A0A096MF62_POEFO Loading...

RAB32a, member RAS oncogene family

AlphaFold DB , UniProt , Accession A0A096MF62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 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	S	33	Very low	35.8	Very low	174 Å²	174	122.5 Å²	122.5	100%	1.217	76%	0.758	S	S	*	*				0	85.6	0	37.3	0	0	0	0	108.3
2	G	30.5	Very low	36.3	Very low	55 Å²	55	122.2 Å²	122.2	57%	0.567	76%	0.755	S	S	*	*			trans	-104.9	106.2	177.7	0	0	0	0	0	108.8	Y4	G2-Y4 WeakPolarHBondContact O-CE2 3.43Å
3	S	28.3	Very low	36.6	Very low	121 Å²	121	117.8 Å²	117.8	85%	0.846	72%	0.723	S	S	*	*			trans	-74.3	123	177	-55.6	0	0	0	0	109.3	D5	S3-D5 PolarHBondContact O-N 3.48Å
4	Y	31.2	Very low	36.6	Very low	212 Å²	212	117.1 Å²	117.1	83%	0.831	73%	0.725	S	S	*	*			trans	-78.7	112.2	174.4	-42.6	-86	0	0	0	107.9	G2 L6	G2-Y4 WeakPolarHBondContact O-CE2 3.43Å; Y4-L6 PolarHBondContact O-N 3.29Å
5	D	30.7	Very low	37.1	Very low	142 Å²	142	120.3 Å²	120.3	76%	0.759	73%	0.731	S	S	*	*			trans	-80.6	103.7	176.2	-155.9	-22.6	0	0	0	109.1	S3 S7	S3-D5 PolarHBondContact O-N 3.48Å; D5-S7 PolarHBondContact O-N 3.44Å; D5-S7 PolarHBondContact OD1-OG 3.26Å
6	L	36.7	Very low	37.4	Very low	171 Å²	171	118.2 Å²	118.2	90%	0.895	73%	0.73	S	S	*	*			trans	-89.9	73.6	171.1	-74.9	167.5	0	0	0	108.5	Y4	Y4-L6 PolarHBondContact O-N 3.29Å
7	S	35.5	Very low	37.7	Very low	87 Å²	87	116.9 Å²	116.9	61%	0.608	75%	0.745	S	S	*	*			trans	-124.2	74.1	169.3	48.6	0	0	0	0	109.8	D5 G9	D5-S7 PolarHBondContact O-N 3.44Å; D5-S7 PolarHBondContact OD1-OG 3.26Å; S7-G9 PolarHBondContact O-N 3.22Å
8	G	41.7	Very low	37.8	Very low	85 Å²	85	113.7 Å²	113.7	88%	0.876	74%	0.738	S	S	*	*			trans	-68.1	119.7	164.7	0	0	0	0	0	110
9	G	46.7	Very low	38.1	Very low	44 Å²	44	113.4 Å²	113.4	45%	0.454	74%	0.739	S	S	.	*			trans	100.9	99.2	166.1	0	0	0	0	0	113.2	S7	S7-G9 PolarHBondContact O-N 3.22Å
10	F	39.6	Very low	38.8	Very low	190 Å²	190	113.5 Å²	113.5	83%	0.833	74%	0.736	S	S	*	*			trans	-152	111	145.2	-102.4	-78.9	0	0	0	109.3	V12	F10-V12 HydrophobicContact CB-CG2 3.77Å; F10-V12 PolarHBondContact O-N 2.89Å
11	C	39.8	Very low	39.7	Very low	67 Å²	67	110.1 Å²	110.1	45%	0.453	72%	0.716	S	S	.	*			trans	-63.9	90.9	147.7	-170.7	0	0	0	0	105.5	L13	C11-L13 PolarHBondContact O-N 2.93Å
12	V	41.8	Very low	41.7	Very low	118 Å²	118	109.4 Å²	109.4	72%	0.715	69%	0.693	S	S	*	*			trans	-73.6	101.1	178.9	-174.8	0	0	0	0	107.4	F10 S14	F10-V12 HydrophobicContact CB-CG2 3.77Å; F10-V12 PolarHBondContact O-N 2.89Å; V12-S14 PolarHBondContact O-N 2.91Å
13	L	40.4	Very low	44.2	Very low	66 Å²	66	109.3 Å²	109.3	35%	0.346	68%	0.683	S	S	.	*			trans	-63.6	117.6	162.5	-119.3	93.7	0	0	0	108	C11 M15 V20	C11-L13 PolarHBondContact O-N 2.93Å; L13-M15 PolarHBondContact O-N 2.92Å; L13-V20 HydrophobicContact CD2-CG1 4.39Å
14	S	36.9	Very low	47.1	Very low	108 Å²	108	108.9 Å²	108.9	76%	0.755	67%	0.666	S	S	*	*			trans	-63.3	114.3	165.8	-176.5	0	0	0	0	108.8	V12 A16	V12-S14 PolarHBondContact O-N 2.91Å; S14-A16 PolarHBondContact O-N 3.15Å
15	M	44.3	Very low	49.9	Very low	165 Å²	165	100.8 Å²	100.8	81%	0.813	64%	0.636	S	S	*	*			trans	-83	88	174.6	-78.6	-89.2	176	0	0	109.5	L13	L13-M15 PolarHBondContact O-N 2.92Å
16	A	41.5	Very low	52.6	Low	86 Å²	86	96 Å²	96	71%	0.711	61%	0.608	S	S	*	*	S	Bend	trans	-142.6	89.9	156.4	0	0	0	0	0	108.9	S14 G18	S14-A16 PolarHBondContact O-N 3.15Å; A16-G18 PolarHBondContact O-N 2.96Å
17	G	42.9	Very low	55	Low	96 Å²	96	90.3 Å²	90.3	99%	0.99	58%	0.578	S	S	*	*	S	Bend	trans	68.4	19.3	157.3	0	0	0	0	0	119.4
18	G	38.1	Very low	57.4	Low	59 Å²	59	86.1 Å²	86.1	61%	0.608	55%	0.549	S	S	*	.	S	Bend	trans	-124.8	143.8	177.9	0	0	0	0	0	112.4	A16 V20	A16-G18 PolarHBondContact O-N 2.96Å; G18-V20 PolarHBondContact O-N 3.01Å
19	S	43.3	Very low	59.4	Low	108 Å²	108	86.5 Å²	86.5	76%	0.755	53%	0.526	S	S	*	.			trans	-42.6	134.6	178.3	46.2	0	0	0	0	113.4	S21	S19-S21 PolarHBondContact O-N 2.86Å
20	V	52.7	Low	61.3	Low	115 Å²	115	84.5 Å²	84.5	70%	0.697	51%	0.505	S	S	*	.			trans	-57.5	103.4	173.1	180	0	0	0	0	107.8	L13 G18 E22	L13-V20 HydrophobicContact CD2-CG1 4.39Å; G18-V20 PolarHBondContact O-N 3.01Å; V20-E22 PolarHBondContact O-N 3.22Å
21	S	57.6	Low	63.5	Low	43 Å²	43	75.9 Å²	75.9	30%	0.301	47%	0.468	S	S	.	.			trans	-73.9	109.4	173	-72.4	0	0	0	0	107.2	S19 C23 K74	S19-S21 PolarHBondContact O-N 2.86Å; S21-C23 PolarHBondContact O-N 2.83Å; S21-C23 VanDerWaalsContact O-N 3.11Å; S21-K74 PolarHBondContact OG-NZ 2.87Å
22	E	75.2	Confident	65.6	Low	159 Å²	159	72.7 Å²	72.7	74%	0.743	45%	0.446	S	S	*	.			trans	-54.3	114	177	-164.8	176.7	-162.3	0	0	110	V20	V20-E22 PolarHBondContact O-N 3.22Å
23	C	82.5	Confident	67.6	Low	53 Å²	53	67.8 Å²	67.8	36%	0.358	42%	0.416	S	S	.	.			trans	-84.9	119.2	176.2	-172.8	0	0	0	0	108.4	S21 K74	S21-C23 PolarHBondContact O-N 2.83Å; S21-C23 VanDerWaalsContact O-N 3.11Å; C23-K74 CarbonylContact C-O 3.58Å; C23-K74 VanDerWaalsContact CA-O 3.31Å; C23-K74 WeakPolarHBondContact CA-O 3.46Å
24	K	89.3	Confident	69.5	Low	113 Å²	113	65 Å²	65	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.8	179.7	-66.4	-177.1	-178.6	178.7	0	110	Y26 K74 T75 L76	K24-Y26 HydrophobicContact CB-CE2 3.98Å; K24-K74 PolarHBondContact N-O 3.46Å; K24-T75 CarbonylContact O-C 3.35Å; K24-T75 WeakPolarHBondContact O-CA 3.16Å; K24-L76 PolarHBondContact O-N 3.4Å
25	E	89.8	Confident	71.4	Confident	42 Å²	42	62.5 Å²	62.5	20%	0.196	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.7	176.2	-173	163.6	-151.8	0	0	111.5	L76 R78 Y204	E25-L76 WeakPolarHBondContact CA-O 3.26Å; E25-L76 HydrophobicContact CG-CB 4.32Å; E25-L76 HydrophobicContact CG-CD2 4.33Å; E25-L76 HydrophobicContact CG-CG 4.47Å; E25-L76 VanDerWaalsContact OE1-CD2 3.26Å; E25-L76 WeakPolarHBondContact OE1-CD2 3.26Å; E25-R78 WeakPolarHBondContact OE1-CD 3.36Å; E25-R78 IonicContact OE1-CZ 2.97Å; E25-R78 IonicContact OE1-NE 2.6Å; E25-R78 PolarHBondContact OE1-NE 3.33Å; E25-R78 IonicContact OE1-NH2 2.75Å; E25-R78 PolarHBondContact OE1-NH2 3.44Å; E25-R78 IonicContact OE2-NH2 3.61Å; E25-Y204 HydrophobicContact CG-CD1 4.05Å; E25-Y204 HydrophobicContact CG-CG 4.15Å; E25-Y204 PolarHBondContact O-N 3Å; E25-Y204 VanDerWaalsContact OE2-CD1 3.26Å; E25-Y204 WeakPolarHBondContact OE2-CD1 3.36Å
26	Y	88.3	Confident	73.2	Confident	41 Å²	41	59 Å²	59	16%	0.161	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.8	179.7	-65.8	-75.6	0	0	0	111.2	K24 F28 T75 L76 R78 L196	K24-Y26 HydrophobicContact CB-CE2 3.98Å; Y26-F28 HydrophobicContact CD1-CE1 4.37Å; Y26-F28 HydrophobicContact CD1-CZ 4.07Å; Y26-F28 HydrophobicContact CG-CE2 4.47Å; Y26-F28 AromaticContact CG-CZ 3.9Å; Y26-F28 HydrophobicContact CG-CZ 3.9Å; Y26-T75 HydrophobicContact CD2-CG2 3.77Å; Y26-T75 HydrophobicContact CE2-CG2 3.78Å; Y26-L76 PolarHBondContact N-O 2.96Å; Y26-R78 PolarHBondContact O-N 2.93Å; Y26-L196 HydrophobicContact CD2-CD2 3.76Å; Y26-L196 HydrophobicContact CE2-CD2 3.91Å; Y26-L196 HydrophobicContact CG-CD2 4.11Å
27	L	87.1	Confident	74.9	Confident	51 Å²	51	56.9 Å²	56.9	27%	0.267	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.5	171.6	-176.9	68.1	0	0	0	110.4	R78 Q80 Y204	L27-R78 WeakPolarHBondContact CA-O 3.17Å; L27-R78 HydrophobicContact CD1-CB 3.58Å; L27-Q80 HydrophobicContact CD1-CG 3.73Å; L27-Q80 HydrophobicContact CG-CG 4.48Å; L27-Y204 HydrophobicContact CB-CD2 3.96Å; L27-Y204 HydrophobicContact CD2-CD2 4.05Å; L27-Y204 HydrophobicContact CD2-CE2 4.13Å
28	F	85.6	Confident	76.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.7	-179.7	-59.5	-41.6	0	0	0	112	Y26 V77 R78 L79 Q80 I195 L196	Y26-F28 HydrophobicContact CD1-CE1 4.37Å; Y26-F28 HydrophobicContact CD1-CZ 4.07Å; Y26-F28 HydrophobicContact CG-CE2 4.47Å; Y26-F28 AromaticContact CG-CZ 3.9Å; Y26-F28 HydrophobicContact CG-CZ 3.9Å; F28-V77 HydrophobicContact CD2-CG1 3.64Å; F28-V77 HydrophobicContact CE2-CG1 3.81Å; F28-V77 HydrophobicContact CE2-CG2 4.49Å; F28-R78 PolarHBondContact N-O 2.93Å; F28-L79 HydrophobicContact CB-CD2 3.76Å; F28-L79 HydrophobicContact CD2-CD2 3.82Å; F28-L79 HydrophobicContact CG-CD2 4.3Å; F28-L79 WeakPolarHBondContact O-CA 3.31Å; F28-Q80 PolarHBondContact O-N 2.72Å; F28-I195 HydrophobicContact CD1-CG2 3.74Å; F28-I195 HydrophobicContact CD2-CD1 4.47Å; F28-I195 HydrophobicContact CD2-CG2 3.76Å; F28-I195 HydrophobicContact CE1-CG2 3.45Å; F28-I195 VanDerWaalsContact CE1-CG2 3.45Å; F28-I195 HydrophobicContact CE2-CB 4.41Å; F28-I195 HydrophobicContact CE2-CG2 3.5Å; F28-I195 VanDerWaalsContact CE2-CG2 3.5Å; F28-I195 HydrophobicContact CG-CG2 3.89Å; F28-I195 HydrophobicContact CZ-CG2 3.32Å; F28-L196 HydrophobicContact CE2-CD2 3.89Å; F28-L196 HydrophobicContact CE2-CG 4.19Å; F28-L196 HydrophobicContact CZ-CD2 3.71Å; F28-L196 HydrophobicContact CZ-CG 4.33Å
29	K	84.5	Confident	79.1	Confident	93 Å²	93	50.4 Å²	50.4	40%	0.404	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.7	171.4	-65.5	-179.7	-176.4	178.7	0	109.3	Q80 R104	K29-Q80 HydrophobicContact CG-CB 4.3Å; K29-R104 WeakPolarHBondContact O-CD 3.43Å; K29-R104 PolarHBondContact O-N 3.3Å
30	V	86.1	Confident	81.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121	177.6	-179.2	0	0	0	0	108.8	L79 Q80 L81 W82 R104 M106 L191	V30-L79 HydrophobicContact CG2-CD2 4.32Å; V30-Q80 PolarHBondContact N-O 2.66Å; V30-L81 HydrophobicContact CB-CD2 3.86Å; V30-L81 HydrophobicContact CG1-CD2 4.12Å; V30-L81 HydrophobicContact CG2-CD2 4.42Å; V30-L81 CarbonylContact O-C 3.59Å; V30-L81 WeakPolarHBondContact O-CA 3.35Å; V30-W82 PolarHBondContact O-N 2.78Å; V30-R104 CarbonylContact C-O 3.58Å; V30-R104 WeakPolarHBondContact CA-O 3.1Å; V30-R104 HydrophobicContact CG2-CB 4.13Å; V30-M106 HydrophobicContact CG1-CB 4.43Å; V30-L191 HydrophobicContact CB-CD2 4.47Å; V30-L191 HydrophobicContact CG1-CD2 3.6Å; V30-L191 HydrophobicContact CG2-CD2 3.99Å
31	L	85.1	Confident	83	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.4	175.7	-169.4	88.9	0	0	0	110.1	I33 W82 I84 L98 R104 M105 M106	L31-I33 HydrophobicContact CD2-CG2 3.32Å; L31-I33 HydrophobicContact CG-CG2 3.79Å; L31-W82 HydrophobicContact CD1-CB 4.07Å; L31-I84 HydrophobicContact CD1-CD1 3.65Å; L31-I84 HydrophobicContact CD1-CG1 3.41Å; L31-I84 VanDerWaalsContact CD1-CG1 3.41Å; L31-I84 HydrophobicContact CG-CG1 3.99Å; L31-L98 HydrophobicContact CD1-CD2 3.54Å; L31-L98 HydrophobicContact CD2-CD2 3.1Å; L31-L98 HydrophobicContact CD2-CG 4.44Å; L31-L98 HydrophobicContact CG-CD2 3.88Å; L31-R104 PolarHBondContact N-O 3.19Å; L31-M105 HydrophobicContact CB-CG 4.17Å; L31-M105 HydrophobicContact CD2-CE 4.07Å; L31-M105 HydrophobicContact CD2-CG 4.1Å; L31-M105 HydrophobicContact CD2-SD 4.36Å; L31-M105 WeakPolarHBondContact O-CA 3.45Å; L31-M106 PolarHBondContact O-N 3.2Å
32	V	85.6	Confident	84.5	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.2	174.6	-170.6	0	0	0	0	109.2	K40 I43 I44 W82 I84 M106 T108	V32-K40 HydrophobicContact CG1-CB 3.96Å; V32-K40 HydrophobicContact CG1-CG 3.98Å; V32-I43 HydrophobicContact CG1-CG2 4.44Å; V32-I44 HydrophobicContact CB-CD1 3.9Å; V32-I44 HydrophobicContact CB-CG1 4.47Å; V32-I44 HydrophobicContact CG1-CD1 4.29Å; V32-I44 HydrophobicContact CG2-CD1 3.71Å; V32-I44 HydrophobicContact CG2-CG1 3.93Å; V32-W82 PolarHBondContact N-O 3.17Å; V32-I84 PolarHBondContact O-N 2.84Å; V32-M106 WeakPolarHBondContact CA-O 3.41Å; V32-M106 HydrophobicContact CG1-CE 4.13Å; V32-M106 HydrophobicContact CG2-CB 4.37Å; V32-M106 HydrophobicContact CG2-CE 4.27Å; V32-T108 HydrophobicContact CG1-CG2 4.16Å
33	I	82.6	Confident	85.2	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.077	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	165.1	-175.5	56.6	157.4	0	0	0	112.6	L31 I84 A89 M105 M106 F107 T108	L31-I33 HydrophobicContact CD2-CG2 3.32Å; L31-I33 HydrophobicContact CG-CG2 3.79Å; I33-I84 HydrophobicContact CG2-CB 4.48Å; I33-I84 HydrophobicContact CG2-CG1 4.4Å; I33-A89 HydrophobicContact CG2-CB 4.28Å; I33-M105 HydrophobicContact CD1-CE 3.21Å; I33-M105 HydrophobicContact CG1-CE 3.99Å; I33-M106 PolarHBondContact N-O 3.21Å; I33-F107 HydrophobicContact CD1-CD2 3.59Å; I33-F107 HydrophobicContact CD1-CE2 4.18Å; I33-F107 HydrophobicContact CG1-CB 4.46Å; I33-F107 HydrophobicContact CG1-CD2 3.74Å; I33-F107 HydrophobicContact CG1-CE2 4.49Å; I33-F107 HydrophobicContact CG1-CG 4.49Å; I33-F107 CarbonylContact O-C 3.55Å; I33-T108 PolarHBondContact O-N 3.34Å; I33-T108 PolarHBondContact O-OG1 3.27Å
34	G	80.1	Confident	85.6	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	17%	0.17	C	C	.	.			trans	144.2	165.9	-176.2	0	0	0	0	0	111.8	K40 G86 T108	G34-K40 PolarHBondContact O-NZ 2.85Å; G34-G86 WeakPolarHBondContact O-CA 3.34Å; G34-T108 WeakPolarHBondContact CA-O 3.4Å
35	E	78.3	Confident	85.7	Confident	57 Å²	57	30.9 Å²	30.9	27%	0.266	17%	0.166	S	C	.	.	S	Bend	trans	-54.7	164.2	178.9	-86.9	-40.7	122.2	0	0	114.6	G37 V38 K40 R90 E123	E35-G37 PolarHBondContact O-N 3.4Å; E35-V38 HydrophobicContact CB-CG1 3.85Å; E35-V38 WeakPolarHBondContact O-CG2 3.49Å; E35-K40 PolarHBondContact O-NZ 3.4Å; E35-R90 IonicContact OE1-CZ 3.44Å; E35-R90 IonicContact OE1-NH1 3.13Å; E35-R90 PolarHBondContact OE1-NH1 2.9Å; E35-R90 VanDerWaalsContact OE1-NH1 3.13Å; E35-R90 IonicContact OE1-NH2 2.77Å; E35-R90 PolarHBondContact OE1-NH2 3.48Å; E35-E123 VanDerWaalsContact CG-OE1 3.26Å; E35-E123 WeakPolarHBondContact CG-OE1 3.49Å; E35-E123 PolarHBondContact N-OE1 3.29Å
36	L	80.3	Confident	85.8	Confident	90 Å²	90	30.5 Å²	30.5	47%	0.471	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	135.1	173	-166.9	72.2	0	0	0	110.6	V38 Y56 A58	L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.05Å; L36-Y56 WeakPolarHBondContact CD1-OH 3.3Å; L36-Y56 VanDerWaalsContact CG-OH 3.25Å; L36-Y56 WeakPolarHBondContact CG-OH 3.5Å; L36-A58 HydrophobicContact CD1-CB 4.47Å
37	G	79.1	Confident	85.9	Confident	42 Å²	42	29.4 Å²	29.4	43%	0.433	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-6.9	173.4	0	0	0	0	0	116.5	E35 G39	E35-G37 PolarHBondContact O-N 3.4Å; G37-G39 PolarHBondContact O-N 3.5Å
38	V	81.8	Confident	86.2	Confident	9 Å²	9	28.2 Å²	28.2	6%	0.055	15%	0.154	C	C	.	.	S	Bend	trans	-67.9	-16.4	179.7	-57.3	0	0	0	0	114.5	E35 L36 K40 T108 Q110 N146	E35-V38 HydrophobicContact CB-CG1 3.85Å; E35-V38 WeakPolarHBondContact O-CG2 3.49Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.05Å; V38-K40 HydrophobicContact CG2-CG 4.06Å; V38-T108 WeakPolarHBondContact CG2-OG1 2.97Å; V38-Q110 HydrophobicContact CG1-CG 4.41Å; V38-N146 WeakPolarHBondContact O-CB 3.42Å; V38-N146 PolarHBondContact O-ND2 3.07Å; V38-N146 VanDerWaalsContact O-ND2 3.16Å
39	G	85.6	Confident	86.4	Confident	11 Å²	11	33.6 Å²	33.6	11%	0.113	18%	0.179	C	C	.	.	S	Bend	trans	106.9	20.9	174.4	0	0	0	0	0	116.6	G37 T41 S42 I43 F178	G37-G39 PolarHBondContact O-N 3.5Å; G39-T41 PolarHBondContact O-N 3.22Å; G39-S42 CarbonylContact O-C 3.58Å; G39-S42 WeakPolarHBondContact O-CA 3.39Å; G39-S42 WeakPolarHBondContact O-CB 3.42Å; G39-S42 PolarHBondContact O-N 2.84Å; G39-I43 PolarHBondContact O-N 3.45Å; G39-F178 WeakPolarHBondContact O-CD2 3.43Å; G39-F178 WeakPolarHBondContact O-CE2 3.24Å
40	K	88.9	Confident	86.5	Confident	10 Å²	10	33.4 Å²	33.4	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-47.3	-56	175.3	-65.7	-178	-66.9	-66.1	0	113.7	V32 G34 E35 V38 S42 I43 I44 D83 I84 T108	V32-K40 HydrophobicContact CG1-CB 3.96Å; V32-K40 HydrophobicContact CG1-CG 3.98Å; G34-K40 PolarHBondContact O-NZ 2.85Å; E35-K40 PolarHBondContact O-NZ 3.4Å; V38-K40 HydrophobicContact CG2-CG 4.06Å; K40-S42 VanDerWaalsContact C-N 3.26Å; K40-S42 PolarHBondContact O-N 3.01Å; K40-I43 WeakPolarHBondContact O-CG2 3.44Å; K40-I43 PolarHBondContact O-N 3.11Å; K40-I44 WeakPolarHBondContact O-CG1 3.45Å; K40-I44 PolarHBondContact O-N 2.75Å; K40-I44 VanDerWaalsContact O-N 3.1Å; K40-D83 VanDerWaalsContact CB-OD1 3.29Å; K40-D83 WeakPolarHBondContact CB-OD1 3.28Å; K40-I84 WeakPolarHBondContact CE-O 3.37Å; K40-T108 HydrophobicContact CG-CG2 4.49Å; K40-T108 WeakPolarHBondContact CG-OG1 3.39Å
41	T	89.1	Confident	86.6	Confident	27 Å²	27	38.6 Å²	38.6	17%	0.166	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-37.3	177.1	-40.9	0	0	0	0	111.7	G39 I44 K45 T59 D83	G39-T41 PolarHBondContact O-N 3.22Å; T41-I44 PolarHBondContact O-N 3.42Å; T41-K45 HydrophobicContact CG2-CD 4.11Å; T41-K45 WeakPolarHBondContact O-CB 3.47Å; T41-K45 VanDerWaalsContact O-CG 3.3Å; T41-K45 WeakPolarHBondContact O-CG 3.2Å; T41-K45 PolarHBondContact O-N 3.23Å; T41-T59 PolarHBondContact OG1-OG1 2.79Å; T41-D83 WeakPolarHBondContact CA-OD2 3.47Å; T41-D83 VanDerWaalsContact CB-OD2 3.3Å; T41-D83 WeakPolarHBondContact CB-OD2 3.38Å; T41-D83 PolarHBondContact OG1-OD2 2.9Å
42	S	89.9	Confident	86.5	Confident	31 Å²	31	41 Å²	41	22%	0.217	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-41.4	-179.7	-54.8	0	0	0	0	112.1	G39 K40 R46	G39-S42 CarbonylContact O-C 3.58Å; G39-S42 WeakPolarHBondContact O-CA 3.39Å; G39-S42 WeakPolarHBondContact O-CB 3.42Å; G39-S42 PolarHBondContact O-N 2.84Å; K40-S42 VanDerWaalsContact C-N 3.26Å; K40-S42 PolarHBondContact O-N 3.01Å; S42-R46 WeakPolarHBondContact O-CB 3.3Å; S42-R46 PolarHBondContact O-N 2.6Å
43	I	89.1	Confident	86.3	Confident	3 Å²	3	44 Å²	44	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-39.7	175.6	-177.6	159.9	0	0	0	111.6	V32 G39 K40 R46 Y47 M106 T108 L144 F178 V184	V32-I43 HydrophobicContact CG1-CG2 4.44Å; G39-I43 PolarHBondContact O-N 3.45Å; K40-I43 WeakPolarHBondContact O-CG2 3.44Å; K40-I43 PolarHBondContact O-N 3.11Å; I43-R46 PolarHBondContact O-N 2.75Å; I43-Y47 VanDerWaalsContact O-CB 3.28Å; I43-Y47 WeakPolarHBondContact O-CB 3.38Å; I43-Y47 PolarHBondContact O-N 3.28Å; I43-M106 HydrophobicContact CB-CE 4.38Å; I43-M106 HydrophobicContact CD1-CE 3.37Å; I43-M106 HydrophobicContact CD1-SD 4.35Å; I43-M106 HydrophobicContact CG1-CE 3.74Å; I43-M106 HydrophobicContact CG2-CE 3.71Å; I43-T108 HydrophobicContact CG2-CG2 4.16Å; I43-L144 HydrophobicContact CD1-CD1 3.34Å; I43-F178 HydrophobicContact CB-CD1 3.87Å; I43-F178 HydrophobicContact CB-CD2 3.85Å; I43-F178 HydrophobicContact CB-CE1 3.84Å; I43-F178 HydrophobicContact CB-CE2 3.79Å; I43-F178 HydrophobicContact CB-CG 3.9Å; I43-F178 HydrophobicContact CB-CZ 3.79Å; I43-F178 HydrophobicContact CD1-CD1 3.88Å; I43-F178 HydrophobicContact CD1-CE1 3.36Å; I43-F178 HydrophobicContact CD1-CZ 3.82Å; I43-F178 HydrophobicContact CG1-CD1 4.09Å; I43-F178 HydrophobicContact CG1-CE1 4Å; I43-F178 HydrophobicContact CG1-CZ 4.35Å; I43-F178 HydrophobicContact CG2-CE2 4.1Å; I43-F178 HydrophobicContact CG2-CZ 4.15Å; I43-V184 HydrophobicContact CD1-CG1 4.19Å; I43-V184 HydrophobicContact CD1-CG2 4.38Å; I43-V184 HydrophobicContact CG1-CG1 3.89Å; I43-V184 HydrophobicContact CG1-CG2 4.44Å
44	I	91.5	Very high	86	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.062	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-49.4	176.5	-68.8	167.5	0	0	0	110.2	V32 K40 T41 R46 Y47 V48 A65 L81 D83	V32-I44 HydrophobicContact CB-CD1 3.9Å; V32-I44 HydrophobicContact CB-CG1 4.47Å; V32-I44 HydrophobicContact CG1-CD1 4.29Å; V32-I44 HydrophobicContact CG2-CD1 3.71Å; V32-I44 HydrophobicContact CG2-CG1 3.93Å; K40-I44 WeakPolarHBondContact O-CG1 3.45Å; K40-I44 PolarHBondContact O-N 2.75Å; K40-I44 VanDerWaalsContact O-N 3.1Å; T41-I44 PolarHBondContact O-N 3.42Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; I44-Y47 PolarHBondContact O-N 2.8Å; I44-V48 HydrophobicContact CG2-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.14Å; I44-V48 WeakPolarHBondContact O-CG2 3.37Å; I44-V48 PolarHBondContact O-N 2.94Å; I44-A65 HydrophobicContact CG2-CB 3.53Å; I44-L81 HydrophobicContact CG1-CB 4.4Å; I44-L81 HydrophobicContact CG1-CD1 4.4Å; I44-L81 HydrophobicContact CG2-CB 4.32Å; I44-L81 HydrophobicContact CG2-CD1 4.04Å; I44-D83 HydrophobicContact CD1-CB 3.41Å; I44-D83 VanDerWaalsContact CD1-CB 3.41Å
45	K	91.1	Very high	86	Confident	97 Å²	97	57.6 Å²	57.6	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-39.5	177.4	-75.1	179.6	177.9	178.6	0	112.3	T41 H49 Q50 L51	T41-K45 HydrophobicContact CG2-CD 4.11Å; T41-K45 WeakPolarHBondContact O-CB 3.47Å; T41-K45 VanDerWaalsContact O-CG 3.3Å; T41-K45 WeakPolarHBondContact O-CG 3.2Å; T41-K45 PolarHBondContact O-N 3.23Å; K45-H49 WeakPolarHBondContact O-CA 3.17Å; K45-H49 WeakPolarHBondContact O-CB 3.13Å; K45-H49 PolarHBondContact O-N 3.44Å; K45-Q50 PolarHBondContact O-N 2.87Å; K45-L51 CarbonylContact C-O 3.59Å; K45-L51 PolarHBondContact O-N 2.8Å
46	R	91.8	Very high	85.7	Confident	35 Å²	35	61.3 Å²	61.3	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-51	175.1	173.8	55.6	73	-164.9	6.5	110.4	S42 I43 I44 Q50 L51 F178 Q179 N181 V184	S42-R46 WeakPolarHBondContact O-CB 3.3Å; S42-R46 PolarHBondContact O-N 2.6Å; I43-R46 PolarHBondContact O-N 2.75Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact NH1-C 3.26Å; R46-Q50 PolarHBondContact NH1-O 2.79Å; R46-Q50 WeakPolarHBondContact O-CA 3.35Å; R46-Q50 PolarHBondContact O-N 3.48Å; R46-Q50 PolarHBondContact O-OE1 3.15Å; R46-L51 VanDerWaalsContact CA-O 3.29Å; R46-L51 WeakPolarHBondContact CA-O 3.36Å; R46-L51 PolarHBondContact N-O 2.78Å; R46-F178 WeakPolarHBondContact CG-O 3.32Å; R46-F178 PolarHBondContact NE-O 2.86Å; R46-Q179 PolarHBondContact NH2-O 2.74Å; R46-N181 VanDerWaalsContact CD-OD1 3.3Å; R46-N181 WeakPolarHBondContact CD-OD1 3.32Å; R46-N181 HydrophobicContact CG-CB 4.42Å; R46-N181 VanDerWaalsContact CG-OD1 3.26Å; R46-N181 WeakPolarHBondContact CG-OD1 3.34Å; R46-V184 HydrophobicContact CG-CG1 4.22Å; R46-V184 HydrophobicContact CG-CG2 4.13Å
47	Y	91.9	Very high	85.5	Confident	17 Å²	17	67.2 Å²	67.2	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-69.3	-40.2	-175.2	-175.1	-124.9	0	0	0	113.3	I43 I44 K67 I69 L79 L81 V184 D185 A188	I43-Y47 VanDerWaalsContact O-CB 3.28Å; I43-Y47 WeakPolarHBondContact O-CB 3.38Å; I43-Y47 PolarHBondContact O-N 3.28Å; I44-Y47 PolarHBondContact O-N 2.8Å; Y47-K67 HydrophobicContact CD1-CB 4.4Å; Y47-K67 HydrophobicContact CD1-CD 4.3Å; Y47-K67 HydrophobicContact CD1-CG 4.19Å; Y47-K67 HydrophobicContact CE1-CB 3.97Å; Y47-K67 HydrophobicContact CE1-CD 4.05Å; Y47-K67 HydrophobicContact CE1-CG 3.57Å; Y47-K67 PolarHBondContact O-NZ 3.37Å; Y47-I69 WeakPolarHBondContact OH-CD1 3.46Å; Y47-L79 HydrophobicContact CE1-CD1 4.2Å; Y47-L81 HydrophobicContact CD1-CD1 3.99Å; Y47-V184 HydrophobicContact CD2-CG1 4.08Å; Y47-V184 HydrophobicContact CG-CG1 4.29Å; Y47-D185 WeakPolarHBondContact CE2-OD1 3.36Å; Y47-A188 HydrophobicContact CD1-CB 4.38Å; Y47-A188 HydrophobicContact CD2-CB 4.21Å; Y47-A188 HydrophobicContact CE1-CB 3.78Å; Y47-A188 HydrophobicContact CE2-CB 3.59Å; Y47-A188 WeakPolarHBondContact OH-CB 3.45Å
48	V	93.2	Very high	85.4	Confident	26 Å²	26	67.8 Å²	67.8	16%	0.158	33%	0.327	C	S	.	.	H	α-helix	trans	-81.8	-50.7	-176.6	179.4	0	0	0	0	111.5	I44 A65 L66 K67 L81	I44-V48 HydrophobicContact CG2-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.14Å; I44-V48 WeakPolarHBondContact O-CG2 3.37Å; I44-V48 PolarHBondContact O-N 2.94Å; V48-A65 HydrophobicContact CG1-CB 4.48Å; V48-A65 HydrophobicContact CG2-CB 3.91Å; V48-L66 WeakPolarHBondContact CG1-O 3.38Å; V48-K67 HydrophobicContact CG2-CB 4.3Å; V48-L81 HydrophobicContact CG2-CD1 3.49Å; V48-L81 VanDerWaalsContact CG2-CD1 3.49Å
49	H	89.9	Confident	85.2	Confident	113 Å²	113	68.6 Å²	68.6	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-106.5	-5.1	-169	-56.8	-65.3	0	0	0	113.9	K45 L51	K45-H49 WeakPolarHBondContact O-CA 3.17Å; K45-H49 WeakPolarHBondContact O-CB 3.13Å; K45-H49 PolarHBondContact O-N 3.44Å; H49-L51 HydrophobicContact CB-CB 4.22Å; H49-L51 HydrophobicContact CB-CD1 3.96Å; H49-L51 HydrophobicContact CB-CG 3.94Å; H49-L51 PolarHBondContact O-N 3.17Å
50	Q	86.8	Confident	84.8	Confident	89 Å²	89	76 Å²	76	42%	0.416	37%	0.368	S	S	.	.	S	Bend	trans	57	30.5	-170.3	-58.8	-64.6	-3	0	0	113.1	K45 R46	K45-Q50 PolarHBondContact O-N 2.87Å; R46-Q50 VanDerWaalsContact NH1-C 3.26Å; R46-Q50 PolarHBondContact NH1-O 2.79Å; R46-Q50 WeakPolarHBondContact O-CA 3.35Å; R46-Q50 PolarHBondContact O-N 3.48Å; R46-Q50 PolarHBondContact O-OE1 3.15Å
51	L	87	Confident	84.3	Confident	112 Å²	112	77 Å²	77	59%	0.586	38%	0.382	S	S	*	.			trans	-113.8	146.4	-180	-64.6	177.7	0	0	0	111.4	K45 R46 H49	K45-L51 CarbonylContact C-O 3.59Å; K45-L51 PolarHBondContact O-N 2.8Å; R46-L51 VanDerWaalsContact CA-O 3.29Å; R46-L51 WeakPolarHBondContact CA-O 3.36Å; R46-L51 PolarHBondContact N-O 2.78Å; H49-L51 HydrophobicContact CB-CB 4.22Å; H49-L51 HydrophobicContact CB-CD1 3.96Å; H49-L51 HydrophobicContact CB-CG 3.94Å; H49-L51 PolarHBondContact O-N 3.17Å
52	F	84.1	Confident	83.9	Confident	58 Å²	58	78.3 Å²	78.3	25%	0.254	39%	0.389	S	S	.	.			trans	-135.7	140.6	169.2	178.6	-97.2	0	0	0	109.4	Q54 F178 Q179	F52-Q54 HydrophobicContact CD1-CG 4.46Å; F52-Q54 HydrophobicContact CE1-CG 3.73Å; F52-F178 HydrophobicContact CD2-CB 4.49Å; F52-F178 HydrophobicContact CE2-CB 4.4Å; F52-Q179 HydrophobicContact CD1-CB 4.1Å; F52-Q179 HydrophobicContact CD1-CG 3.91Å; F52-Q179 HydrophobicContact CD2-CB 4.37Å; F52-Q179 HydrophobicContact CE1-CB 3.79Å; F52-Q179 HydrophobicContact CE1-CG 3.73Å; F52-Q179 HydrophobicContact CE2-CB 4.09Å; F52-Q179 HydrophobicContact CG-CB 4.38Å; F52-Q179 HydrophobicContact CZ-CB 3.79Å; F52-Q179 HydrophobicContact CZ-CG 4.25Å
53	S	80.3	Confident	83.7	Confident	63 Å²	63	80.8 Å²	80.8	44%	0.441	40%	0.4	S	S	.	.			trans	-128.1	132.3	174.3	177.8	0	0	0	0	108.8	H55	S53-H55 VanDerWaalsContact C-N 3.26Å; S53-H55 PolarHBondContact OG-N 2.9Å
54	Q	77.3	Confident	83.5	Confident	150 Å²	150	85.6 Å²	85.6	70%	0.701	42%	0.421	S	S	*	.	S	Bend	trans	-75.4	-19.3	172.5	-68.2	-178.4	7	0	0	112	F52 Y56	F52-Q54 HydrophobicContact CD1-CG 4.46Å; F52-Q54 HydrophobicContact CE1-CG 3.73Å; Q54-Y56 PolarHBondContact O-N 2.79Å
55	H	78.8	Confident	83.4	Confident	158 Å²	158	85.6 Å²	85.6	73%	0.731	42%	0.423	S	S	*	.	S	Bend	trans	-74.3	101.6	178.6	-61.6	-60.6	0	0	0	110	S53 R57	S53-H55 VanDerWaalsContact C-N 3.26Å; S53-H55 PolarHBondContact OG-N 2.9Å; H55-R57 PolarHBondContact O-N 2.9Å
56	Y	73	Confident	83.5	Confident	135 Å²	135	84.4 Å²	84.4	53%	0.529	42%	0.421	S	S	.	.			trans	-63.2	121.3	174.4	179.3	-105.2	0	0	0	110.4	L36 Q54 A58	L36-Y56 WeakPolarHBondContact CD1-OH 3.3Å; L36-Y56 VanDerWaalsContact CG-OH 3.25Å; L36-Y56 WeakPolarHBondContact CG-OH 3.5Å; Q54-Y56 PolarHBondContact O-N 2.79Å; Y56-A58 HydrophobicContact CE1-CB 4Å; Y56-A58 WeakPolarHBondContact OH-CA 3.4Å; Y56-A58 WeakPolarHBondContact OH-CB 3.5Å
57	R	75.8	Confident	83.6	Confident	214 Å²	214	84.8 Å²	84.8	81%	0.808	42%	0.423	S	S	*	.			trans	-122.2	121.2	165.6	-69.6	-173.1	177.5	-179	-0.3	107.4	H55 T59	H55-R57 PolarHBondContact O-N 2.9Å; R57-T59 PolarHBondContact O-N 2.86Å
58	A	77.4	Confident	83.6	Confident	53 Å²	53	87.4 Å²	87.4	44%	0.438	44%	0.441	S	S	.	.			trans	-64.9	131.8	177.3	0	0	0	0	0	110.2	L36 Y56 I60	L36-A58 HydrophobicContact CD1-CB 4.47Å; Y56-A58 HydrophobicContact CE1-CB 4Å; Y56-A58 WeakPolarHBondContact OH-CA 3.4Å; Y56-A58 WeakPolarHBondContact OH-CB 3.5Å; A58-I60 PolarHBondContact O-N 3.12Å
59	T	77.1	Confident	83.6	Confident	27 Å²	27	87.4 Å²	87.4	17%	0.166	44%	0.44	C	S	.	.			trans	-63.9	128.2	170.3	-45.7	0	0	0	0	109	T41 R57 D63 D83 A85	T41-T59 PolarHBondContact OG1-OG1 2.79Å; R57-T59 PolarHBondContact O-N 2.86Å; T59-D63 HydrophobicContact CG2-CB 4.13Å; T59-D83 PolarHBondContact OG1-OD2 2.98Å; T59-A85 HydrophobicContact CG2-CB 4.39Å; T59-A85 WeakPolarHBondContact O-CB 3.15Å
60	I	78	Confident	83.7	Confident	165 Å²	165	88.4 Å²	88.4	85%	0.846	45%	0.449	S	S	*	.			trans	-98.2	112.5	173.1	-59.1	174.9	0	0	0	106.8	A58 V62	A58-I60 PolarHBondContact O-N 3.12Å; I60-V62 PolarHBondContact O-N 2.85Å
61	G	77.3	Confident	84	Confident	33 Å²	33	87.5 Å²	87.5	34%	0.34	44%	0.442	S	S	.	.	S	Bend	trans	75	-117.1	-178.8	0	0	0	0	0	113.2	A85	G61-A85 WeakPolarHBondContact O-CB 3.35Å; G61-A85 PolarHBondContact O-N 2.79Å
62	V	79.9	Confident	84.2	Confident	53 Å²	53	86 Å²	86	32%	0.321	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.1	-177.9	174.1	0	0	0	0	110	I60 W82 D83 I84 L94	I60-V62 PolarHBondContact O-N 2.85Å; V62-W82 HydrophobicContact CG1-CE3 3.91Å; V62-W82 HydrophobicContact CG1-CZ3 4.48Å; V62-D83 WeakPolarHBondContact CA-O 3.45Å; V62-I84 HydrophobicContact CB-CD1 4.25Å; V62-I84 HydrophobicContact CG1-CD1 3.78Å; V62-I84 HydrophobicContact CG2-CD1 3.49Å; V62-I84 VanDerWaalsContact CG2-CD1 3.49Å; V62-I84 HydrophobicContact CG2-CG2 4.29Å; V62-L94 HydrophobicContact CG2-CD1 3.59Å; V62-L94 HydrophobicContact CG2-CD2 3.48Å; V62-L94 VanDerWaalsContact CG2-CD2 3.48Å; V62-L94 HydrophobicContact CG2-CG 4.19Å
63	D	85.6	Confident	84.4	Confident	84 Å²	84	88.3 Å²	88.3	45%	0.449	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.1	172.6	-164.1	9.4	0	0	0	110.2	T59 D83	T59-D63 HydrophobicContact CG2-CB 4.13Å; D63-D83 HydrophobicContact CB-CB 4.07Å; D63-D83 PolarHBondContact N-O 3.28Å; D63-D83 PolarHBondContact O-N 2.76Å
64	F	85.4	Confident	84.9	Confident	104 Å²	104	90.1 Å²	90.1	46%	0.456	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	-173.5	168.4	-94.8	0	0	0	110.8	L66 Q80	F64-L66 HydrophobicContact CE1-CB 4.09Å; F64-L66 HydrophobicContact CZ-CB 3.95Å; F64-L66 HydrophobicContact CZ-CD1 4.38Å; F64-Q80 HydrophobicContact CE2-CB 3.69Å; F64-Q80 HydrophobicContact CE2-CG 3.67Å; F64-Q80 HydrophobicContact CZ-CG 4.11Å
65	A	90.8	Very high	85.6	Confident	12 Å²	12	83.9 Å²	83.9	10%	0.099	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.2	168.4	0	0	0	0	0	111.3	I44 V48 L81	I44-A65 HydrophobicContact CG2-CB 3.53Å; V48-A65 HydrophobicContact CG1-CB 4.48Å; V48-A65 HydrophobicContact CG2-CB 3.91Å; A65-L81 HydrophobicContact CB-CB 4.41Å; A65-L81 PolarHBondContact N-O 3.32Å; A65-L81 WeakPolarHBondContact O-CB 3.1Å; A65-L81 PolarHBondContact O-N 3.46Å
66	L	92.1	Very high	86.2	Confident	72 Å²	72	77.5 Å²	77.5	38%	0.377	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	176.8	-175	69.6	0	0	0	109.8	V48 F64 V68 R78 L79 Q80	V48-L66 WeakPolarHBondContact CG1-O 3.38Å; F64-L66 HydrophobicContact CE1-CB 4.09Å; F64-L66 HydrophobicContact CZ-CB 3.95Å; F64-L66 HydrophobicContact CZ-CD1 4.38Å; L66-V68 HydrophobicContact CD2-CG2 4.49Å; L66-R78 HydrophobicContact CD1-CB 4.27Å; L66-L79 WeakPolarHBondContact CA-O 3.3Å; L66-Q80 HydrophobicContact CD1-CG 4.12Å
67	K	93.4	Very high	87.1	Confident	42 Å²	42	71 Å²	71	18%	0.183	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.3	167.2	-175.6	77.9	178.6	-173.6	0	109.6	Y47 V48 I69 L79	Y47-K67 HydrophobicContact CD1-CB 4.4Å; Y47-K67 HydrophobicContact CD1-CD 4.3Å; Y47-K67 HydrophobicContact CD1-CG 4.19Å; Y47-K67 HydrophobicContact CE1-CB 3.97Å; Y47-K67 HydrophobicContact CE1-CD 4.05Å; Y47-K67 HydrophobicContact CE1-CG 3.57Å; Y47-K67 PolarHBondContact O-NZ 3.37Å; V48-K67 HydrophobicContact CG2-CB 4.3Å; K67-I69 HydrophobicContact CG-CD1 4.39Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; K67-L79 HydrophobicContact CB-CB 4.25Å; K67-L79 PolarHBondContact N-O 3.14Å; K67-L79 PolarHBondContact O-N 3.08Å
68	V	93.2	Very high	87.9	Confident	73 Å²	73	63.2 Å²	63.2	44%	0.442	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.6	169.2	-175.5	0	0	0	0	108.8	L66 L76 R78	L66-V68 HydrophobicContact CD2-CG2 4.49Å; V68-L76 HydrophobicContact CG1-CD1 3.59Å; V68-L76 HydrophobicContact CG1-CG 4.29Å; V68-R78 HydrophobicContact CG2-CG 4.41Å
69	I	92.8	Very high	88.5	Confident	26 Å²	26	60.9 Å²	60.9	13%	0.133	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.6	-178.1	-50.9	169.6	0	0	0	107.9	Y47 K67 W71 V77 L79 V192	Y47-I69 WeakPolarHBondContact OH-CD1 3.46Å; K67-I69 HydrophobicContact CG-CD1 4.39Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; I69-W71 HydrophobicContact CG2-CE3 4.34Å; I69-W71 PolarHBondContact O-N 2.96Å; I69-W71 VanDerWaalsContact O-N 3.17Å; I69-V77 HydrophobicContact CB-CB 4.33Å; I69-V77 PolarHBondContact N-O 3.26Å; I69-V77 PolarHBondContact O-N 3.33Å; I69-L79 HydrophobicContact CD1-CD1 3.59Å; I69-L79 HydrophobicContact CD1-CG 3.95Å; I69-V192 HydrophobicContact CD1-CG2 4.15Å
70	N	92.7	Very high	89.2	Confident	134 Å²	134	61.4 Å²	61.4	72%	0.717	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	100.3	165.3	-62.2	-27.5	0	0	0	107	L76	N70-L76 WeakPolarHBondContact OD1-CD1 3.3Å
71	W	92.1	Very high	89.7	Confident	70 Å²	70	54 Å²	54	27%	0.265	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-49.3	-172.2	-175.8	-101.5	0	0	0	111.3	I69 T75 V77 R189 V192 E193 L196	I69-W71 HydrophobicContact CG2-CE3 4.34Å; I69-W71 PolarHBondContact O-N 2.96Å; I69-W71 VanDerWaalsContact O-N 3.17Å; W71-T75 HydrophobicContact CB-CG2 4.04Å; W71-T75 WeakPolarHBondContact CB-O 3.29Å; W71-T75 HydrophobicContact CG-CG2 4.42Å; W71-T75 PolarHBondContact N-O 2.85Å; W71-V77 HydrophobicContact CB-CG2 3.98Å; W71-V77 HydrophobicContact CG-CG2 4.45Å; W71-R189 HydrophobicContact CH2-CG 3.59Å; W71-R189 HydrophobicContact CZ3-CG 3.78Å; W71-V192 HydrophobicContact CD2-CG1 4.26Å; W71-V192 HydrophobicContact CE3-CB 4.46Å; W71-V192 HydrophobicContact CE3-CG1 3.64Å; W71-V192 HydrophobicContact CH2-CG1 4.31Å; W71-V192 HydrophobicContact CZ3-CB 4.01Å; W71-V192 HydrophobicContact CZ3-CG1 3.65Å; W71-E193 HydrophobicContact CH2-CG 3.34Å; W71-E193 HydrophobicContact CZ2-CG 3.49Å; W71-E193 VanDerWaalsContact CZ2-CG 3.49Å; W71-L196 HydrophobicContact CD2-CD1 3.97Å; W71-L196 HydrophobicContact CG-CD1 4.11Å; W71-L196 HydrophobicContact CZ2-CD1 4.48Å
72	D	90.4	Very high	90.2	Very high	81 Å²	81	55.4 Å²	55.4	43%	0.433	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	-171.4	172.4	61.2	45	0	0	0	109.8	K74 T75	D72-K74 PolarHBondContact O-N 2.86Å; D72-K74 VanDerWaalsContact O-N 3.15Å; D72-K74 WeakPolarHBondContact OD1-CA 3.33Å; D72-K74 PolarHBondContact OD1-N 2.79Å; D72-T75 PolarHBondContact N-O 2.83Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 WeakPolarHBondContact OD1-CB 3.35Å; D72-T75 PolarHBondContact OD1-N 3.4Å; D72-T75 PolarHBondContact OD1-OG1 2.9Å; D72-T75 PolarHBondContact OD2-OG1 2.78Å; D72-T75 VanDerWaalsContact OD2-OG1 3.12Å
73	S	89.2	Confident	90.5	Very high	105 Å²	105	53 Å²	53	73%	0.734	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.7	-177.9	57.1	0	0	0	0	114.6
74	K	91.6	Very high	90.3	Very high	101 Å²	101	49.2 Å²	49.2	44%	0.439	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	1.1	-176.8	-61.5	-171.4	-179.8	-169.6	0	113.1	S21 C23 K24 D72	S21-K74 PolarHBondContact OG-NZ 2.87Å; C23-K74 CarbonylContact C-O 3.58Å; C23-K74 VanDerWaalsContact CA-O 3.31Å; C23-K74 WeakPolarHBondContact CA-O 3.46Å; K24-K74 PolarHBondContact N-O 3.46Å; D72-K74 PolarHBondContact O-N 2.86Å; D72-K74 VanDerWaalsContact O-N 3.15Å; D72-K74 WeakPolarHBondContact OD1-CA 3.33Å; D72-K74 PolarHBondContact OD1-N 2.79Å
75	T	90.8	Very high	89.9	Confident	19 Å²	19	44.8 Å²	44.8	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.8	-171.1	-50.8	0	0	0	0	111.5	K24 Y26 W71 D72 V77	K24-T75 CarbonylContact O-C 3.35Å; K24-T75 WeakPolarHBondContact O-CA 3.16Å; Y26-T75 HydrophobicContact CD2-CG2 3.77Å; Y26-T75 HydrophobicContact CE2-CG2 3.78Å; W71-T75 HydrophobicContact CB-CG2 4.04Å; W71-T75 WeakPolarHBondContact CB-O 3.29Å; W71-T75 HydrophobicContact CG-CG2 4.42Å; W71-T75 PolarHBondContact N-O 2.85Å; D72-T75 PolarHBondContact N-O 2.83Å; D72-T75 PolarHBondContact O-N 2.9Å; D72-T75 WeakPolarHBondContact OD1-CB 3.35Å; D72-T75 PolarHBondContact OD1-N 3.4Å; D72-T75 PolarHBondContact OD1-OG1 2.9Å; D72-T75 PolarHBondContact OD2-OG1 2.78Å; D72-T75 VanDerWaalsContact OD2-OG1 3.12Å; T75-V77 HydrophobicContact CG2-CG2 4.25Å
76	L	92	Very high	88.7	Confident	24 Å²	24	44.3 Å²	44.3	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.6	174.2	-172.2	64.5	0	0	0	109.7	K24 E25 Y26 V68 N70	K24-L76 PolarHBondContact O-N 3.4Å; E25-L76 WeakPolarHBondContact CA-O 3.26Å; E25-L76 HydrophobicContact CG-CB 4.32Å; E25-L76 HydrophobicContact CG-CD2 4.33Å; E25-L76 HydrophobicContact CG-CG 4.47Å; E25-L76 VanDerWaalsContact OE1-CD2 3.26Å; E25-L76 WeakPolarHBondContact OE1-CD2 3.26Å; Y26-L76 PolarHBondContact N-O 2.96Å; V68-L76 HydrophobicContact CG1-CD1 3.59Å; V68-L76 HydrophobicContact CG1-CG 4.29Å; N70-L76 WeakPolarHBondContact OD1-CD1 3.3Å
77	V	92.1	Very high	87.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.7	179.6	178	0	0	0	0	110.1	F28 I69 W71 T75 L79 V192 L196	F28-V77 HydrophobicContact CD2-CG1 3.64Å; F28-V77 HydrophobicContact CE2-CG1 3.81Å; F28-V77 HydrophobicContact CE2-CG2 4.49Å; I69-V77 HydrophobicContact CB-CB 4.33Å; I69-V77 PolarHBondContact N-O 3.26Å; I69-V77 PolarHBondContact O-N 3.33Å; W71-V77 HydrophobicContact CB-CG2 3.98Å; W71-V77 HydrophobicContact CG-CG2 4.45Å; T75-V77 HydrophobicContact CG2-CG2 4.25Å; V77-L79 HydrophobicContact CG1-CD2 3.66Å; V77-L79 HydrophobicContact CG1-CG 4.23Å; V77-V192 HydrophobicContact CG1-CG1 4.13Å; V77-V192 HydrophobicContact CG2-CG1 4.3Å; V77-L196 HydrophobicContact CG2-CD1 4.35Å
78	R	91.9	Very high	85.5	Confident	50 Å²	50	47.3 Å²	47.3	19%	0.189	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.7	171	-63.7	-168.3	-175.9	175.9	14.6	109.7	E25 Y26 L27 F28 L66 V68 Y204	E25-R78 WeakPolarHBondContact OE1-CD 3.36Å; E25-R78 IonicContact OE1-CZ 2.97Å; E25-R78 IonicContact OE1-NE 2.6Å; E25-R78 PolarHBondContact OE1-NE 3.33Å; E25-R78 IonicContact OE1-NH2 2.75Å; E25-R78 PolarHBondContact OE1-NH2 3.44Å; E25-R78 IonicContact OE2-NH2 3.61Å; Y26-R78 PolarHBondContact O-N 2.93Å; L27-R78 WeakPolarHBondContact CA-O 3.17Å; L27-R78 HydrophobicContact CD1-CB 3.58Å; F28-R78 PolarHBondContact N-O 2.93Å; L66-R78 HydrophobicContact CD1-CB 4.27Å; V68-R78 HydrophobicContact CG2-CG 4.41Å; R78-Y204 PolarHBondContact NH1-OH 2.8Å
79	L	90.7	Very high	83.9	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117	174.1	-55.3	-174.3	0	0	0	110.5	F28 V30 Y47 L66 K67 I69 V77 L81 V192	F28-L79 HydrophobicContact CB-CD2 3.76Å; F28-L79 HydrophobicContact CD2-CD2 3.82Å; F28-L79 HydrophobicContact CG-CD2 4.3Å; F28-L79 WeakPolarHBondContact O-CA 3.31Å; V30-L79 HydrophobicContact CG2-CD2 4.32Å; Y47-L79 HydrophobicContact CE1-CD1 4.2Å; L66-L79 WeakPolarHBondContact CA-O 3.3Å; K67-L79 HydrophobicContact CB-CB 4.25Å; K67-L79 PolarHBondContact N-O 3.14Å; K67-L79 PolarHBondContact O-N 3.08Å; I69-L79 HydrophobicContact CD1-CD1 3.59Å; I69-L79 HydrophobicContact CD1-CG 3.95Å; V77-L79 HydrophobicContact CG1-CD2 3.66Å; V77-L79 HydrophobicContact CG1-CG 4.23Å; L79-L81 HydrophobicContact CB-CD2 4.21Å; L79-V192 HydrophobicContact CD1-CG2 3.76Å; L79-V192 HydrophobicContact CD2-CG2 3.93Å; L79-V192 HydrophobicContact CG-CG2 4.34Å
80	Q	90.4	Very high	82.2	Confident	38 Å²	38	46.6 Å²	46.6	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.9	166.3	-68.4	-169.9	-23.1	0	0	108.4	L27 F28 K29 V30 F64 L66	L27-Q80 HydrophobicContact CD1-CG 3.73Å; L27-Q80 HydrophobicContact CG-CG 4.48Å; F28-Q80 PolarHBondContact O-N 2.72Å; K29-Q80 HydrophobicContact CG-CB 4.3Å; V30-Q80 PolarHBondContact N-O 2.66Å; F64-Q80 HydrophobicContact CE2-CB 3.69Å; F64-Q80 HydrophobicContact CE2-CG 3.67Å; F64-Q80 HydrophobicContact CZ-CG 4.11Å; L66-Q80 HydrophobicContact CD1-CG 4.12Å
81	L	89.9	Confident	80.1	Confident	9 Å²	9	45.9 Å²	45.9	5%	0.047	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118	177.9	-54	175.4	0	0	0	109.1	V30 I44 Y47 V48 A65 L79	V30-L81 HydrophobicContact CB-CD2 3.86Å; V30-L81 HydrophobicContact CG1-CD2 4.12Å; V30-L81 HydrophobicContact CG2-CD2 4.42Å; V30-L81 CarbonylContact O-C 3.59Å; V30-L81 WeakPolarHBondContact O-CA 3.35Å; I44-L81 HydrophobicContact CG1-CB 4.4Å; I44-L81 HydrophobicContact CG1-CD1 4.4Å; I44-L81 HydrophobicContact CG2-CB 4.32Å; I44-L81 HydrophobicContact CG2-CD1 4.04Å; Y47-L81 HydrophobicContact CD1-CD1 3.99Å; V48-L81 HydrophobicContact CG2-CD1 3.49Å; V48-L81 VanDerWaalsContact CG2-CD1 3.49Å; A65-L81 HydrophobicContact CB-CB 4.41Å; A65-L81 PolarHBondContact N-O 3.32Å; A65-L81 WeakPolarHBondContact O-CB 3.1Å; A65-L81 PolarHBondContact O-N 3.46Å; L79-L81 HydrophobicContact CB-CD2 4.21Å
82	W	87.3	Confident	78.4	Confident	63 Å²	63	45 Å²	45	24%	0.239	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	101.6	179	-68.3	62.1	0	0	0	108.5	V30 L31 V32 V62 I84 L97	V30-W82 PolarHBondContact O-N 2.78Å; L31-W82 HydrophobicContact CD1-CB 4.07Å; V32-W82 PolarHBondContact N-O 3.17Å; V62-W82 HydrophobicContact CG1-CE3 3.91Å; V62-W82 HydrophobicContact CG1-CZ3 4.48Å; W82-I84 HydrophobicContact CB-CD1 4.13Å; W82-I84 PolarHBondContact O-N 2.96Å; W82-L97 HydrophobicContact CH2-CD2 4.34Å; W82-L97 HydrophobicContact CZ3-CD1 4.06Å; W82-L97 HydrophobicContact CZ3-CD2 4.47Å
83	D	86.9	Confident	76.6	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.2	172.9	-171.6	15.6	0	0	0	108.7	K40 T41 I44 T59 V62 D63	K40-D83 VanDerWaalsContact CB-OD1 3.29Å; K40-D83 WeakPolarHBondContact CB-OD1 3.28Å; T41-D83 WeakPolarHBondContact CA-OD2 3.47Å; T41-D83 VanDerWaalsContact CB-OD2 3.3Å; T41-D83 WeakPolarHBondContact CB-OD2 3.38Å; T41-D83 PolarHBondContact OG1-OD2 2.9Å; I44-D83 HydrophobicContact CD1-CB 3.41Å; I44-D83 VanDerWaalsContact CD1-CB 3.41Å; T59-D83 PolarHBondContact OG1-OD2 2.98Å; V62-D83 WeakPolarHBondContact CA-O 3.45Å; D63-D83 HydrophobicContact CB-CB 4.07Å; D63-D83 PolarHBondContact N-O 3.28Å; D63-D83 PolarHBondContact O-N 2.76Å
84	I	80.6	Confident	75.1	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.1	178.9	-47.3	-61.4	0	0	0	109.3	L31 V32 I33 K40 V62 W82 G86 A88 A89	L31-I84 HydrophobicContact CD1-CD1 3.65Å; L31-I84 HydrophobicContact CD1-CG1 3.41Å; L31-I84 VanDerWaalsContact CD1-CG1 3.41Å; L31-I84 HydrophobicContact CG-CG1 3.99Å; V32-I84 PolarHBondContact O-N 2.84Å; I33-I84 HydrophobicContact CG2-CB 4.48Å; I33-I84 HydrophobicContact CG2-CG1 4.4Å; K40-I84 WeakPolarHBondContact CE-O 3.37Å; V62-I84 HydrophobicContact CB-CD1 4.25Å; V62-I84 HydrophobicContact CG1-CD1 3.78Å; V62-I84 HydrophobicContact CG2-CD1 3.49Å; V62-I84 VanDerWaalsContact CG2-CD1 3.49Å; V62-I84 HydrophobicContact CG2-CG2 4.29Å; W82-I84 HydrophobicContact CB-CD1 4.13Å; W82-I84 PolarHBondContact O-N 2.96Å; I84-G86 PolarHBondContact O-N 3.07Å; I84-A88 HydrophobicContact CG2-CB 4.36Å; I84-A89 HydrophobicContact CB-CB 4.27Å; I84-A89 HydrophobicContact CG2-CB 3.54Å; I84-A89 VanDerWaalsContact CG2-N 3.28Å
85	A	76.9	Confident	73.5	Confident	10 Å²	10	39.5 Å²	39.5	8%	0.083	22%	0.216	C	C	.	.			trans	-55.8	136.8	171.5	0	0	0	0	0	110.3	T59 G61 K87 A88 A89	T59-A85 HydrophobicContact CG2-CB 4.39Å; T59-A85 WeakPolarHBondContact O-CB 3.15Å; G61-A85 WeakPolarHBondContact O-CB 3.35Å; G61-A85 PolarHBondContact O-N 2.79Å; A85-K87 PolarHBondContact O-N 3.31Å; A85-A88 HydrophobicContact CB-CB 3.84Å; A85-A88 WeakPolarHBondContact O-CA 3.46Å; A85-A88 PolarHBondContact O-N 3.2Å; A85-A89 PolarHBondContact O-N 3.08Å
86	G	64.8	Low	72	Confident	3 Å²	3	44 Å²	44	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.9	-169.3	0	0	0	0	0	114.7	G34 I84	G34-G86 WeakPolarHBondContact O-CA 3.34Å; I84-G86 PolarHBondContact O-N 3.07Å
87	K	60.6	Low	70.4	Confident	157 Å²	157	46.7 Å²	46.7	68%	0.683	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-27.6	173.1	-68.1	-176.8	179.3	178.9	0	113.6	A85	A85-K87 PolarHBondContact O-N 3.31Å
88	A	59.5	Low	68.7	Low	19 Å²	19	47.2 Å²	47.2	16%	0.157	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.5	-23.3	-173.8	0	0	0	0	0	113.7	I84 A85 R90 L91 L94	I84-A88 HydrophobicContact CG2-CB 4.36Å; A85-A88 HydrophobicContact CB-CB 3.84Å; A85-A88 WeakPolarHBondContact O-CA 3.46Å; A85-A88 PolarHBondContact O-N 3.2Å; A88-R90 PolarHBondContact O-N 3.25Å; A88-L91 PolarHBondContact O-N 3.22Å; A88-L91 VanDerWaalsContact O-N 3.17Å; A88-L94 HydrophobicContact CB-CD1 4.42Å
89	A	57.7	Low	66.7	Low	11 Å²	11	50.7 Å²	50.7	9%	0.091	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57	-19.4	174.8	0	0	0	0	0	113.3	I33 I84 A85 L98	I33-A89 HydrophobicContact CG2-CB 4.28Å; I84-A89 HydrophobicContact CB-CB 4.27Å; I84-A89 HydrophobicContact CG2-CB 3.54Å; I84-A89 VanDerWaalsContact CG2-N 3.28Å; A85-A89 PolarHBondContact O-N 3.08Å; A89-L98 WeakPolarHBondContact O-CD1 3.42Å
90	R	57.3	Low	65.2	Low	73 Å²	73	53.4 Å²	53.4	28%	0.275	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-108.2	-0.7	-171.5	-53.9	179.8	-178.4	142.6	3	113	E35 A88 W126	E35-R90 IonicContact OE1-CZ 3.44Å; E35-R90 IonicContact OE1-NH1 3.13Å; E35-R90 PolarHBondContact OE1-NH1 2.9Å; E35-R90 VanDerWaalsContact OE1-NH1 3.13Å; E35-R90 IonicContact OE1-NH2 2.77Å; E35-R90 PolarHBondContact OE1-NH2 3.48Å; A88-R90 PolarHBondContact O-N 3.25Å; R90-W126 HydrophobicContact CB-CZ2 4.4Å; R90-W126 HydrophobicContact CG-CZ2 4.26Å
91	L	49.6	Very low	63.2	Low	119 Å²	119	55.5 Å²	55.5	62%	0.623	31%	0.312	S	S	*	.	S	Bend	trans	-122.8	131.9	-172.3	-64	174.9	0	0	0	112.1	A88	A88-L91 PolarHBondContact O-N 3.22Å; A88-L91 VanDerWaalsContact O-N 3.17Å
92	G	56.3	Low	61.6	Low	52 Å²	52	57 Å²	57	54%	0.536	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-153.4	162.4	0	0	0	0	0	116.2	L94 A95	G92-L94 PolarHBondContact O-N 3.43Å; G92-L94 VanDerWaalsContact O-N 3.07Å; G92-A95 WeakPolarHBondContact O-CB 3.48Å; G92-A95 PolarHBondContact O-N 2.87Å; G92-A95 VanDerWaalsContact O-N 3.08Å
93	P	52.3	Low	60.4	Low	109 Å²	109	55 Å²	55	71%	0.708	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21	-174.9	-24.2	33.5	0	0	0	114.8	A95 N96 L97	P93-A95 VanDerWaalsContact C-N 3.26Å; P93-A95 PolarHBondContact O-N 3.47Å; P93-N96 WeakPolarHBondContact O-CB 3.47Å; P93-N96 PolarHBondContact O-N 2.97Å; P93-N96 VanDerWaalsContact O-N 3.08Å; P93-L97 PolarHBondContact O-N 3.2Å
94	L	57.5	Low	59.6	Low	40 Å²	40	55.3 Å²	55.3	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-32.4	175.8	-73.7	162.7	0	0	0	112.1	V62 A88 G92 N96 L97 L98	V62-L94 HydrophobicContact CG2-CD1 3.59Å; V62-L94 HydrophobicContact CG2-CD2 3.48Å; V62-L94 VanDerWaalsContact CG2-CD2 3.48Å; V62-L94 HydrophobicContact CG2-CG 4.19Å; A88-L94 HydrophobicContact CB-CD1 4.42Å; G92-L94 PolarHBondContact O-N 3.43Å; G92-L94 VanDerWaalsContact O-N 3.07Å; L94-N96 PolarHBondContact O-N 3.32Å; L94-L97 HydrophobicContact CD2-CD1 3.88Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 3.18Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.86Å
95	A	59.1	Low	59.3	Low	23 Å²	23	55.5 Å²	55.5	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-25.8	174.8	0	0	0	0	0	113	G92 P93 L98	G92-A95 WeakPolarHBondContact O-CB 3.48Å; G92-A95 PolarHBondContact O-N 2.87Å; G92-A95 VanDerWaalsContact O-N 3.08Å; P93-A95 VanDerWaalsContact C-N 3.26Å; P93-A95 PolarHBondContact O-N 3.47Å; A95-L98 CarbonylContact O-C 3.46Å; A95-L98 WeakPolarHBondContact O-CB 3.3Å; A95-L98 PolarHBondContact O-N 3.36Å
96	N	58.9	Low	59.4	Low	114 Å²	114	55.7 Å²	55.7	61%	0.61	32%	0.319	S	S	*	.	H	α-helix	trans	-79	-34	176	-64.9	-19.3	0	0	0	111.9	P93 L94 L98 H99	P93-N96 WeakPolarHBondContact O-CB 3.47Å; P93-N96 PolarHBondContact O-N 2.97Å; P93-N96 VanDerWaalsContact O-N 3.08Å; L94-N96 PolarHBondContact O-N 3.32Å; N96-L98 PolarHBondContact O-N 3.41Å; N96-H99 PolarHBondContact O-N 2.84Å
97	L	57.9	Low	60	Low	80 Å²	80	56 Å²	56	42%	0.419	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-28.8	167.1	-80.4	154.1	0	0	0	111	W82 P93 L94 H99 L103	W82-L97 HydrophobicContact CH2-CD2 4.34Å; W82-L97 HydrophobicContact CZ3-CD1 4.06Å; W82-L97 HydrophobicContact CZ3-CD2 4.47Å; P93-L97 PolarHBondContact O-N 3.2Å; L94-L97 HydrophobicContact CD2-CD1 3.88Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 3.18Å; L94-L97 VanDerWaalsContact O-N 3.14Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 3.25Å; L97-L103 WeakPolarHBondContact O-CD1 3.41Å; L97-L103 WeakPolarHBondContact O-CD2 3.46Å
98	L	56.1	Low	60.8	Low	11 Å²	11	48.6 Å²	48.6	6%	0.058	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4	173.3	-53.7	179	0	0	0	115	L31 A89 L94 A95 N96 L103 W126 K130	L31-L98 HydrophobicContact CD1-CD2 3.54Å; L31-L98 HydrophobicContact CD2-CD2 3.1Å; L31-L98 HydrophobicContact CD2-CG 4.44Å; L31-L98 HydrophobicContact CG-CD2 3.88Å; A89-L98 WeakPolarHBondContact O-CD1 3.42Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 2.86Å; A95-L98 CarbonylContact O-C 3.46Å; A95-L98 WeakPolarHBondContact O-CB 3.3Å; A95-L98 PolarHBondContact O-N 3.36Å; N96-L98 PolarHBondContact O-N 3.41Å; L98-L103 HydrophobicContact CB-CD1 4.45Å; L98-L103 HydrophobicContact CD2-CD2 4.27Å; L98-L103 WeakPolarHBondContact O-CD1 3.29Å; L98-W126 HydrophobicContact CD1-CH2 3.58Å; L98-W126 HydrophobicContact CD1-CZ3 3.59Å; L98-K130 PolarHBondContact O-NZ 3.46Å
99	H	51.2	Low	61.6	Low	122 Å²	122	47.7 Å²	47.7	57%	0.565	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-2.4	173.6	-77.9	146.8	0	0	0	113.6	N96 L97 S101 K130	N96-H99 PolarHBondContact O-N 2.84Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 3.25Å; H99-S101 PolarHBondContact O-N 3.26Å; H99-K130 PolarHBondContact CD2-NZ 2.99Å; H99-K130 PolarHBondContact NE2-NZ 3.03Å
100	S	57.6	Low	62.3	Low	61 Å²	61	52 Å²	52	43%	0.427	30%	0.298	S	S	.	.	S	Bend	trans	-68.8	131.4	175.6	-172.3	0	0	0	0	111.1	S102 L103	S100-S102 PolarHBondContact O-N 2.91Å; S100-S102 PolarHBondContact OG-OG 2.89Å; S100-L103 WeakPolarHBondContact O-CD1 3.41Å; S100-L103 VanDerWaalsContact O-CG 3.3Å; S100-L103 WeakPolarHBondContact O-CG 3.29Å; S100-L103 PolarHBondContact O-N 3.33Å
101	S	49.3	Very low	63.1	Low	81 Å²	81	49.5 Å²	49.5	57%	0.566	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	5.1	-177	48.3	0	0	0	0	116.1	H99	H99-S101 PolarHBondContact O-N 3.26Å
102	S	55.8	Low	64.1	Low	40 Å²	40	45.8 Å²	45.8	28%	0.28	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	14.1	-177.7	56.2	0	0	0	0	113.2	S100 R104	S100-S102 PolarHBondContact O-N 2.91Å; S100-S102 PolarHBondContact OG-OG 2.89Å; S102-R104 PolarHBondContact O-NH1 3.02Å
103	L	62	Low	64.5	Low	22 Å²	22	53.1 Å²	53.1	12%	0.115	29%	0.291	C	S	.	.			trans	-75	131.2	-175.4	-77.6	153	0	0	0	112.9	L97 L98 S100	L97-L103 WeakPolarHBondContact O-CD1 3.41Å; L97-L103 WeakPolarHBondContact O-CD2 3.46Å; L98-L103 HydrophobicContact CB-CD1 4.45Å; L98-L103 HydrophobicContact CD2-CD2 4.27Å; L98-L103 WeakPolarHBondContact O-CD1 3.29Å; S100-L103 WeakPolarHBondContact O-CD1 3.41Å; S100-L103 VanDerWaalsContact O-CG 3.3Å; S100-L103 WeakPolarHBondContact O-CG 3.29Å; S100-L103 PolarHBondContact O-N 3.33Å
104	R	71.4	Confident	65.1	Low	9 Å²	9	58 Å²	58	3%	0.034	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.9	174.4	-61	142.6	165.2	96.7	3.1	106.6	K29 V30 L31 S102 P140 L191 I195 D199	K29-R104 WeakPolarHBondContact O-CD 3.43Å; K29-R104 PolarHBondContact O-N 3.3Å; V30-R104 CarbonylContact C-O 3.58Å; V30-R104 WeakPolarHBondContact CA-O 3.1Å; V30-R104 HydrophobicContact CG2-CB 4.13Å; L31-R104 PolarHBondContact N-O 3.19Å; S102-R104 PolarHBondContact O-NH1 3.02Å; R104-P140 HydrophobicContact CG-CG 4.03Å; R104-L191 HydrophobicContact CB-CD1 4.4Å; R104-I195 HydrophobicContact CB-CD1 3.94Å; R104-I195 HydrophobicContact CB-CG1 4.44Å; R104-I195 HydrophobicContact CG-CD1 3.5Å; R104-I195 HydrophobicContact CG-CG1 3.65Å; R104-D199 IonicContact CZ-OD2 3.43Å; R104-D199 IonicContact NH1-OD2 3.59Å; R104-D199 IonicContact NH2-OD2 2.66Å; R104-D199 PolarHBondContact NH2-OD2 3.33Å
105	M	74	Confident	65.4	Low	9 Å²	9	56.6 Å²	56.6	4%	0.044	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.5	-167.3	-68.5	176.9	58.6	0	0	111.2	L31 I33 K130 P140 W141 V142	L31-M105 HydrophobicContact CB-CG 4.17Å; L31-M105 HydrophobicContact CD2-CE 4.07Å; L31-M105 HydrophobicContact CD2-CG 4.1Å; L31-M105 HydrophobicContact CD2-SD 4.36Å; L31-M105 WeakPolarHBondContact O-CA 3.45Å; I33-M105 HydrophobicContact CD1-CE 3.21Å; I33-M105 HydrophobicContact CG1-CE 3.99Å; M105-K130 HydrophobicContact SD-CB 4.5Å; M105-P140 PolarHBondContact N-O 3.47Å; M105-W141 HydrophobicContact CB-CD2 4.34Å; M105-W141 HydrophobicContact CB-CG 4.3Å; M105-W141 HydrophobicContact CE-CH2 4Å; M105-W141 HydrophobicContact CE-CZ2 3.59Å; M105-W141 HydrophobicContact SD-CH2 4.43Å; M105-W141 HydrophobicContact SD-CZ2 3.47Å; M105-W141 WeakPolarHBondContact SD-CZ2 3.11Å; M105-V142 PolarHBondContact O-N 3.1Å; M105-V142 VanDerWaalsContact O-N 3.13Å
106	M	77.6	Confident	65.6	Low	15 Å²	15	57.4 Å²	57.4	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108.3	169.2	-162.2	166.7	90	0	0	107.7	V30 L31 V32 I33 I43 V142 L144	V30-M106 HydrophobicContact CG1-CB 4.43Å; L31-M106 PolarHBondContact O-N 3.2Å; V32-M106 WeakPolarHBondContact CA-O 3.41Å; V32-M106 HydrophobicContact CG1-CE 4.13Å; V32-M106 HydrophobicContact CG2-CB 4.37Å; V32-M106 HydrophobicContact CG2-CE 4.27Å; I33-M106 PolarHBondContact N-O 3.21Å; I43-M106 HydrophobicContact CB-CE 4.38Å; I43-M106 HydrophobicContact CD1-CE 3.37Å; I43-M106 HydrophobicContact CD1-SD 4.35Å; I43-M106 HydrophobicContact CG1-CE 3.74Å; I43-M106 HydrophobicContact CG2-CE 3.71Å; M106-V142 WeakPolarHBondContact CA-O 3.22Å; M106-L144 HydrophobicContact CE-CD1 3.57Å; M106-L144 HydrophobicContact CG-CD1 3.48Å; M106-L144 VanDerWaalsContact CG-CD1 3.48Å; M106-L144 HydrophobicContact CG-CG 4.02Å; M106-L144 HydrophobicContact SD-CD1 3.27Å; M106-L144 WeakPolarHBondContact SD-CD1 3.27Å; M106-L144 HydrophobicContact SD-CG 4.35Å
107	F	78.8	Confident	66.2	Low	10 Å²	10	52.5 Å²	52.5	4%	0.044	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131	176.3	-170.7	-80.6	0	0	0	109.2	I33 L119 E123 L127 V142 L143 L144	I33-F107 HydrophobicContact CD1-CD2 3.59Å; I33-F107 HydrophobicContact CD1-CE2 4.18Å; I33-F107 HydrophobicContact CG1-CB 4.46Å; I33-F107 HydrophobicContact CG1-CD2 3.74Å; I33-F107 HydrophobicContact CG1-CE2 4.49Å; I33-F107 HydrophobicContact CG1-CG 4.49Å; I33-F107 CarbonylContact O-C 3.55Å; F107-L119 HydrophobicContact CE1-CD1 4.13Å; F107-L119 HydrophobicContact CE1-CD2 3.39Å; F107-L119 HydrophobicContact CE1-CG 4.43Å; F107-L119 HydrophobicContact CZ-CD1 4.24Å; F107-L119 HydrophobicContact CZ-CD2 3.68Å; F107-E123 HydrophobicContact CZ-CB 4.32Å; F107-E123 HydrophobicContact CZ-CG 4.3Å; F107-E123 WeakPolarHBondContact CZ-OE1 3.32Å; F107-L127 HydrophobicContact CB-CD2 4.44Å; F107-L127 HydrophobicContact CD2-CD2 3.5Å; F107-L127 VanDerWaalsContact CD2-CD2 3.5Å; F107-L127 HydrophobicContact CD2-CG 4.45Å; F107-L127 HydrophobicContact CE2-CD2 3.87Å; F107-L127 HydrophobicContact CE2-CG 4.37Å; F107-L127 HydrophobicContact CG-CD2 4Å; F107-V142 PolarHBondContact N-O 3.14Å; F107-L143 HydrophobicContact CB-CD1 3.87Å; F107-L143 HydrophobicContact CD1-CD1 3.26Å; F107-L143 HydrophobicContact CE1-CD1 4.15Å; F107-L143 HydrophobicContact CG-CD1 3.92Å; F107-L144 PolarHBondContact O-N 3.05Å
108	T	78	Confident	67	Low	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.6	176.4	55.3	0	0	0	0	109.4	V32 I33 G34 V38 K40 I43 L144 F178	V32-T108 HydrophobicContact CG1-CG2 4.16Å; I33-T108 PolarHBondContact O-N 3.34Å; I33-T108 PolarHBondContact O-OG1 3.27Å; G34-T108 WeakPolarHBondContact CA-O 3.4Å; V38-T108 WeakPolarHBondContact CG2-OG1 2.97Å; K40-T108 HydrophobicContact CG-CG2 4.49Å; K40-T108 WeakPolarHBondContact CG-OG1 3.39Å; I43-T108 HydrophobicContact CG2-CG2 4.16Å; T108-L144 CarbonylContact C-O 3.58Å; T108-L144 VanDerWaalsContact CA-O 3.29Å; T108-L144 WeakPolarHBondContact CA-O 3.3Å; T108-L144 HydrophobicContact CG2-CB 4.38Å; T108-F178 HydrophobicContact CG2-CZ 4.35Å
109	G	74.6	Confident	67.8	Low	1 Å²	1	54.1 Å²	54.1	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	175.7	177.1	0	0	0	0	0	111.5	L144 S145 N146	G109-L144 PolarHBondContact N-O 3.46Å; G109-S145 VanDerWaalsContact O-CA 3.3Å; G109-S145 WeakPolarHBondContact O-CA 3.45Å; G109-N146 PolarHBondContact O-N 3.01Å; G109-N146 VanDerWaalsContact O-N 3.09Å
110	Q	73.2	Confident	68.9	Low	100 Å²	100	50.5 Å²	50.5	47%	0.467	26%	0.264	S	S	.	.			trans	-105.9	142.8	169.2	-70.5	-175.6	-15	0	0	109.1	V38 F117 D118	V38-Q110 HydrophobicContact CG1-CG 4.41Å; Q110-F117 CarbonylContact O-C 3.56Å; Q110-F117 WeakPolarHBondContact O-CA 3.32Å; Q110-D118 PolarHBondContact O-N 3.5Å
111	I	73.1	Confident	69.7	Low	21 Å²	21	54.1 Å²	54.1	11%	0.108	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-90.7	127.6	169.8	-74.5	168	0	0	0	108.6	T116 F117 S145 I175	I111-T116 CarbonylContact C-O 3.56Å; I111-T116 VanDerWaalsContact CA-O 3.3Å; I111-T116 WeakPolarHBondContact CA-O 3.48Å; I111-F117 HydrophobicContact CD1-CE2 4.35Å; I111-F117 HydrophobicContact CD1-CZ 4.25Å; I111-F117 HydrophobicContact CG1-CD1 4.33Å; I111-F117 HydrophobicContact CG1-CD2 4.37Å; I111-F117 HydrophobicContact CG1-CE1 4.24Å; I111-F117 HydrophobicContact CG1-CE2 4.27Å; I111-F117 HydrophobicContact CG1-CG 4.39Å; I111-F117 HydrophobicContact CG1-CZ 4.19Å; I111-S145 WeakPolarHBondContact CD1-OG 3.13Å; I111-S145 WeakPolarHBondContact CG1-OG 3.48Å; I111-S145 PolarHBondContact N-OG 2.87Å; I111-I175 HydrophobicContact CD1-CD1 4.07Å; I111-I175 HydrophobicContact CD1-CG1 3.77Å
112	N	70.9	Confident	70.7	Confident	42 Å²	42	59.3 Å²	59.3	23%	0.225	29%	0.285	C	S	.	.			trans	-74.8	176.3	175.8	63.5	28.9	0	0	0	112.3	R114 G115 T116 D118	N112-R114 PolarHBondContact O-N 3.12Å; N112-R114 VanDerWaalsContact O-N 3.09Å; N112-R114 VanDerWaalsContact OD1-CA 3.29Å; N112-R114 WeakPolarHBondContact OD1-CA 3.47Å; N112-R114 VanDerWaalsContact OD1-CB 3.29Å; N112-R114 WeakPolarHBondContact OD1-CB 3.43Å; N112-R114 PolarHBondContact OD1-N 3.3Å; N112-G115 PolarHBondContact O-N 3.44Å; N112-G115 PolarHBondContact OD1-N 3.24Å; N112-G115 VanDerWaalsContact OD1-N 3.11Å; N112-T116 VanDerWaalsContact CG-O 3.22Å; N112-T116 PolarHBondContact N-O 3.36Å; N112-T116 PolarHBondContact ND2-OG1 2.94Å; N112-T116 PolarHBondContact OD1-N 3.03Å; N112-T116 VanDerWaalsContact OD1-N 3.1Å; N112-T116 PolarHBondContact OD1-O 2.6Å; N112-T116 PolarHBondContact OD1-OG1 2.88Å; N112-D118 HydrophobicContact CB-CB 4.2Å
113	Q	66.2	Low	71.6	Confident	206 Å²	206	57.6 Å²	57.6	96%	0.963	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.6	176.6	-64.1	-175.6	2.3	0	0	113.9	G115	Q113-G115 VanDerWaalsContact C-N 3.29Å
114	R	63.6	Low	72.2	Confident	212 Å²	212	58.8 Å²	58.8	80%	0.8	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.4	177.8	-56.5	178.5	180	-107.8	0.1	112.8	N112	N112-R114 PolarHBondContact O-N 3.12Å; N112-R114 VanDerWaalsContact O-N 3.09Å; N112-R114 VanDerWaalsContact OD1-CA 3.29Å; N112-R114 WeakPolarHBondContact OD1-CA 3.47Å; N112-R114 VanDerWaalsContact OD1-CB 3.29Å; N112-R114 WeakPolarHBondContact OD1-CB 3.43Å; N112-R114 PolarHBondContact OD1-N 3.3Å
115	G	63.9	Low	72.4	Confident	10 Å²	10	64.1 Å²	64.1	10%	0.103	30%	0.304	C	S	.	.	S	Bend	trans	78.2	18.1	178.4	0	0	0	0	0	114	N112 Q113 T161	N112-G115 PolarHBondContact O-N 3.44Å; N112-G115 PolarHBondContact OD1-N 3.24Å; N112-G115 VanDerWaalsContact OD1-N 3.11Å; Q113-G115 VanDerWaalsContact C-N 3.29Å; G115-T161 PolarHBondContact O-OG1 2.95Å
116	T	63.7	Low	72.3	Confident	39 Å²	39	66.3 Å²	66.3	24%	0.239	31%	0.312	C	S	.	.	S	Bend	trans	-113.6	157.4	173.4	61	0	0	0	0	111.3	I111 N112 D118 L160	I111-T116 CarbonylContact C-O 3.56Å; I111-T116 VanDerWaalsContact CA-O 3.3Å; I111-T116 WeakPolarHBondContact CA-O 3.48Å; N112-T116 VanDerWaalsContact CG-O 3.22Å; N112-T116 PolarHBondContact N-O 3.36Å; N112-T116 PolarHBondContact ND2-OG1 2.94Å; N112-T116 PolarHBondContact OD1-N 3.03Å; N112-T116 VanDerWaalsContact OD1-N 3.1Å; N112-T116 PolarHBondContact OD1-O 2.6Å; N112-T116 PolarHBondContact OD1-OG1 2.88Å; T116-D118 PolarHBondContact O-N 3.34Å; T116-L160 HydrophobicContact CG2-CB 3.57Å; T116-L160 HydrophobicContact CG2-CD1 3.72Å; T116-L160 HydrophobicContact CG2-CG 4.26Å
117	F	71.9	Confident	72.2	Confident	12 Å²	12	65.7 Å²	65.7	5%	0.053	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-63.6	126.6	171.4	-77.7	-88.7	0	0	0	110.2	Q110 I111 L119 L143 T161	Q110-F117 CarbonylContact O-C 3.56Å; Q110-F117 WeakPolarHBondContact O-CA 3.32Å; I111-F117 HydrophobicContact CD1-CE2 4.35Å; I111-F117 HydrophobicContact CD1-CZ 4.25Å; I111-F117 HydrophobicContact CG1-CD1 4.33Å; I111-F117 HydrophobicContact CG1-CD2 4.37Å; I111-F117 HydrophobicContact CG1-CE1 4.24Å; I111-F117 HydrophobicContact CG1-CE2 4.27Å; I111-F117 HydrophobicContact CG1-CG 4.39Å; I111-F117 HydrophobicContact CG1-CZ 4.19Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 HydrophobicContact CB-CD1 4.21Å; F117-L119 HydrophobicContact CB-CD2 4.05Å; F117-L119 HydrophobicContact CB-CG 3.8Å; F117-L119 PolarHBondContact O-N 3.37Å; F117-L119 VanDerWaalsContact O-N 3.14Å; F117-L143 HydrophobicContact CD1-CD1 3.97Å; F117-L143 HydrophobicContact CD1-CD2 4.21Å; F117-L143 HydrophobicContact CD1-CG 4.2Å; F117-L143 HydrophobicContact CD2-CD2 3.4Å; F117-L143 VanDerWaalsContact CD2-CD2 3.4Å; F117-L143 HydrophobicContact CD2-CG 4.11Å; F117-L143 HydrophobicContact CE1-CD1 3.7Å; F117-L143 HydrophobicContact CE1-CD2 4.07Å; F117-L143 HydrophobicContact CE1-CG 3.68Å; F117-L143 HydrophobicContact CE2-CD1 4.38Å; F117-L143 HydrophobicContact CE2-CD2 3.23Å; F117-L143 HydrophobicContact CE2-CG 3.57Å; F117-L143 HydrophobicContact CG-CD1 4.42Å; F117-L143 HydrophobicContact CG-CD2 3.9Å; F117-L143 HydrophobicContact CG-CG 4.39Å; F117-L143 HydrophobicContact CZ-CD1 3.95Å; F117-L143 HydrophobicContact CZ-CD2 3.61Å; F117-L143 HydrophobicContact CZ-CG 3.36Å; F117-T161 HydrophobicContact CD2-CG2 3.96Å; F117-T161 HydrophobicContact CE2-CG2 3.54Å
118	D	73.7	Confident	72	Confident	106 Å²	106	69.7 Å²	69.7	57%	0.567	33%	0.331	S	S	*	.			trans	-84.1	81.7	175.4	-163	13	0	0	0	108.9	Q110 N112 T116	Q110-D118 PolarHBondContact O-N 3.5Å; N112-D118 HydrophobicContact CB-CB 4.2Å; T116-D118 PolarHBondContact O-N 3.34Å
119	L	74.1	Confident	71.8	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.094	36%	0.357	C	S	.	.			trans	-107.6	137.8	-179.6	-52.3	-172.2	0	0	0	109.8	F107 F117 E123 L124 L127 F164	F107-L119 HydrophobicContact CE1-CD1 4.13Å; F107-L119 HydrophobicContact CE1-CD2 3.39Å; F107-L119 HydrophobicContact CE1-CG 4.43Å; F107-L119 HydrophobicContact CZ-CD1 4.24Å; F107-L119 HydrophobicContact CZ-CD2 3.68Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 HydrophobicContact CB-CD1 4.21Å; F117-L119 HydrophobicContact CB-CD2 4.05Å; F117-L119 HydrophobicContact CB-CG 3.8Å; F117-L119 PolarHBondContact O-N 3.37Å; F117-L119 VanDerWaalsContact O-N 3.14Å; L119-E123 WeakPolarHBondContact CA-OE2 3.49Å; L119-E123 HydrophobicContact CB-CB 4.12Å; L119-L124 HydrophobicContact CB-CD2 3.97Å; L119-L124 HydrophobicContact CB-CG 4.21Å; L119-L124 HydrophobicContact CD1-CD2 3.9Å; L119-L124 HydrophobicContact CG-CD2 4.49Å; L119-L127 HydrophobicContact CD1-CD1 3.51Å; L119-F164 HydrophobicContact CD1-CE1 4.17Å; L119-F164 HydrophobicContact CD1-CE2 4.3Å; L119-F164 HydrophobicContact CD1-CZ 3.52Å
120	S	73.2	Confident	71.6	Confident	46 Å²	46	75.5 Å²	75.5	32%	0.322	36%	0.361	S	S	.	.			trans	-67.3	153.8	171.2	66.2	0	0	0	0	111	R122 E123 L124	S120-R122 PolarHBondContact O-N 3.42Å; S120-E123 PolarHBondContact N-OE2 3.35Å; S120-E123 WeakPolarHBondContact O-CB 3.41Å; S120-E123 PolarHBondContact O-N 3.32Å; S120-E123 WeakPolarHBondContact OG-CG 3.15Å; S120-E123 PolarHBondContact OG-N 3.03Å; S120-E123 PolarHBondContact OG-OE2 3.41Å; S120-L124 PolarHBondContact O-N 2.99Å
121	N	75.3	Confident	71.3	Confident	138 Å²	138	71.4 Å²	71.4	74%	0.738	34%	0.343	S	S	*	.	H	α-helix	trans	-52	-30.9	173.3	-71.2	-19.9	0	0	0	112.7	H125	N121-H125 WeakPolarHBondContact O-CB 3.38Å; N121-H125 PolarHBondContact O-N 3.49Å
122	R	69.9	Low	71.1	Confident	189 Å²	189	77.3 Å²	77.3	71%	0.713	37%	0.368	S	S	*	.	H	α-helix	trans	-69.8	-38	177.6	-64.2	-179.4	-179.5	-179.2	-0.2	112.1	S120 W126	S120-R122 PolarHBondContact O-N 3.42Å; R122-W126 WeakPolarHBondContact O-CB 3.49Å; R122-W126 PolarHBondContact O-N 2.93Å
123	E	73.6	Confident	70.9	Confident	5 Å²	5	76.8 Å²	76.8	2%	0.023	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-43	174.9	-73.2	169.6	119.4	0	0	111.5	E35 F107 L119 S120 H125 W126 L127	E35-E123 VanDerWaalsContact CG-OE1 3.26Å; E35-E123 WeakPolarHBondContact CG-OE1 3.49Å; E35-E123 PolarHBondContact N-OE1 3.29Å; F107-E123 HydrophobicContact CZ-CB 4.32Å; F107-E123 HydrophobicContact CZ-CG 4.3Å; F107-E123 WeakPolarHBondContact CZ-OE1 3.32Å; L119-E123 WeakPolarHBondContact CA-OE2 3.49Å; L119-E123 HydrophobicContact CB-CB 4.12Å; S120-E123 PolarHBondContact N-OE2 3.35Å; S120-E123 WeakPolarHBondContact O-CB 3.41Å; S120-E123 PolarHBondContact O-N 3.32Å; S120-E123 WeakPolarHBondContact OG-CG 3.15Å; S120-E123 PolarHBondContact OG-N 3.03Å; S120-E123 PolarHBondContact OG-OE2 3.41Å; E123-H125 VanDerWaalsContact C-N 3.3Å; E123-H125 PolarHBondContact O-N 3.49Å; E123-W126 CarbonylContact O-C 3.48Å; E123-W126 WeakPolarHBondContact O-CB 3.44Å; E123-W126 PolarHBondContact O-N 3.27Å; E123-W126 VanDerWaalsContact O-N 3.11Å; E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 VanDerWaalsContact O-CG 3.28Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.79Å
124	L	75.2	Confident	70.8	Confident	47 Å²	47	71.5 Å²	71.5	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-57.7	-45.4	175.4	-63	177.6	0	0	0	111.5	L119 S120 W126 L127 D128 F164 F168	L119-L124 HydrophobicContact CB-CD2 3.97Å; L119-L124 HydrophobicContact CB-CG 4.21Å; L119-L124 HydrophobicContact CD1-CD2 3.9Å; L119-L124 HydrophobicContact CG-CD2 4.49Å; S120-L124 PolarHBondContact O-N 2.99Å; L124-W126 VanDerWaalsContact C-N 3.34Å; L124-W126 PolarHBondContact O-N 2.78Å; L124-L127 PolarHBondContact O-N 3.01Å; L124-D128 WeakPolarHBondContact O-CB 3.26Å; L124-D128 PolarHBondContact O-N 2.84Å; L124-F164 HydrophobicContact CD2-CE2 3.46Å; L124-F164 VanDerWaalsContact CD2-CE2 3.46Å; L124-F164 HydrophobicContact CD2-CZ 3.65Å; L124-F168 HydrophobicContact CB-CZ 4.26Å; L124-F168 HydrophobicContact CD2-CE2 4Å; L124-F168 HydrophobicContact CD2-CZ 3.74Å
125	H	75.1	Confident	70.8	Confident	120 Å²	120	67 Å²	67	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-40.4	175.3	-177.1	59.7	0	0	0	112.5	N121 E123 D128 L129	N121-H125 WeakPolarHBondContact O-CB 3.38Å; N121-H125 PolarHBondContact O-N 3.49Å; E123-H125 VanDerWaalsContact C-N 3.3Å; E123-H125 PolarHBondContact O-N 3.49Å; H125-D128 PolarHBondContact O-N 3.2Å; H125-L129 WeakPolarHBondContact O-CB 3.44Å; H125-L129 PolarHBondContact O-N 2.86Å
126	W	73.1	Confident	70.9	Confident	55 Å²	55	69.2 Å²	69.2	21%	0.208	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-40.9	175.4	-107.4	88	0	0	0	113	R90 L98 R122 E123 L124 K130	R90-W126 HydrophobicContact CB-CZ2 4.4Å; R90-W126 HydrophobicContact CG-CZ2 4.26Å; L98-W126 HydrophobicContact CD1-CH2 3.58Å; L98-W126 HydrophobicContact CD1-CZ3 3.59Å; R122-W126 WeakPolarHBondContact O-CB 3.49Å; R122-W126 PolarHBondContact O-N 2.93Å; E123-W126 CarbonylContact O-C 3.48Å; E123-W126 WeakPolarHBondContact O-CB 3.44Å; E123-W126 PolarHBondContact O-N 3.27Å; E123-W126 VanDerWaalsContact O-N 3.11Å; L124-W126 VanDerWaalsContact C-N 3.34Å; L124-W126 PolarHBondContact O-N 2.78Å; W126-K130 HydrophobicContact CE3-CG 3.71Å; W126-K130 HydrophobicContact CZ3-CD 4.2Å; W126-K130 HydrophobicContact CZ3-CG 3.72Å; W126-K130 PolarHBondContact O-N 3.13Å; W126-K130 VanDerWaalsContact O-N 3.14Å
127	L	74.1	Confident	71.1	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-46.8	176.7	-71.4	174.3	0	0	0	110.1	F107 L119 E123 L124 K130 S131 W141 F164 F168	F107-L127 HydrophobicContact CB-CD2 4.44Å; F107-L127 HydrophobicContact CD2-CD2 3.5Å; F107-L127 VanDerWaalsContact CD2-CD2 3.5Å; F107-L127 HydrophobicContact CD2-CG 4.45Å; F107-L127 HydrophobicContact CE2-CD2 3.87Å; F107-L127 HydrophobicContact CE2-CG 4.37Å; F107-L127 HydrophobicContact CG-CD2 4Å; L119-L127 HydrophobicContact CD1-CD1 3.51Å; E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 VanDerWaalsContact O-CG 3.28Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.79Å; L124-L127 PolarHBondContact O-N 3.01Å; L127-K130 PolarHBondContact O-N 2.9Å; L127-S131 VanDerWaalsContact O-CB 3.32Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.32Å; L127-W141 HydrophobicContact CB-CH2 4.39Å; L127-W141 HydrophobicContact CB-CZ3 3.8Å; L127-W141 HydrophobicContact CD2-CE3 3.77Å; L127-W141 HydrophobicContact CD2-CH2 4.05Å; L127-W141 HydrophobicContact CD2-CZ3 3.16Å; L127-W141 HydrophobicContact CG-CZ3 4.03Å; L127-W141 WeakPolarHBondContact O-CH2 3.25Å; L127-W141 WeakPolarHBondContact O-CZ3 3.16Å; L127-F164 HydrophobicContact CD1-CE1 4.41Å; L127-F164 HydrophobicContact CD1-CZ 4.02Å; L127-F168 HydrophobicContact CB-CD1 4.02Å; L127-F168 HydrophobicContact CB-CE1 4.39Å
128	D	75.4	Confident	71	Confident	95 Å²	95	73.9 Å²	73.9	51%	0.508	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-49	178	-173.3	48	0	0	0	111.8	L124 H125 K130 S131 F168	L124-D128 WeakPolarHBondContact O-CB 3.26Å; L124-D128 PolarHBondContact O-N 2.84Å; H125-D128 PolarHBondContact O-N 3.2Å; D128-K130 VanDerWaalsContact C-N 3.3Å; D128-K130 PolarHBondContact O-N 2.81Å; D128-S131 PolarHBondContact O-N 2.86Å; D128-S131 PolarHBondContact O-OG 2.89Å; D128-F168 HydrophobicContact CB-CE1 4.26Å
129	L	73.1	Confident	70.7	Confident	105 Å²	105	69 Å²	69	55%	0.55	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-35.5	-178.8	-169.3	72.4	0	0	0	113.2	H125	H125-L129 WeakPolarHBondContact O-CB 3.44Å; H125-L129 PolarHBondContact O-N 2.86Å
130	K	71.3	Confident	70.5	Confident	18 Å²	18	69 Å²	69	8%	0.078	37%	0.371	C	S	.	.	H	α-helix	trans	-100.4	-5.6	-174.7	-60.9	-65.7	-170.1	170.2	0	113.7	L98 H99 M105 W126 L127 D128 K132 W141	L98-K130 PolarHBondContact O-NZ 3.46Å; H99-K130 PolarHBondContact CD2-NZ 2.99Å; H99-K130 PolarHBondContact NE2-NZ 3.03Å; M105-K130 HydrophobicContact SD-CB 4.5Å; W126-K130 HydrophobicContact CE3-CG 3.71Å; W126-K130 HydrophobicContact CZ3-CD 4.2Å; W126-K130 HydrophobicContact CZ3-CG 3.72Å; W126-K130 PolarHBondContact O-N 3.13Å; W126-K130 VanDerWaalsContact O-N 3.14Å; L127-K130 PolarHBondContact O-N 2.9Å; D128-K130 VanDerWaalsContact C-N 3.3Å; D128-K130 PolarHBondContact O-N 2.81Å; K130-K132 PolarHBondContact O-N 2.61Å; K130-K132 VanDerWaalsContact O-N 3.08Å; K130-W141 HydrophobicContact CB-CH2 3.59Å; K130-W141 HydrophobicContact CB-CZ2 3.45Å; K130-W141 VanDerWaalsContact CB-CZ2 3.45Å; K130-W141 WeakPolarHBondContact O-CZ2 3.09Å
131	S	67.4	Low	70.8	Confident	14 Å²	14	67.1 Å²	67.1	10%	0.098	36%	0.357	C	S	.	.	S	Bend	trans	-58.4	-22.3	178.3	65.6	0	0	0	0	113.1	L127 D128 A139	L127-S131 VanDerWaalsContact O-CB 3.32Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.32Å; D128-S131 PolarHBondContact O-N 2.86Å; D128-S131 PolarHBondContact O-OG 2.89Å; S131-A139 PolarHBondContact O-N 3.5Å
132	K	68.9	Low	71.2	Confident	145 Å²	145	60.7 Å²	60.7	63%	0.63	32%	0.323	S	S	*	.	B	Isolated β-bridge	trans	-113.1	132.1	179.6	-61.4	177.8	-173.6	173.9	0	110.9	K130	K130-K132 PolarHBondContact O-N 2.61Å; K130-K132 VanDerWaalsContact O-N 3.08Å
133	N	65.6	Low	71.7	Confident	30 Å²	30	51.7 Å²	51.7	16%	0.16	29%	0.289	C	S	.	.			trans	-68.8	163.4	168.4	-71.4	-34.5	0	0	0	110.7	N135 G136 S137 A139	N133-N135 WeakPolarHBondContact CB-OD1 3.38Å; N133-N135 PolarHBondContact O-N 2.73Å; N133-N135 VanDerWaalsContact O-N 3.09Å; N133-G136 PolarHBondContact O-N 3.03Å; N133-S137 WeakPolarHBondContact CB-O 3.04Å; N133-S137 PolarHBondContact N-O 3.09Å; N133-S137 PolarHBondContact ND2-OG 3.46Å; N133-A139 WeakPolarHBondContact OD1-CB 3.02Å
134	A	64.4	Low	72.2	Confident	96 Å²	96	51.5 Å²	51.5	79%	0.793	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.6	177.2	0	0	0	0	0	113.8	G136	A134-G136 VanDerWaalsContact C-N 3.31Å
135	N	63.3	Low	72.5	Confident	117 Å²	117	49.2 Å²	49.2	63%	0.626	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	7.2	175.6	65.8	2	0	0	0	113.7	N133 S137	N133-N135 WeakPolarHBondContact CB-OD1 3.38Å; N133-N135 PolarHBondContact O-N 2.73Å; N133-N135 VanDerWaalsContact O-N 3.09Å; N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact ND2-OG 2.83Å; N135-S137 PolarHBondContact O-N 3.1Å; N135-S137 WeakPolarHBondContact OD1-CB 3.22Å; N135-S137 PolarHBondContact OD1-N 3.03Å; N135-S137 PolarHBondContact OD1-OG 3.1Å
136	G	66.1	Low	72.5	Confident	56 Å²	56	44.5 Å²	44.5	58%	0.577	26%	0.255	S	S	*	.	S	Bend	trans	79.5	-5.1	-178.7	0	0	0	0	0	115.3	N133 A134	N133-G136 PolarHBondContact O-N 3.03Å; A134-G136 VanDerWaalsContact C-N 3.31Å
137	S	69.2	Low	72.3	Confident	49 Å²	49	43 Å²	43	34%	0.343	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-72.1	152.3	175.2	67.6	0	0	0	0	111.8	N133 N135 A139	N133-S137 WeakPolarHBondContact CB-O 3.04Å; N133-S137 PolarHBondContact N-O 3.09Å; N133-S137 PolarHBondContact ND2-OG 3.46Å; N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact ND2-OG 2.83Å; N135-S137 PolarHBondContact O-N 3.1Å; N135-S137 WeakPolarHBondContact OD1-CB 3.22Å; N135-S137 PolarHBondContact OD1-N 3.03Å; N135-S137 PolarHBondContact OD1-OG 3.1Å; S137-A139 PolarHBondContact O-N 3.48Å
138	Q	68.4	Low	71.4	Confident	101 Å²	101	47.9 Å²	47.9	47%	0.472	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-71.8	128.9	172.8	-75.5	-178.2	-15.1	0	0	110.1
139	A	68	Low	70.4	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.025	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.4	144.7	174.5	0	0	0	0	0	110.8	S131 N133 S137 W141	S131-A139 PolarHBondContact O-N 3.5Å; N133-A139 WeakPolarHBondContact OD1-CB 3.02Å; S137-A139 PolarHBondContact O-N 3.48Å; A139-W141 VanDerWaalsContact C-CD1 3.47Å; A139-W141 VanDerWaalsContact CB-CD1 3.4Å; A139-W141 VanDerWaalsContact O-CD1 3.26Å; A139-W141 PolarHBondContact O-N 2.88Å
140	P	70.6	Confident	69.4	Low	19 Å²	19	45.8 Å²	45.8	12%	0.123	27%	0.265	C	S	.	.			trans	-73.6	99.4	177.9	29.2	-32.7	0	0	0	109.8	R104 M105 L191 N194 I195	R104-P140 HydrophobicContact CG-CG 4.03Å; M105-P140 PolarHBondContact N-O 3.47Å; P140-L191 HydrophobicContact CB-CD1 4.43Å; P140-N194 HydrophobicContact CB-CB 4.37Å; P140-I195 HydrophobicContact CG-CG1 4.18Å
141	W	79.6	Confident	68.5	Low	5 Å²	5	55.1 Å²	55.1	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.8	-177.1	-73.4	31.1	0	0	0	111.1	M105 L127 K130 A139 L170 K171	M105-W141 HydrophobicContact CB-CD2 4.34Å; M105-W141 HydrophobicContact CB-CG 4.3Å; M105-W141 HydrophobicContact CE-CH2 4Å; M105-W141 HydrophobicContact CE-CZ2 3.59Å; M105-W141 HydrophobicContact SD-CH2 4.43Å; M105-W141 HydrophobicContact SD-CZ2 3.47Å; M105-W141 WeakPolarHBondContact SD-CZ2 3.11Å; L127-W141 HydrophobicContact CB-CH2 4.39Å; L127-W141 HydrophobicContact CB-CZ3 3.8Å; L127-W141 HydrophobicContact CD2-CE3 3.77Å; L127-W141 HydrophobicContact CD2-CH2 4.05Å; L127-W141 HydrophobicContact CD2-CZ3 3.16Å; L127-W141 HydrophobicContact CG-CZ3 4.03Å; L127-W141 WeakPolarHBondContact O-CH2 3.25Å; L127-W141 WeakPolarHBondContact O-CZ3 3.16Å; K130-W141 HydrophobicContact CB-CH2 3.59Å; K130-W141 HydrophobicContact CB-CZ2 3.45Å; K130-W141 VanDerWaalsContact CB-CZ2 3.45Å; K130-W141 WeakPolarHBondContact O-CZ2 3.09Å; A139-W141 VanDerWaalsContact C-CD1 3.47Å; A139-W141 VanDerWaalsContact CB-CD1 3.4Å; A139-W141 VanDerWaalsContact O-CD1 3.26Å; A139-W141 PolarHBondContact O-N 2.88Å; W141-L170 HydrophobicContact CB-CD2 3.66Å; W141-L170 HydrophobicContact CD2-CD2 4.03Å; W141-L170 HydrophobicContact CE3-CD2 3.38Å; W141-L170 HydrophobicContact CG-CD2 4.19Å; W141-L170 HydrophobicContact CZ3-CD2 4.25Å; W141-K171 PolarHBondContact O-N 3.42Å
142	V	82.1	Confident	67.5	Low	3 Å²	3	64.7 Å²	64.7	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	170.5	-178.6	0	0	0	0	108.9	M105 M106 F107 L144 A187 F190 L191	M105-V142 PolarHBondContact O-N 3.1Å; M105-V142 VanDerWaalsContact O-N 3.13Å; M106-V142 WeakPolarHBondContact CA-O 3.22Å; F107-V142 PolarHBondContact N-O 3.14Å; V142-L144 HydrophobicContact CG1-CD2 3.91Å; V142-L144 HydrophobicContact CG1-CG 4.24Å; V142-A187 HydrophobicContact CG1-CB 4.43Å; V142-F190 HydrophobicContact CG2-CD1 3.64Å; V142-F190 HydrophobicContact CG2-CE1 4.05Å; V142-L191 HydrophobicContact CG2-CB 3.88Å; V142-L191 HydrophobicContact CG2-CD1 3.99Å; V142-L191 HydrophobicContact CG2-CG 4.48Å
143	L	82	Confident	66.5	Low	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.6	177.9	-179.7	58.3	0	0	0	110.3	F107 F117 F164 L170 R172 W173 C174	F107-L143 HydrophobicContact CB-CD1 3.87Å; F107-L143 HydrophobicContact CD1-CD1 3.26Å; F107-L143 HydrophobicContact CE1-CD1 4.15Å; F107-L143 HydrophobicContact CG-CD1 3.92Å; F117-L143 HydrophobicContact CD1-CD1 3.97Å; F117-L143 HydrophobicContact CD1-CD2 4.21Å; F117-L143 HydrophobicContact CD1-CG 4.2Å; F117-L143 HydrophobicContact CD2-CD2 3.4Å; F117-L143 VanDerWaalsContact CD2-CD2 3.4Å; F117-L143 HydrophobicContact CD2-CG 4.11Å; F117-L143 HydrophobicContact CE1-CD1 3.7Å; F117-L143 HydrophobicContact CE1-CD2 4.07Å; F117-L143 HydrophobicContact CE1-CG 3.68Å; F117-L143 HydrophobicContact CE2-CD1 4.38Å; F117-L143 HydrophobicContact CE2-CD2 3.23Å; F117-L143 HydrophobicContact CE2-CG 3.57Å; F117-L143 HydrophobicContact CG-CD1 4.42Å; F117-L143 HydrophobicContact CG-CD2 3.9Å; F117-L143 HydrophobicContact CG-CG 4.39Å; F117-L143 HydrophobicContact CZ-CD1 3.95Å; F117-L143 HydrophobicContact CZ-CD2 3.61Å; F117-L143 HydrophobicContact CZ-CG 3.36Å; L143-F164 HydrophobicContact CD2-CD1 3.96Å; L143-F164 HydrophobicContact CD2-CE1 3.84Å; L143-L170 HydrophobicContact CB-CD1 4Å; L143-L170 HydrophobicContact CD2-CD1 3.66Å; L143-L170 HydrophobicContact CG-CD1 4.38Å; L143-R172 PolarHBondContact N-O 3.46Å; L143-W173 HydrophobicContact CB-CB 4.15Å; L143-W173 CarbonylContact O-C 3.59Å; L143-W173 WeakPolarHBondContact O-CA 3.42Å; L143-C174 PolarHBondContact O-N 3.47Å
144	L	84.2	Confident	65.7	Low	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.7	-178.8	-61.8	-178.1	0	0	0	111	I43 M106 F107 T108 G109 V142 C174 A187	I43-L144 HydrophobicContact CD1-CD1 3.34Å; M106-L144 HydrophobicContact CE-CD1 3.57Å; M106-L144 HydrophobicContact CG-CD1 3.48Å; M106-L144 VanDerWaalsContact CG-CD1 3.48Å; M106-L144 HydrophobicContact CG-CG 4.02Å; M106-L144 HydrophobicContact SD-CD1 3.27Å; M106-L144 WeakPolarHBondContact SD-CD1 3.27Å; M106-L144 HydrophobicContact SD-CG 4.35Å; F107-L144 PolarHBondContact O-N 3.05Å; T108-L144 CarbonylContact C-O 3.58Å; T108-L144 VanDerWaalsContact CA-O 3.29Å; T108-L144 WeakPolarHBondContact CA-O 3.3Å; T108-L144 HydrophobicContact CG2-CB 4.38Å; G109-L144 PolarHBondContact N-O 3.46Å; V142-L144 HydrophobicContact CG1-CD2 3.91Å; V142-L144 HydrophobicContact CG1-CG 4.24Å; L144-C174 WeakPolarHBondContact CA-O 3.29Å; L144-C174 HydrophobicContact CD2-CB 3.65Å; L144-A187 HydrophobicContact CD1-CB 3.97Å; L144-A187 HydrophobicContact CD2-CB 3.35Å; L144-A187 HydrophobicContact CG-CB 4.27Å
145	S	80.1	Confident	65	Low	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123	164.8	-176.9	0	0	0	0	109.2	G109 I111 K147 C174 S176	G109-S145 VanDerWaalsContact O-CA 3.3Å; G109-S145 WeakPolarHBondContact O-CA 3.45Å; I111-S145 WeakPolarHBondContact CD1-OG 3.13Å; I111-S145 WeakPolarHBondContact CG1-OG 3.48Å; I111-S145 PolarHBondContact N-OG 2.87Å; S145-K147 PolarHBondContact O-N 3.5Å; S145-C174 PolarHBondContact N-O 2.91Å; S145-S176 PolarHBondContact O-N 3.09Å
146	N	75.3	Confident	64.2	Low	20 Å²	20	66.6 Å²	66.6	11%	0.107	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.8	161.5	-169.8	15.7	0	0	0	108.1	V38 G109 F178	V38-N146 WeakPolarHBondContact O-CB 3.42Å; V38-N146 PolarHBondContact O-ND2 3.07Å; V38-N146 VanDerWaalsContact O-ND2 3.16Å; G109-N146 PolarHBondContact O-N 3.01Å; G109-N146 VanDerWaalsContact O-N 3.09Å; N146-F178 HydrophobicContact CB-CD2 3.96Å; N146-F178 HydrophobicContact CB-CE1 4.29Å; N146-F178 HydrophobicContact CB-CE2 3.41Å; N146-F178 VanDerWaalsContact CB-CE2 3.41Å; N146-F178 HydrophobicContact CB-CZ 3.6Å; N146-F178 VanDerWaalsContact CG-CE2 3.41Å; N146-F178 WeakPolarHBondContact ND2-CD2 3.47Å
147	K	69.8	Low	63.6	Low	25 Å²	25	64.3 Å²	64.3	11%	0.109	32%	0.319	C	S	.	.			trans	-131.6	100	176.4	-159.3	165	-173.5	168.9	0	108.6	S145 D149 S153 I175 S176	S145-K147 PolarHBondContact O-N 3.5Å; K147-D149 VanDerWaalsContact CG-OD1 3.26Å; K147-D149 WeakPolarHBondContact CG-OD1 2.97Å; K147-D149 PolarHBondContact O-N 3.37Å; K147-S153 VanDerWaalsContact NZ-CB 3.33Å; K147-S153 PolarHBondContact NZ-OG 2.82Å; K147-I175 HydrophobicContact CB-CG2 3.81Å; K147-I175 HydrophobicContact CD-CG2 4.28Å; K147-S176 PolarHBondContact N-O 2.94Å
148	L	55.3	Low	63.4	Low	103 Å²	103	64.9 Å²	64.9	54%	0.539	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	-178.3	-72	163.2	0	0	0	112.7	Q179	L148-Q179 HydrophobicContact CD2-CB 4.18Å
149	D	52.8	Low	63.6	Low	89 Å²	89	65.2 Å²	65.2	48%	0.476	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	53.7	-173	62	-41	0	0	0	111.5	K147 K151 R152	K147-D149 VanDerWaalsContact CG-OD1 3.26Å; K147-D149 WeakPolarHBondContact CG-OD1 2.97Å; K147-D149 PolarHBondContact O-N 3.37Å; D149-K151 PolarHBondContact O-N 3.44Å; D149-R152 PolarHBondContact O-N 2.93Å; D149-R152 VanDerWaalsContact O-N 3.15Å
150	L	54	Low	64	Low	68 Å²	68	69.9 Å²	69.9	36%	0.356	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-50.5	-22	178.8	-129.7	90.8	0	0	0	113.7	R152 I175 I182	L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.2Å; L150-I175 HydrophobicContact CD1-CG2 3.82Å; L150-I182 HydrophobicContact CD2-CD1 3.93Å; L150-I182 HydrophobicContact CD2-CG2 4.04Å
151	K	50.8	Low	64.2	Low	214 Å²	214	69 Å²	69	93%	0.93	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15.3	-179.5	-68.3	-174.8	178.2	-179.7	0	115.2	D149	D149-K151 PolarHBondContact O-N 3.44Å
152	R	47.4	Very low	64.2	Low	215 Å²	215	74.6 Å²	74.6	81%	0.811	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-112.5	-6.2	-177.2	-90.3	-177.2	170.5	162.1	-2.1	115.8	D149 L150 T154	D149-R152 PolarHBondContact O-N 2.93Å; D149-R152 VanDerWaalsContact O-N 3.15Å; L150-R152 VanDerWaalsContact C-N 3.27Å; L150-R152 PolarHBondContact O-N 3.2Å; R152-T154 VanDerWaalsContact C-N 3.3Å; R152-T154 PolarHBondContact O-N 2.71Å
153	S	48.3	Very low	64.2	Low	36 Å²	36	81.6 Å²	81.6	25%	0.252	40%	0.403	S	S	.	.			trans	-85.9	75.1	-177.2	-158.3	0	0	0	0	111.1	K147	K147-S153 VanDerWaalsContact NZ-CB 3.33Å; K147-S153 PolarHBondContact NZ-OG 2.82Å
154	T	48.3	Very low	64	Low	76 Å²	76	83.1 Å²	83.1	47%	0.466	41%	0.41	S	S	.	.			trans	-46.5	145.7	163.8	42.5	0	0	0	0	110.4	R152 R156	R152-T154 VanDerWaalsContact C-N 3.3Å; R152-T154 PolarHBondContact O-N 2.71Å; T154-R156 PolarHBondContact O-N 2.77Å; T154-R156 PolarHBondContact OG1-NE 2.79Å; T154-R156 PolarHBondContact OG1-NH2 3.25Å
155	S	50	Low	63.9	Low	114 Å²	114	83.4 Å²	83.4	80%	0.797	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-24.4	0.1	164.7	39.9	0	0	0	0	120.6
156	R	45.5	Very low	64	Low	202 Å²	202	91.8 Å²	91.8	76%	0.762	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-90	-7.2	-177.9	-71.8	-177.9	-83.2	169	-6.6	115.3	T154 S158	T154-R156 PolarHBondContact O-N 2.77Å; T154-R156 PolarHBondContact OG1-NE 2.79Å; T154-R156 PolarHBondContact OG1-NH2 3.25Å; R156-S158 VanDerWaalsContact C-N 3.3Å; R156-S158 PolarHBondContact O-N 3.13Å
157	G	53.8	Low	64.2	Low	8 Å²	8	95.2 Å²	95.2	8%	0.082	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-79.1	-0.9	177	0	0	0	0	0	115.6	T161	G157-T161 VanDerWaalsContact O-CB 3.26Å; G157-T161 WeakPolarHBondContact O-CB 3.1Å; G157-T161 PolarHBondContact O-OG1 2.95Å
158	S	65.6	Low	64.5	Low	60 Å²	60	95.5 Å²	95.5	42%	0.42	46%	0.463	S	S	.	.	H	α-helix	trans	-84.6	-44.1	-167.3	77.2	0	0	0	0	114.4	R156 H162	R156-S158 VanDerWaalsContact C-N 3.3Å; R156-S158 PolarHBondContact O-N 3.13Å; S158-H162 WeakPolarHBondContact O-CB 3.46Å; S158-H162 PolarHBondContact O-N 3.31Å
159	T	73.2	Confident	65.5	Low	109 Å²	109	91.3 Å²	91.3	67%	0.669	45%	0.445	S	S	*	.	H	α-helix	trans	-72.3	-48	-169.5	-47.3	0	0	0	0	113.4	H162 Y163	T159-H162 PolarHBondContact O-N 3.39Å; T159-Y163 PolarHBondContact O-N 3.39Å
160	L	74.6	Confident	66.7	Low	101 Å²	101	87.8 Å²	87.8	53%	0.529	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-39.4	-179.8	-67.4	175.3	0	0	0	111.7	T116 Y163 F164	T116-L160 HydrophobicContact CG2-CB 3.57Å; T116-L160 HydrophobicContact CG2-CD1 3.72Å; T116-L160 HydrophobicContact CG2-CG 4.26Å; L160-Y163 PolarHBondContact O-N 3.01Å; L160-F164 WeakPolarHBondContact O-CB 3.34Å; L160-F164 PolarHBondContact O-N 2.77Å
161	T	75.7	Confident	67.9	Low	0 Å²	0	88.9 Å²	88.9	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-66.6	-39.1	175.6	-56.9	0	0	0	0	111.6	G115 F117 G157 F164 C165 W173	G115-T161 PolarHBondContact O-OG1 2.95Å; F117-T161 HydrophobicContact CD2-CG2 3.96Å; F117-T161 HydrophobicContact CE2-CG2 3.54Å; G157-T161 VanDerWaalsContact O-CB 3.26Å; G157-T161 WeakPolarHBondContact O-CB 3.1Å; G157-T161 PolarHBondContact O-OG1 2.95Å; T161-F164 WeakPolarHBondContact O-CB 3.45Å; T161-F164 PolarHBondContact O-N 3.18Å; T161-C165 PolarHBondContact O-N 3.49Å; T161-C165 PolarHBondContact O-SG 3.14Å; T161-W173 HydrophobicContact CG2-CB 4.12Å; T161-W173 HydrophobicContact CG2-CD2 3.36Å; T161-W173 HydrophobicContact CG2-CE3 3.68Å; T161-W173 HydrophobicContact CG2-CG 3.54Å; T161-W173 HydrophobicContact CG2-CZ2 4.32Å; T161-W173 HydrophobicContact CG2-CZ3 4.26Å
162	H	79.6	Confident	69.4	Low	122 Å²	122	83.2 Å²	83.2	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-63.3	-44.8	174.2	-173.8	-82.4	0	0	0	111.5	S158 T159 F164 C165 Y166	S158-H162 WeakPolarHBondContact O-CB 3.46Å; S158-H162 PolarHBondContact O-N 3.31Å; T159-H162 PolarHBondContact O-N 3.39Å; H162-F164 VanDerWaalsContact C-N 3.35Å; H162-F164 PolarHBondContact O-N 2.91Å; H162-C165 PolarHBondContact O-N 3.08Å; H162-Y166 WeakPolarHBondContact O-CB 3.43Å; H162-Y166 PolarHBondContact O-N 3.29Å
163	Y	81.1	Confident	71.1	Confident	151 Å²	151	75.9 Å²	75.9	59%	0.592	37%	0.373	S	S	*	.	H	α-helix	trans	-61.4	-43.2	174.8	-174.9	-102.1	0	0	0	111.9	T159 L160 C165 Y166 I167	T159-Y163 PolarHBondContact O-N 3.39Å; L160-Y163 PolarHBondContact O-N 3.01Å; Y163-C165 PolarHBondContact O-N 3.1Å; Y163-Y166 WeakPolarHBondContact O-CB 3.16Å; Y163-Y166 PolarHBondContact O-N 3.47Å; Y163-I167 HydrophobicContact CD1-CG1 4.15Å; Y163-I167 HydrophobicContact CE1-CD1 4.23Å; Y163-I167 HydrophobicContact CE1-CG1 3.75Å; Y163-I167 HydrophobicContact CE2-CD1 4.31Å; Y163-I167 HydrophobicContact CE2-CG1 4.36Å; Y163-I167 WeakPolarHBondContact O-CG1 3.05Å; Y163-I167 PolarHBondContact O-N 3.35Å
164	F	79.4	Confident	72.6	Confident	33 Å²	33	74.6 Å²	74.6	15%	0.145	36%	0.364	C	S	.	.	H	α-helix	trans	-56.2	-49.8	173.5	-178.2	-87.3	0	0	0	111.5	L119 L124 L127 L143 L160 T161 H162 Y166 I167 F168 L170	L119-F164 HydrophobicContact CD1-CE1 4.17Å; L119-F164 HydrophobicContact CD1-CE2 4.3Å; L119-F164 HydrophobicContact CD1-CZ 3.52Å; L124-F164 HydrophobicContact CD2-CE2 3.46Å; L124-F164 VanDerWaalsContact CD2-CE2 3.46Å; L124-F164 HydrophobicContact CD2-CZ 3.65Å; L127-F164 HydrophobicContact CD1-CE1 4.41Å; L127-F164 HydrophobicContact CD1-CZ 4.02Å; L143-F164 HydrophobicContact CD2-CD1 3.96Å; L143-F164 HydrophobicContact CD2-CE1 3.84Å; L160-F164 WeakPolarHBondContact O-CB 3.34Å; L160-F164 PolarHBondContact O-N 2.77Å; T161-F164 WeakPolarHBondContact O-CB 3.45Å; T161-F164 PolarHBondContact O-N 3.18Å; H162-F164 VanDerWaalsContact C-N 3.35Å; H162-F164 PolarHBondContact O-N 2.91Å; F164-Y166 VanDerWaalsContact C-N 3.3Å; F164-Y166 PolarHBondContact O-N 2.76Å; F164-I167 PolarHBondContact O-N 3.02Å; F164-F168 HydrophobicContact CD1-CD2 4.05Å; F164-F168 AromaticContact CD2-CD2 3.92Å; F164-F168 HydrophobicContact CD2-CD2 3.92Å; F164-F168 AromaticContact CD2-CE2 3.7Å; F164-F168 HydrophobicContact CD2-CE2 3.7Å; F164-F168 AromaticContact CE1-CD2 3.7Å; F164-F168 HydrophobicContact CE1-CD2 3.7Å; F164-F168 HydrophobicContact CE1-CE2 4.2Å; F164-F168 HydrophobicContact CE1-CG 4.48Å; F164-F168 AromaticContact CE2-CD2 3.58Å; F164-F168 HydrophobicContact CE2-CD2 3.58Å; F164-F168 AromaticContact CE2-CE2 3.2Å; F164-F168 HydrophobicContact CE2-CE2 3.2Å; F164-F168 HydrophobicContact CE2-CZ 4.17Å; F164-F168 HydrophobicContact CG-CD2 4.13Å; F164-F168 HydrophobicContact CG-CE2 4.36Å; F164-F168 AromaticContact CZ-CD2 3.41Å; F164-F168 HydrophobicContact CZ-CD2 3.41Å; F164-F168 VanDerWaalsContact CZ-CD2 3.41Å; F164-F168 AromaticContact CZ-CE2 3.45Å; F164-F168 HydrophobicContact CZ-CE2 3.45Å; F164-F168 VanDerWaalsContact CZ-CE2 3.45Å; F164-F168 HydrophobicContact CZ-CG 4.32Å; F164-F168 HydrophobicContact CZ-CZ 4.34Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.45Å; F164-F168 PolarHBondContact O-N 2.68Å; F164-F168 VanDerWaalsContact O-N 3.13Å; F164-L170 HydrophobicContact CD1-CD1 4.21Å; F164-L170 HydrophobicContact CE1-CD1 3.96Å
165	C	80.6	Confident	74.2	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-40.7	178.2	-67.5	0	0	0	0	112.2	T161 H162 Y163 F168 G169 L170	T161-C165 PolarHBondContact O-N 3.49Å; T161-C165 PolarHBondContact O-SG 3.14Å; H162-C165 PolarHBondContact O-N 3.08Å; Y163-C165 PolarHBondContact O-N 3.1Å; C165-F168 PolarHBondContact O-N 3.1Å; C165-G169 PolarHBondContact O-N 3.43Å; C165-L170 HydrophobicContact CB-CB 3.93Å; C165-L170 HydrophobicContact CB-CD1 4.46Å; C165-L170 PolarHBondContact O-N 2.89Å
166	Y	82.4	Confident	75.8	Confident	175 Å²	175	67.1 Å²	67.1	69%	0.686	31%	0.312	S	S	*	.	H	α-helix	trans	-60.4	-46.8	176.7	179.7	-97.7	0	0	0	112.1	H162 Y163 F164 F168 G169	H162-Y166 WeakPolarHBondContact O-CB 3.43Å; H162-Y166 PolarHBondContact O-N 3.29Å; Y163-Y166 WeakPolarHBondContact O-CB 3.16Å; Y163-Y166 PolarHBondContact O-N 3.47Å; F164-Y166 VanDerWaalsContact C-N 3.3Å; F164-Y166 PolarHBondContact O-N 2.76Å; Y166-F168 PolarHBondContact O-N 2.92Å; Y166-G169 PolarHBondContact O-N 2.78Å
167	I	80.1	Confident	77.6	Confident	92 Å²	92	57.5 Å²	57.5	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-41.7	-179.5	-67.7	-63.6	0	0	0	112	Y163 F164 G169	Y163-I167 HydrophobicContact CD1-CG1 4.15Å; Y163-I167 HydrophobicContact CE1-CD1 4.23Å; Y163-I167 HydrophobicContact CE1-CG1 3.75Å; Y163-I167 HydrophobicContact CE2-CD1 4.31Å; Y163-I167 HydrophobicContact CE2-CG1 4.36Å; Y163-I167 WeakPolarHBondContact O-CG1 3.05Å; Y163-I167 PolarHBondContact O-N 3.35Å; F164-I167 PolarHBondContact O-N 3.02Å; I167-G169 VanDerWaalsContact C-N 3.32Å; I167-G169 PolarHBondContact O-N 3.16Å
168	F	75.1	Confident	79.1	Confident	31 Å²	31	57.1 Å²	57.1	14%	0.136	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5.6	-179.4	-69.1	-76.6	0	0	0	113.9	L124 L127 D128 F164 C165 Y166 L170	L124-F168 HydrophobicContact CB-CZ 4.26Å; L124-F168 HydrophobicContact CD2-CE2 4Å; L124-F168 HydrophobicContact CD2-CZ 3.74Å; L127-F168 HydrophobicContact CB-CD1 4.02Å; L127-F168 HydrophobicContact CB-CE1 4.39Å; D128-F168 HydrophobicContact CB-CE1 4.26Å; F164-F168 HydrophobicContact CD1-CD2 4.05Å; F164-F168 AromaticContact CD2-CD2 3.92Å; F164-F168 HydrophobicContact CD2-CD2 3.92Å; F164-F168 AromaticContact CD2-CE2 3.7Å; F164-F168 HydrophobicContact CD2-CE2 3.7Å; F164-F168 AromaticContact CE1-CD2 3.7Å; F164-F168 HydrophobicContact CE1-CD2 3.7Å; F164-F168 HydrophobicContact CE1-CE2 4.2Å; F164-F168 HydrophobicContact CE1-CG 4.48Å; F164-F168 AromaticContact CE2-CD2 3.58Å; F164-F168 HydrophobicContact CE2-CD2 3.58Å; F164-F168 AromaticContact CE2-CE2 3.2Å; F164-F168 HydrophobicContact CE2-CE2 3.2Å; F164-F168 HydrophobicContact CE2-CZ 4.17Å; F164-F168 HydrophobicContact CG-CD2 4.13Å; F164-F168 HydrophobicContact CG-CE2 4.36Å; F164-F168 AromaticContact CZ-CD2 3.41Å; F164-F168 HydrophobicContact CZ-CD2 3.41Å; F164-F168 VanDerWaalsContact CZ-CD2 3.41Å; F164-F168 AromaticContact CZ-CE2 3.45Å; F164-F168 HydrophobicContact CZ-CE2 3.45Å; F164-F168 VanDerWaalsContact CZ-CE2 3.45Å; F164-F168 HydrophobicContact CZ-CG 4.32Å; F164-F168 HydrophobicContact CZ-CZ 4.34Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.45Å; F164-F168 PolarHBondContact O-N 2.68Å; F164-F168 VanDerWaalsContact O-N 3.13Å; C165-F168 PolarHBondContact O-N 3.1Å; Y166-F168 PolarHBondContact O-N 2.92Å; F168-L170 VanDerWaalsContact C-N 3.25Å; F168-L170 HydrophobicContact CB-CD1 4.21Å; F168-L170 HydrophobicContact CB-CD2 4.18Å; F168-L170 HydrophobicContact CB-CG 3.88Å; F168-L170 PolarHBondContact O-N 2.85Å
169	G	77	Confident	80	Confident	15 Å²	15	57.8 Å²	57.8	16%	0.155	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	23.9	179.4	0	0	0	0	0	114.4	C165 Y166 I167	C165-G169 PolarHBondContact O-N 3.43Å; Y166-G169 PolarHBondContact O-N 2.78Å; I167-G169 VanDerWaalsContact C-N 3.32Å; I167-G169 PolarHBondContact O-N 3.16Å
170	L	79.3	Confident	80.6	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.079	26%	0.26	C	S	.	.			trans	-75.6	130	-179.3	-48.5	179.8	0	0	0	109.7	W141 L143 F164 C165 F168	W141-L170 HydrophobicContact CB-CD2 3.66Å; W141-L170 HydrophobicContact CD2-CD2 4.03Å; W141-L170 HydrophobicContact CE3-CD2 3.38Å; W141-L170 HydrophobicContact CG-CD2 4.19Å; W141-L170 HydrophobicContact CZ3-CD2 4.25Å; L143-L170 HydrophobicContact CB-CD1 4Å; L143-L170 HydrophobicContact CD2-CD1 3.66Å; L143-L170 HydrophobicContact CG-CD1 4.38Å; F164-L170 HydrophobicContact CD1-CD1 4.21Å; F164-L170 HydrophobicContact CE1-CD1 3.96Å; C165-L170 HydrophobicContact CB-CB 3.93Å; C165-L170 HydrophobicContact CB-CD1 4.46Å; C165-L170 PolarHBondContact O-N 2.89Å; F168-L170 VanDerWaalsContact C-N 3.25Å; F168-L170 HydrophobicContact CB-CD1 4.21Å; F168-L170 HydrophobicContact CB-CD2 4.18Å; F168-L170 HydrophobicContact CB-CG 3.88Å; F168-L170 PolarHBondContact O-N 2.85Å
171	K	78.1	Confident	81.1	Confident	92 Å²	92	54.5 Å²	54.5	40%	0.4	25%	0.247	S	C	.	.	S	Bend	trans	-73.3	-30.5	-175.6	-62.6	-60.1	-176	-170.4	0	112.7	W141 F190	W141-K171 PolarHBondContact O-N 3.42Å; K171-F190 HydrophobicContact CB-CE1 3.97Å; K171-F190 HydrophobicContact CB-CZ 4.06Å
172	R	81.7	Confident	81.6	Confident	95 Å²	95	57.1 Å²	57.1	36%	0.358	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	155.4	177.7	-176.8	173.5	-71.6	-148	2.8	111.6	L143 E186 F190	L143-R172 PolarHBondContact N-O 3.46Å; R172-E186 IonicContact NH1-OE1 3.54Å; R172-F190 HydrophobicContact CB-CD1 3.65Å; R172-F190 HydrophobicContact CB-CE1 3.14Å; R172-F190 HydrophobicContact CB-CE2 4.26Å; R172-F190 HydrophobicContact CB-CG 4.39Å; R172-F190 HydrophobicContact CB-CZ 3.46Å; R172-F190 VanDerWaalsContact CB-CZ 3.46Å; R172-F190 HydrophobicContact CG-CD1 4.21Å; R172-F190 HydrophobicContact CG-CE1 4.1Å; R172-F190 HydrophobicContact CG-CZ 4.32Å; R172-F190 VanDerWaalsContact CZ-CE2 3.46Å; R172-F190 VanDerWaalsContact NH2-CD2 3.35Å; R172-F190 VanDerWaalsContact NH2-CE2 3.34Å
173	W	83.1	Confident	81.9	Confident	60 Å²	60	54.1 Å²	54.1	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.8	162	62.6	-80.7	0	0	0	110.8	L143 T161 I175	L143-W173 HydrophobicContact CB-CB 4.15Å; L143-W173 CarbonylContact O-C 3.59Å; L143-W173 WeakPolarHBondContact O-CA 3.42Å; T161-W173 HydrophobicContact CG2-CB 4.12Å; T161-W173 HydrophobicContact CG2-CD2 3.36Å; T161-W173 HydrophobicContact CG2-CE3 3.68Å; T161-W173 HydrophobicContact CG2-CG 3.54Å; T161-W173 HydrophobicContact CG2-CZ2 4.32Å; T161-W173 HydrophobicContact CG2-CZ3 4.26Å; W173-I175 HydrophobicContact CE3-CG1 4.22Å; W173-I175 HydrophobicContact CZ3-CD1 3.76Å; W173-I175 HydrophobicContact CZ3-CG1 3.73Å
174	C	80.8	Confident	82.2	Confident	10 Å²	10	47 Å²	47	7%	0.068	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.5	172.3	-52.4	0	0	0	0	110.4	L143 L144 S145	L143-C174 PolarHBondContact O-N 3.47Å; L144-C174 WeakPolarHBondContact CA-O 3.29Å; L144-C174 HydrophobicContact CD2-CB 3.65Å; S145-C174 PolarHBondContact N-O 2.91Å
175	I	81.2	Confident	82.7	Confident	32 Å²	32	48 Å²	48	16%	0.164	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.6	164	-63	168.9	0	0	0	106.9	I111 K147 L150 W173 N183	I111-I175 HydrophobicContact CD1-CD1 4.07Å; I111-I175 HydrophobicContact CD1-CG1 3.77Å; K147-I175 HydrophobicContact CB-CG2 3.81Å; K147-I175 HydrophobicContact CD-CG2 4.28Å; L150-I175 HydrophobicContact CD1-CG2 3.82Å; W173-I175 HydrophobicContact CE3-CG1 4.22Å; W173-I175 HydrophobicContact CZ3-CD1 3.76Å; W173-I175 HydrophobicContact CZ3-CG1 3.73Å; I175-N183 WeakPolarHBondContact O-CB 3.26Å; I175-N183 PolarHBondContact O-ND2 3.5Å
176	S	83.4	Confident	83	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.8	-175.3	-57.5	0	0	0	0	111.1	S145 K147 I182	S145-S176 PolarHBondContact O-N 3.09Å; K147-S176 PolarHBondContact N-O 2.94Å; S176-I182 WeakPolarHBondContact CA-O 3.47Å; S176-I182 VanDerWaalsContact CB-O 3.24Å; S176-I182 WeakPolarHBondContact CB-O 3.15Å
177	S	84.3	Confident	83.2	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-112.5	110.4	162.9	175	0	0	0	0	107.9	Q179 D180 N181 I182	S177-Q179 PolarHBondContact O-N 2.87Å; S177-D180 PolarHBondContact O-N 3.04Å; S177-D180 WeakPolarHBondContact OG-CB 3.22Å; S177-D180 VanDerWaalsContact OG-CG 3.32Å; S177-D180 PolarHBondContact OG-N 3.13Å; S177-D180 VanDerWaalsContact OG-N 3.1Å; S177-D180 PolarHBondContact OG-OD2 2.81Å; S177-N181 WeakPolarHBondContact O-CA 3.45Å; S177-N181 PolarHBondContact O-N 3.32Å; S177-I182 PolarHBondContact N-O 3.28Å; S177-I182 VanDerWaalsContact N-O 3.1Å; S177-I182 PolarHBondContact O-N 2.84Å
178	F	85.7	Confident	83.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.2	178.5	-52.4	-20.5	0	0	0	111.3	G39 I43 R46 F52 T108 N146 V184	G39-F178 WeakPolarHBondContact O-CD2 3.43Å; G39-F178 WeakPolarHBondContact O-CE2 3.24Å; I43-F178 HydrophobicContact CB-CD1 3.87Å; I43-F178 HydrophobicContact CB-CD2 3.85Å; I43-F178 HydrophobicContact CB-CE1 3.84Å; I43-F178 HydrophobicContact CB-CE2 3.79Å; I43-F178 HydrophobicContact CB-CG 3.9Å; I43-F178 HydrophobicContact CB-CZ 3.79Å; I43-F178 HydrophobicContact CD1-CD1 3.88Å; I43-F178 HydrophobicContact CD1-CE1 3.36Å; I43-F178 HydrophobicContact CD1-CZ 3.82Å; I43-F178 HydrophobicContact CG1-CD1 4.09Å; I43-F178 HydrophobicContact CG1-CE1 4Å; I43-F178 HydrophobicContact CG1-CZ 4.35Å; I43-F178 HydrophobicContact CG2-CE2 4.1Å; I43-F178 HydrophobicContact CG2-CZ 4.15Å; R46-F178 WeakPolarHBondContact CG-O 3.32Å; R46-F178 PolarHBondContact NE-O 2.86Å; F52-F178 HydrophobicContact CD2-CB 4.49Å; F52-F178 HydrophobicContact CE2-CB 4.4Å; T108-F178 HydrophobicContact CG2-CZ 4.35Å; N146-F178 HydrophobicContact CB-CD2 3.96Å; N146-F178 HydrophobicContact CB-CE1 4.29Å; N146-F178 HydrophobicContact CB-CE2 3.41Å; N146-F178 VanDerWaalsContact CB-CE2 3.41Å; N146-F178 HydrophobicContact CB-CZ 3.6Å; N146-F178 VanDerWaalsContact CG-CE2 3.41Å; N146-F178 WeakPolarHBondContact ND2-CD2 3.47Å; F178-V184 HydrophobicContact CD1-CG2 4Å
179	Q	84.6	Confident	84.2	Confident	74 Å²	74	44.7 Å²	44.7	35%	0.346	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-47.3	175	179.6	171.4	-20.5	0	0	111	R46 F52 L148 S177	R46-Q179 PolarHBondContact NH2-O 2.74Å; F52-Q179 HydrophobicContact CD1-CB 4.1Å; F52-Q179 HydrophobicContact CD1-CG 3.91Å; F52-Q179 HydrophobicContact CD2-CB 4.37Å; F52-Q179 HydrophobicContact CE1-CB 3.79Å; F52-Q179 HydrophobicContact CE1-CG 3.73Å; F52-Q179 HydrophobicContact CE2-CB 4.09Å; F52-Q179 HydrophobicContact CG-CB 4.38Å; F52-Q179 HydrophobicContact CZ-CB 3.79Å; F52-Q179 HydrophobicContact CZ-CG 4.25Å; L148-Q179 HydrophobicContact CD2-CB 4.18Å; S177-Q179 PolarHBondContact O-N 2.87Å
180	D	84.4	Confident	84.8	Confident	95 Å²	95	45 Å²	45	51%	0.508	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.1	-173.6	-50.2	-53.7	0	0	0	113.3	S177 I182	S177-D180 PolarHBondContact O-N 3.04Å; S177-D180 WeakPolarHBondContact OG-CB 3.22Å; S177-D180 VanDerWaalsContact OG-CG 3.32Å; S177-D180 PolarHBondContact OG-N 3.13Å; S177-D180 VanDerWaalsContact OG-N 3.1Å; S177-D180 PolarHBondContact OG-OD2 2.81Å; D180-I182 VanDerWaalsContact C-N 3.28Å; D180-I182 HydrophobicContact CB-CD1 3.81Å; D180-I182 HydrophobicContact CB-CG1 3.87Å; D180-I182 PolarHBondContact O-N 3Å
181	N	85.7	Confident	85.2	Confident	47 Å²	47	44.5 Å²	44.5	25%	0.251	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	38.5	-173.5	-160.5	43.6	0	0	0	114.3	R46 S177 V184 D185	R46-N181 VanDerWaalsContact CD-OD1 3.3Å; R46-N181 WeakPolarHBondContact CD-OD1 3.32Å; R46-N181 HydrophobicContact CG-CB 4.42Å; R46-N181 VanDerWaalsContact CG-OD1 3.26Å; R46-N181 WeakPolarHBondContact CG-OD1 3.34Å; S177-N181 WeakPolarHBondContact O-CA 3.45Å; S177-N181 PolarHBondContact O-N 3.32Å; N181-V184 WeakPolarHBondContact OD1-CB 3.3Å; N181-D185 PolarHBondContact ND2-OD2 3.33Å; N181-D185 VanDerWaalsContact ND2-OD2 3.1Å
182	I	86	Confident	85.7	Confident	54 Å²	54	40.1 Å²	40.1	28%	0.277	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-90.4	125.9	179.1	-60	172.8	0	0	0	108.9	L150 S176 S177 D180 V184	L150-I182 HydrophobicContact CD2-CD1 3.93Å; L150-I182 HydrophobicContact CD2-CG2 4.04Å; S176-I182 WeakPolarHBondContact CA-O 3.47Å; S176-I182 VanDerWaalsContact CB-O 3.24Å; S176-I182 WeakPolarHBondContact CB-O 3.15Å; S177-I182 PolarHBondContact N-O 3.28Å; S177-I182 VanDerWaalsContact N-O 3.1Å; S177-I182 PolarHBondContact O-N 2.84Å; D180-I182 VanDerWaalsContact C-N 3.28Å; D180-I182 HydrophobicContact CB-CD1 3.81Å; D180-I182 HydrophobicContact CB-CG1 3.87Å; D180-I182 PolarHBondContact O-N 3Å; I182-V184 PolarHBondContact O-N 3.03Å; I182-V184 VanDerWaalsContact O-N 3.1Å
183	N	85.9	Confident	86	Confident	60 Å²	60	39.8 Å²	39.8	32%	0.321	19%	0.19	S	C	.	.	S	Bend	trans	60.6	9.8	176	-59.2	-14.9	0	0	0	116.3	I175 E186 A187	I175-N183 WeakPolarHBondContact O-CB 3.26Å; I175-N183 PolarHBondContact O-ND2 3.5Å; N183-E186 PolarHBondContact OD1-OE2 2.89Å; N183-A187 WeakPolarHBondContact O-CB 3.39Å; N183-A187 PolarHBondContact O-N 3.03Å
184	V	87.8	Confident	86.1	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-53	176.5	176.3	0	0	0	0	110.9	I43 R46 Y47 F178 N181 I182 E186 A187 A188	I43-V184 HydrophobicContact CD1-CG1 4.19Å; I43-V184 HydrophobicContact CD1-CG2 4.38Å; I43-V184 HydrophobicContact CG1-CG1 3.89Å; I43-V184 HydrophobicContact CG1-CG2 4.44Å; R46-V184 HydrophobicContact CG-CG1 4.22Å; R46-V184 HydrophobicContact CG-CG2 4.13Å; Y47-V184 HydrophobicContact CD2-CG1 4.08Å; Y47-V184 HydrophobicContact CG-CG1 4.29Å; F178-V184 HydrophobicContact CD1-CG2 4Å; N181-V184 WeakPolarHBondContact OD1-CB 3.3Å; I182-V184 PolarHBondContact O-N 3.03Å; I182-V184 VanDerWaalsContact O-N 3.1Å; V184-E186 VanDerWaalsContact C-N 3.35Å; V184-E186 PolarHBondContact O-N 3.47Å; V184-A187 PolarHBondContact O-N 3.01Å; V184-A188 PolarHBondContact O-N 3.05Å; V184-A188 VanDerWaalsContact O-N 3.14Å
185	D	88.9	Confident	86.2	Confident	53 Å²	53	37.9 Å²	37.9	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-66.1	-36.6	178.5	-68.5	-75.7	0	0	0	112.2	Y47 N181 A188 R189	Y47-D185 WeakPolarHBondContact CE2-OD1 3.36Å; N181-D185 PolarHBondContact ND2-OD2 3.33Å; N181-D185 VanDerWaalsContact ND2-OD2 3.1Å; D185-A188 PolarHBondContact O-N 3.32Å; D185-R189 VanDerWaalsContact O-CB 3.24Å; D185-R189 WeakPolarHBondContact O-CB 3.44Å; D185-R189 PolarHBondContact O-N 2.77Å
186	E	87.9	Confident	86.4	Confident	95 Å²	95	38.5 Å²	38.5	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-45.4	177.8	-168.7	-168.7	159	0	0	111.4	R172 N183 V184 A188 R189 F190	R172-E186 IonicContact NH1-OE1 3.54Å; N183-E186 PolarHBondContact OD1-OE2 2.89Å; V184-E186 VanDerWaalsContact C-N 3.35Å; V184-E186 PolarHBondContact O-N 3.47Å; E186-A188 PolarHBondContact O-N 3.4Å; E186-R189 PolarHBondContact O-N 3.46Å; E186-F190 PolarHBondContact O-N 3.35Å
187	A	86	Confident	86.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-46.6	176.2	0	0	0	0	0	112.4	V142 L144 N183 V184 F190 L191	V142-A187 HydrophobicContact CG1-CB 4.43Å; L144-A187 HydrophobicContact CD1-CB 3.97Å; L144-A187 HydrophobicContact CD2-CB 3.35Å; L144-A187 HydrophobicContact CG-CB 4.27Å; N183-A187 WeakPolarHBondContact O-CB 3.39Å; N183-A187 PolarHBondContact O-N 3.03Å; V184-A187 PolarHBondContact O-N 3.01Å; A187-F190 PolarHBondContact O-N 3.14Å; A187-L191 PolarHBondContact O-N 3.11Å; A187-L191 VanDerWaalsContact O-N 3.07Å
188	A	87.6	Confident	85.7	Confident	8 Å²	8	47.9 Å²	47.9	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-42.3	178.2	0	0	0	0	0	111.4	Y47 V184 D185 E186 L191 V192	Y47-A188 HydrophobicContact CD1-CB 4.38Å; Y47-A188 HydrophobicContact CD2-CB 4.21Å; Y47-A188 HydrophobicContact CE1-CB 3.78Å; Y47-A188 HydrophobicContact CE2-CB 3.59Å; Y47-A188 WeakPolarHBondContact OH-CB 3.45Å; V184-A188 PolarHBondContact O-N 3.05Å; V184-A188 VanDerWaalsContact O-N 3.14Å; D185-A188 PolarHBondContact O-N 3.32Å; E186-A188 PolarHBondContact O-N 3.4Å; A188-L191 WeakPolarHBondContact O-CB 3.28Å; A188-L191 PolarHBondContact O-N 2.97Å; A188-V192 WeakPolarHBondContact O-CG2 3.33Å; A188-V192 PolarHBondContact O-N 3.06Å
189	R	89.7	Confident	84.9	Confident	130 Å²	130	51 Å²	51	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-47.6	176.3	-174.8	180	-106.7	98.9	-3.4	111.4	W71 D185 E186 L191 V192 E193	W71-R189 HydrophobicContact CH2-CG 3.59Å; W71-R189 HydrophobicContact CZ3-CG 3.78Å; D185-R189 VanDerWaalsContact O-CB 3.24Å; D185-R189 WeakPolarHBondContact O-CB 3.44Å; D185-R189 PolarHBondContact O-N 2.77Å; E186-R189 PolarHBondContact O-N 3.46Å; R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 3.24Å; R189-V192 PolarHBondContact O-N 3.34Å; R189-V192 VanDerWaalsContact O-N 3.12Å; R189-E193 WeakPolarHBondContact CG-OE1 3.47Å; R189-E193 WeakPolarHBondContact O-CG 3.22Å; R189-E193 PolarHBondContact O-N 2.81Å
190	F	88.4	Confident	83.6	Confident	22 Å²	22	57.3 Å²	57.3	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-40.4	177.2	177.1	-95.1	0	0	0	112.2	V142 K171 R172 E186 A187 E193 N194	V142-F190 HydrophobicContact CG2-CD1 3.64Å; V142-F190 HydrophobicContact CG2-CE1 4.05Å; K171-F190 HydrophobicContact CB-CE1 3.97Å; K171-F190 HydrophobicContact CB-CZ 4.06Å; R172-F190 HydrophobicContact CB-CD1 3.65Å; R172-F190 HydrophobicContact CB-CE1 3.14Å; R172-F190 HydrophobicContact CB-CE2 4.26Å; R172-F190 HydrophobicContact CB-CG 4.39Å; R172-F190 HydrophobicContact CB-CZ 3.46Å; R172-F190 VanDerWaalsContact CB-CZ 3.46Å; R172-F190 HydrophobicContact CG-CD1 4.21Å; R172-F190 HydrophobicContact CG-CE1 4.1Å; R172-F190 HydrophobicContact CG-CZ 4.32Å; R172-F190 VanDerWaalsContact CZ-CE2 3.46Å; R172-F190 VanDerWaalsContact NH2-CD2 3.35Å; R172-F190 VanDerWaalsContact NH2-CE2 3.34Å; E186-F190 PolarHBondContact O-N 3.35Å; A187-F190 PolarHBondContact O-N 3.14Å; F190-E193 PolarHBondContact O-N 3.37Å; F190-N194 WeakPolarHBondContact CD1-ND2 3.44Å; F190-N194 WeakPolarHBondContact CD2-ND2 3.44Å; F190-N194 WeakPolarHBondContact CE1-ND2 3.3Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.45Å; F190-N194 WeakPolarHBondContact CZ-ND2 3.26Å; F190-N194 PolarHBondContact O-N 3.16Å; F190-N194 PolarHBondContact O-ND2 3.47Å
191	L	87.4	Confident	82.1	Confident	5 Å²	5	53 Å²	53	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-48.6	174.6	-179.9	62.4	0	0	0	110.5	V30 R104 P140 V142 A187 A188 R189 E193 N194 I195	V30-L191 HydrophobicContact CB-CD2 4.47Å; V30-L191 HydrophobicContact CG1-CD2 3.6Å; V30-L191 HydrophobicContact CG2-CD2 3.99Å; R104-L191 HydrophobicContact CB-CD1 4.4Å; P140-L191 HydrophobicContact CB-CD1 4.43Å; V142-L191 HydrophobicContact CG2-CB 3.88Å; V142-L191 HydrophobicContact CG2-CD1 3.99Å; V142-L191 HydrophobicContact CG2-CG 4.48Å; A187-L191 PolarHBondContact O-N 3.11Å; A187-L191 VanDerWaalsContact O-N 3.07Å; A188-L191 WeakPolarHBondContact O-CB 3.28Å; A188-L191 PolarHBondContact O-N 2.97Å; R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 3.24Å; L191-E193 PolarHBondContact O-N 2.9Å; L191-N194 PolarHBondContact O-N 3.13Å; L191-I195 HydrophobicContact CD1-CD1 4.03Å; L191-I195 HydrophobicContact CD1-CG1 4.41Å; L191-I195 HydrophobicContact CG-CD1 3.73Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 VanDerWaalsContact O-CD1 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.08Å; L191-I195 WeakPolarHBondContact O-CG1 3.26Å; L191-I195 PolarHBondContact O-N 2.99Å
192	V	89	Confident	80.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-42.2	178.6	175.8	0	0	0	0	112.3	I69 W71 V77 L79 A188 R189 N194 I195 L196	I69-V192 HydrophobicContact CD1-CG2 4.15Å; W71-V192 HydrophobicContact CD2-CG1 4.26Å; W71-V192 HydrophobicContact CE3-CB 4.46Å; W71-V192 HydrophobicContact CE3-CG1 3.64Å; W71-V192 HydrophobicContact CH2-CG1 4.31Å; W71-V192 HydrophobicContact CZ3-CB 4.01Å; W71-V192 HydrophobicContact CZ3-CG1 3.65Å; V77-V192 HydrophobicContact CG1-CG1 4.13Å; V77-V192 HydrophobicContact CG2-CG1 4.3Å; L79-V192 HydrophobicContact CD1-CG2 3.76Å; L79-V192 HydrophobicContact CD2-CG2 3.93Å; L79-V192 HydrophobicContact CG-CG2 4.34Å; A188-V192 WeakPolarHBondContact O-CG2 3.33Å; A188-V192 PolarHBondContact O-N 3.06Å; R189-V192 PolarHBondContact O-N 3.34Å; R189-V192 VanDerWaalsContact O-N 3.12Å; V192-N194 PolarHBondContact O-N 3.26Å; V192-I195 WeakPolarHBondContact O-CB 3.3Å; V192-I195 PolarHBondContact O-N 3.24Å; V192-L196 HydrophobicContact CG1-CD1 3.74Å; V192-L196 HydrophobicContact CG1-CG 4.26Å; V192-L196 WeakPolarHBondContact O-CG 3.29Å; V192-L196 PolarHBondContact O-N 3.26Å
193	E	88.6	Confident	79	Confident	87 Å²	87	59.7 Å²	59.7	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-48.6	175.8	-73.5	170.8	-174.9	0	0	111.7	W71 R189 F190 L191 I195 L196 A197	W71-E193 HydrophobicContact CH2-CG 3.34Å; W71-E193 HydrophobicContact CZ2-CG 3.49Å; W71-E193 VanDerWaalsContact CZ2-CG 3.49Å; R189-E193 WeakPolarHBondContact CG-OE1 3.47Å; R189-E193 WeakPolarHBondContact O-CG 3.22Å; R189-E193 PolarHBondContact O-N 2.81Å; F190-E193 PolarHBondContact O-N 3.37Å; L191-E193 PolarHBondContact O-N 2.9Å; E193-I195 PolarHBondContact O-N 3.46Å; E193-L196 PolarHBondContact O-N 2.86Å; E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 2.98Å
194	N	84.4	Confident	77.2	Confident	29 Å²	29	60.4 Å²	60.4	16%	0.155	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-34.9	179.1	-82.2	-96.5	0	0	0	111.6	P140 F190 L191 V192 N198	P140-N194 HydrophobicContact CB-CB 4.37Å; F190-N194 WeakPolarHBondContact CD1-ND2 3.44Å; F190-N194 WeakPolarHBondContact CD2-ND2 3.44Å; F190-N194 WeakPolarHBondContact CE1-ND2 3.3Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.45Å; F190-N194 WeakPolarHBondContact CZ-ND2 3.26Å; F190-N194 PolarHBondContact O-N 3.16Å; F190-N194 PolarHBondContact O-ND2 3.47Å; L191-N194 PolarHBondContact O-N 3.13Å; V192-N194 PolarHBondContact O-N 3.26Å; N194-N198 WeakPolarHBondContact O-CB 3.42Å; N194-N198 PolarHBondContact O-N 3.37Å; N194-N198 VanDerWaalsContact O-N 3.13Å; N194-N198 PolarHBondContact O-ND2 3.47Å
195	I	83	Confident	75.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-53.6	174.8	-72	162.4	0	0	0	110.3	F28 R104 P140 L191 V192 E193 A197 N198 D199	F28-I195 HydrophobicContact CD1-CG2 3.74Å; F28-I195 HydrophobicContact CD2-CD1 4.47Å; F28-I195 HydrophobicContact CD2-CG2 3.76Å; F28-I195 HydrophobicContact CE1-CG2 3.45Å; F28-I195 VanDerWaalsContact CE1-CG2 3.45Å; F28-I195 HydrophobicContact CE2-CB 4.41Å; F28-I195 HydrophobicContact CE2-CG2 3.5Å; F28-I195 VanDerWaalsContact CE2-CG2 3.5Å; F28-I195 HydrophobicContact CG-CG2 3.89Å; F28-I195 HydrophobicContact CZ-CG2 3.32Å; R104-I195 HydrophobicContact CB-CD1 3.94Å; R104-I195 HydrophobicContact CB-CG1 4.44Å; R104-I195 HydrophobicContact CG-CD1 3.5Å; R104-I195 HydrophobicContact CG-CG1 3.65Å; P140-I195 HydrophobicContact CG-CG1 4.18Å; L191-I195 HydrophobicContact CD1-CD1 4.03Å; L191-I195 HydrophobicContact CD1-CG1 4.41Å; L191-I195 HydrophobicContact CG-CD1 3.73Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 VanDerWaalsContact O-CD1 3.29Å; L191-I195 WeakPolarHBondContact O-CD1 3.08Å; L191-I195 WeakPolarHBondContact O-CG1 3.26Å; L191-I195 PolarHBondContact O-N 2.99Å; V192-I195 WeakPolarHBondContact O-CB 3.3Å; V192-I195 PolarHBondContact O-N 3.24Å; E193-I195 PolarHBondContact O-N 3.46Å; I195-A197 PolarHBondContact O-N 3.09Å; I195-N198 PolarHBondContact O-N 3.15Å; I195-D199 HydrophobicContact CG2-CB 4.48Å; I195-D199 WeakPolarHBondContact O-CA 3.35Å; I195-D199 VanDerWaalsContact O-CB 3.3Å; I195-D199 WeakPolarHBondContact O-CB 3.48Å; I195-D199 PolarHBondContact O-N 3Å
196	L	84.9	Confident	72.8	Confident	45 Å²	45	72.2 Å²	72.2	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-31.4	-176.7	-71.3	169.5	0	0	0	112.1	Y26 F28 W71 V77 V192 E193	Y26-L196 HydrophobicContact CD2-CD2 3.76Å; Y26-L196 HydrophobicContact CE2-CD2 3.91Å; Y26-L196 HydrophobicContact CG-CD2 4.11Å; F28-L196 HydrophobicContact CE2-CD2 3.89Å; F28-L196 HydrophobicContact CE2-CG 4.19Å; F28-L196 HydrophobicContact CZ-CD2 3.71Å; F28-L196 HydrophobicContact CZ-CG 4.33Å; W71-L196 HydrophobicContact CD2-CD1 3.97Å; W71-L196 HydrophobicContact CG-CD1 4.11Å; W71-L196 HydrophobicContact CZ2-CD1 4.48Å; V77-L196 HydrophobicContact CG2-CD1 4.35Å; V192-L196 HydrophobicContact CG1-CD1 3.74Å; V192-L196 HydrophobicContact CG1-CG 4.26Å; V192-L196 WeakPolarHBondContact O-CG 3.29Å; V192-L196 PolarHBondContact O-N 3.26Å; E193-L196 PolarHBondContact O-N 2.86Å
197	A	82.1	Confident	70.2	Confident	81 Å²	81	72.9 Å²	72.9	67%	0.669	38%	0.378	S	S	*	.	H	α-helix	trans	-73.4	-36.7	177.2	0	0	0	0	0	113.4	E193 I195	E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.29Å; E193-A197 PolarHBondContact O-N 2.98Å; I195-A197 PolarHBondContact O-N 3.09Å
198	N	72.3	Confident	67.9	Low	117 Å²	117	79.2 Å²	79.2	63%	0.626	41%	0.411	S	S	*	.	H	α-helix	trans	-101.8	-23.3	-172.6	-65.3	-55.1	0	0	0	113.7	N194 I195	N194-N198 WeakPolarHBondContact O-CB 3.42Å; N194-N198 PolarHBondContact O-N 3.37Å; N194-N198 VanDerWaalsContact O-N 3.13Å; N194-N198 PolarHBondContact O-ND2 3.47Å; I195-N198 PolarHBondContact O-N 3.15Å
199	D	67.4	Low	65.5	Low	65 Å²	65	81.4 Å²	81.4	35%	0.348	44%	0.435	S	S	.	.			trans	-124.7	111	-174.1	-151.7	8.6	0	0	0	107.9	R104 I195 G201	R104-D199 IonicContact CZ-OD2 3.43Å; R104-D199 IonicContact NH1-OD2 3.59Å; R104-D199 IonicContact NH2-OD2 2.66Å; R104-D199 PolarHBondContact NH2-OD2 3.33Å; I195-D199 HydrophobicContact CG2-CB 4.48Å; I195-D199 WeakPolarHBondContact O-CA 3.35Å; I195-D199 VanDerWaalsContact O-CB 3.3Å; I195-D199 WeakPolarHBondContact O-CB 3.48Å; I195-D199 PolarHBondContact O-N 3Å; D199-G201 PolarHBondContact O-N 2.88Å
200	K	58.3	Low	62.9	Low	207 Å²	207	82.2 Å²	82.2	90%	0.9	45%	0.449	S	S	*	.			trans	-70.4	72.1	165.7	-67.5	-175.4	-176.6	-179.1	0	106.9
201	G	52.8	Low	60.3	Low	5 Å²	5	91.1 Å²	91.1	5%	0.052	48%	0.482	C	S	.	.			trans	-42.7	148.9	-170	0	0	0	0	0	112.4	D199 P203	D199-G201 PolarHBondContact O-N 2.88Å; G201-P203 WeakPolarHBondContact O-CD 3.39Å; G201-P203 VanDerWaalsContact O-N 3.13Å
202	L	52.8	Low	58	Low	148 Å²	148	97.4 Å²	97.4	78%	0.775	51%	0.514	S	S	*	.			trans	-51.9	124.8	173	-65.9	171.5	0	0	0	108	Y204	L202-Y204 PolarHBondContact O-N 3.43Å
203	P	53.2	Low	55.4	Low	93 Å²	93	105.9 Å²	105.9	60%	0.604	55%	0.551	S	S	*	*	B	Isolated β-bridge	trans	-50.4	132.7	167.5	-21.4	30.9	0	0	0	107.7	G201 E205	G201-P203 WeakPolarHBondContact O-CD 3.39Å; G201-P203 VanDerWaalsContact O-N 3.13Å; P203-E205 PolarHBondContact O-N 2.85Å
204	Y	49.2	Very low	53	Low	75 Å²	75	109.3 Å²	109.3	29%	0.294	57%	0.571	S	S	.	*			trans	-67	92.3	169.8	-177.3	-108	0	0	0	108	E25 L27 R78 L202 E206	E25-Y204 HydrophobicContact CG-CD1 4.05Å; E25-Y204 HydrophobicContact CG-CG 4.15Å; E25-Y204 PolarHBondContact O-N 3Å; E25-Y204 VanDerWaalsContact OE2-CD1 3.26Å; E25-Y204 WeakPolarHBondContact OE2-CD1 3.36Å; L27-Y204 HydrophobicContact CB-CD2 3.96Å; L27-Y204 HydrophobicContact CD2-CD2 4.05Å; L27-Y204 HydrophobicContact CD2-CE2 4.13Å; R78-Y204 PolarHBondContact NH1-OH 2.8Å; L202-Y204 PolarHBondContact O-N 3.43Å; Y204-E206 HydrophobicContact CD1-CG 4.24Å; Y204-E206 HydrophobicContact CE1-CG 3.59Å; Y204-E206 PolarHBondContact O-N 2.9Å
205	E	43.3	Very low	50.7	Low	166 Å²	166	114.3 Å²	114.3	78%	0.776	60%	0.598	S	S	*	*			trans	-76.6	111.7	165.8	-69.3	-98.9	149.4	0	0	106.5	P203 S207	P203-E205 PolarHBondContact O-N 2.85Å; E205-S207 VanDerWaalsContact C-N 3.34Å; E205-S207 PolarHBondContact O-N 3.36Å
206	E	39.7	Very low	48.7	Very low	137 Å²	137	123 Å²	123	64%	0.64	64%	0.639	S	S	*	*			trans	-59	101.6	163.6	-83.2	-169.8	156.4	0	0	107.7	Y204 N208	Y204-E206 HydrophobicContact CD1-CG 4.24Å; Y204-E206 HydrophobicContact CE1-CG 3.59Å; Y204-E206 PolarHBondContact O-N 2.9Å; E206-N208 VanDerWaalsContact C-N 3.25Å; E206-N208 PolarHBondContact O-N 3.1Å
207	S	34.3	Very low	46.4	Very low	108 Å²	108	129.3 Å²	129.3	76%	0.755	67%	0.667	S	S	*	*			trans	-62.5	97.3	161.4	179.6	0	0	0	0	107	E205 G209	E205-S207 VanDerWaalsContact C-N 3.34Å; E205-S207 PolarHBondContact O-N 3.36Å; S207-G209 PolarHBondContact O-N 3.19Å
208	N	37.1	Very low	44.2	Very low	134 Å²	134	131.6 Å²	131.6	72%	0.717	67%	0.672	S	S	*	*			trans	-71.5	30.6	172.2	-148.8	4.8	0	0	0	111.4	E206	E206-N208 VanDerWaalsContact C-N 3.25Å; E206-N208 PolarHBondContact O-N 3.1Å
209	G	38.4	Very low	42.4	Very low	54 Å²	54	132.4 Å²	132.4	56%	0.557	68%	0.682	S	S	*	*			trans	-119.3	26.5	-159.5	0	0	0	0	0	114.9	S207	S207-G209 PolarHBondContact O-N 3.19Å
210	D	33.6	Very low	40.9	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	70%	0.699	S	S	*	*			trans	-142.9	47.3	167.7	-123.2	-1.7	0	0	0	111.7	I212	D210-I212 VanDerWaalsContact C-N 3.29Å; D210-I212 PolarHBondContact O-N 2.93Å
211	R	35.3	Very low	39.8	Very low	210 Å²	210	128.2 Å²	128.2	79%	0.792	70%	0.695	S	S	*	*			trans	-77.8	91.3	153	-73.3	-176.2	179.1	176.5	0.5	106.7	K213	R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 2.86Å
212	I	38	Very low	38.9	Very low	136 Å²	136	136.7 Å²	136.7	70%	0.697	73%	0.733	S	S	*	*			trans	-55.8	102.4	158.6	-60.4	173.9	0	0	0	105.5	D210 L214	D210-I212 VanDerWaalsContact C-N 3.29Å; D210-I212 PolarHBondContact O-N 2.93Å; I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 3.37Å
213	K	35.5	Very low	38.1	Very low	179 Å²	179	135.1 Å²	135.1	78%	0.778	73%	0.734	S	S	*	*			trans	-65	102.6	164.6	-74.7	-178.2	178	179.6	0	105.3	R211 D215	R211-K213 VanDerWaalsContact C-N 3.28Å; R211-K213 PolarHBondContact O-N 2.86Å; K213-D215 PolarHBondContact O-N 2.92Å
214	L	36.6	Very low	37.3	Very low	158 Å²	158	140.4 Å²	140.4	83%	0.827	75%	0.748	S	S	*	*			trans	-67.7	90.4	159.9	-76	161.1	0	0	0	105.5	I212 Q216	I212-L214 VanDerWaalsContact C-N 3.33Å; I212-L214 PolarHBondContact O-N 3.37Å; L214-Q216 PolarHBondContact O-N 2.93Å; L214-Q216 VanDerWaalsContact O-N 3.15Å
215	D	37.7	Very low	36.8	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	77%	0.774	S	S	*	*			trans	-58.4	118.5	166.3	-79.2	-18.2	0	0	0	106.8	K213 E217	K213-D215 PolarHBondContact O-N 2.92Å; D215-E217 VanDerWaalsContact C-N 3.27Å; D215-E217 PolarHBondContact O-N 3.27Å
216	Q	40.1	Very low	36.5	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	77%	0.774	S	S	*	*			trans	-65	94	167.6	-74.1	178.6	-25.2	0	0	107.1	L214 T218	L214-Q216 PolarHBondContact O-N 2.93Å; L214-Q216 VanDerWaalsContact O-N 3.15Å; Q216-T218 PolarHBondContact O-N 3.49Å
217	E	36.9	Very low	36.1	Very low	176 Å²	176	138.2 Å²	138.2	82%	0.822	79%	0.787	S	S	*	*			trans	-67.9	88.5	155.2	-80.3	-174.1	164	0	0	107.4	D215 V219	D215-E217 VanDerWaalsContact C-N 3.27Å; D215-E217 PolarHBondContact O-N 3.27Å; E217-V219 VanDerWaalsContact C-N 3.29Å; E217-V219 PolarHBondContact O-N 3.36Å
218	T	35.8	Very low	36	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	82%	0.816	S	S	*	*			trans	-55.5	99.3	156.5	-7	0	0	0	0	107	Q216 A220	Q216-T218 PolarHBondContact O-N 3.49Å; T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 3.42Å
219	V	35.3	Very low	36	Very low	135 Å²	135	143.2 Å²	143.2	82%	0.818	82%	0.821	S	S	*	*			trans	-62.8	97.5	166.4	178.9	0	0	0	0	106.5	E217 A221	E217-V219 VanDerWaalsContact C-N 3.29Å; E217-V219 PolarHBondContact O-N 3.36Å; V219-A221 PolarHBondContact O-N 3.47Å
220	A	35.1	Very low	35.9	Very low	86 Å²	86	147.9 Å²	147.9	71%	0.711	84%	0.835	S	S	*	*			trans	-64.6	116.5	168.5	0	0	0	0	0	107.9	T218 E222	T218-A220 VanDerWaalsContact C-N 3.29Å; T218-A220 PolarHBondContact O-N 3.42Å; A220-E222 PolarHBondContact O-N 2.96Å
221	A	35.5	Very low	36	Very low	98 Å²	98	147.9 Å²	147.9	81%	0.81	84%	0.838	S	S	*	*			trans	-68.5	109	170.6	0	0	0	0	0	109.2	V219 S223	V219-A221 PolarHBondContact O-N 3.47Å; A221-S223 PolarHBondContact O-N 2.63Å
222	E	34.7	Very low	36	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	84%	0.841	S	S	*	*			trans	-72.7	109.1	168.3	-76.3	-174.8	156.6	0	0	110.1	A220 K224	A220-E222 PolarHBondContact O-N 2.96Å; E222-K224 PolarHBondContact O-N 2.9Å
223	S	35.2	Very low	35.9	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	85%	0.85	S	S	*	*			trans	-77.5	108.6	165.1	57	0	0	0	0	110	A221 S225	A221-S223 PolarHBondContact O-N 2.63Å; S223-S225 PolarHBondContact O-N 3.11Å
224	K	36.7	Very low	35.9	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	86%	0.855	S	S	*	*			trans	-73.7	119.4	168	-76.3	-176.1	177.4	179.6	0	110.4	E222	E222-K224 PolarHBondContact O-N 2.9Å
225	S	38.2	Very low	35.9	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	86%	0.857	S	S	*	*			trans	-124.1	133.6	156.6	63.9	0	0	0	0	107.6	S223	S223-S225 PolarHBondContact O-N 3.11Å
226	G	36.4	Very low	35.7	Very low	76 Å²	76	141.9 Å²	141.9	78%	0.784	87%	0.867	S	S	*	*			trans	-98.9	-145	-157.6	0	0	0	0	0	117.6
227	C	31.8	Very low	35.4	Very low	135 Å²	135	138.4 Å²	138.4	91%	0.912	87%	0.867	S	S	*	*			trans	88.6	132.8	-166	-68.3	0	0	0	0	113.6
228	C	32.9	Very low	35.2	Very low	203 Å²	203	135 Å²	135	100%	1.372	87%	0.872	S	S	*	*			cis	-123.9	0	25	-62	0	0	0	0	114.5

Retrieved 228 of 228 residues in 270.6 ms (Link to these results)

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