PolarHBondContact O-N 2.96Å; D179-Q183 PolarHBondContact OD1-NE2 3.1Å
180	M	57	Low	54.2	Low	145 Å²	145	134.7 Å²	134.7	71%	0.714	69%	0.694	S	S	*	*	H	α-helix	trans	-68.5	-33.8	178.4	-154.1	171.2	85.3	0	0	111.8	E177 V184	E177-M180 PolarHBondContact O-N 3.3Å; M180-V184 WeakPolarHBondContact O-CG2 3.04Å
181	M	63.5	Low	54.7	Low	131 Å²	131	137.3 Å²	137.3	65%	0.645	70%	0.698	S	S	*	*	H	α-helix	trans	-73.6	-36.7	176	-151.8	178.8	-58.8	0	0	112.1	E177 D179 V184 L185	E177-M181 PolarHBondContact O-N 2.91Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.88Å; M181-V184 PolarHBondContact O-N 3.09Å; M181-L185 PolarHBondContact O-N 3.08Å
182	N	58.6	Low	55.3	Low	82 Å²	82	138.5 Å²	138.5	44%	0.439	70%	0.698	S	S	.	*	H	α-helix	trans	-68.7	-32.9	176.8	-82.6	-47.7	0	0	0	113.1	E178 D179 V184 L185 Q186	E178-N182 WeakPolarHBondContact O-CB 3.4Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 VanDerWaalsContact O-N 3.15Å; E178-N182 PolarHBondContact O-ND2 3.45Å; D179-N182 PolarHBondContact O-N 3.44Å; N182-V184 VanDerWaalsContact C-N 3.33Å; N182-V184 PolarHBondContact O-N 3.11Å; N182-L185 PolarHBondContact O-N 3.37Å; N182-Q186 PolarHBondContact O-N 2.98Å
183	Q	62.3	Low	56.3	Low	98 Å²	98	139.3 Å²	139.3	46%	0.458	70%	0.699	S	S	.	*	H	α-helix	trans	-69.8	-26.4	175.6	-73.2	-175.9	42.5	0	0	113.8	D179	D179-Q183 WeakPolarHBondContact O-CG 3.44Å; D179-Q183 PolarHBondContact O-N 2.96Å; D179-Q183 PolarHBondContact OD1-NE2 3.1Å
184	V	61.8	Low	57	Low	102 Å²	102	134.8 Å²	134.8	62%	0.618	69%	0.692	S	S	*	*	H	α-helix	trans	-76.5	-36.6	176.7	175.3	0	0	0	0	111.2	M180 M181 N182 R187	M180-V184 WeakPolarHBondContact O-CG2 3.04Å; M181-V184 PolarHBondContact O-N 3.09Å; N182-V184 VanDerWaalsContact C-N 3.33Å; N182-V184 PolarHBondContact O-N 3.11Å; V184-R187 PolarHBondContact O-N 3.1Å
185	L	56	Low	57.6	Low	121 Å²	121	135 Å²	135	63%	0.634	69%	0.691	S	S	*	*	H	α-helix	trans	-72.5	-28.4	179.7	-74.9	164.3	0	0	0	113.3	M181 N182 R187	M181-L185 PolarHBondContact O-N 3.08Å; N182-L185 PolarHBondContact O-N 3.37Å; L185-R187 VanDerWaalsContact C-N 3.31Å; L185-R187 PolarHBondContact O-N 2.93Å
186	Q	59.6	Low	58.2	Low	169 Å²	169	135.7 Å²	135.7	79%	0.79	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-6	178	-72.3	178.9	0.7	0	0	114.6	N182	N182-Q186 PolarHBondContact O-N 2.98Å
187	R	61.8	Low	58.8	Low	216 Å²	216	136.9 Å²	136.9	82%	0.815	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	9.6	178.6	-74.2	179.5	164.1	175.1	-0.6	113.9	V184 L185	V184-R187 PolarHBondContact O-N 3.1Å; L185-R187 VanDerWaalsContact C-N 3.31Å; L185-R187 PolarHBondContact O-N 2.93Å
188	S	49.2	Very low	58.6	Low	164 Å²	164	133.7 Å²	133.7	100%	1.147	68%	0.678	S	S	*	*			trans	-99.6	0	175.1	-58.8	0	0	0	0	111.6

Retrieved 188 of 188 residues in 132.4 ms (Link to these results)

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