A0A096MZ81_PAPAN Loading...

PRELI domain containing 3A

AlphaFold DB , UniProt , Accession A0A096MZ81, Species PAPAN (Papio anubis, Olive baboon), Gene PRELID3A, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	26.4	Very low	252 Å²	252	140.6 Å²	140.6	100%	1.241	85%	0.85	S	S	*	*				0	93	0	-162.6	171.3	-156.8	0	0	108.1
2	A	23.7	Very low	26.4	Very low	94 Å²	94	147.6 Å²	147.6	78%	0.777	85%	0.849	S	S	*	*			trans	178.1	106.3	161.2	0	0	0	0	0	104.3
3	P	24.5	Very low	26.7	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	85%	0.852	S	S	*	*			trans	-84.8	142.9	-166.3	31.7	-31.6	0	0	0	112.4	L5	P3-L5 PolarHBondContact O-N 3.12Å
4	L	25.5	Very low	26.4	Very low	171 Å²	171	152.7 Å²	152.7	90%	0.895	85%	0.851	S	S	*	*			trans	-61.7	112.8	166.9	-65.7	161.4	0	0	0	108.9	S6	L4-S6 PolarHBondContact O-N 3.31Å; L4-S6 VanDerWaalsContact O-N 3.12Å
5	L	25.7	Very low	26.4	Very low	170 Å²	170	149.9 Å²	149.9	89%	0.89	84%	0.842	S	S	*	*			trans	-78.4	94.1	169.1	-84.2	161.4	0	0	0	109	P3 C7	P3-L5 PolarHBondContact O-N 3.12Å; L5-C7 PolarHBondContact O-N 3.46Å
6	S	23	Very low	26.4	Very low	100 Å²	100	149.3 Å²	149.3	70%	0.699	85%	0.849	S	S	*	*			trans	-61	117.5	158.9	49.7	0	0	0	0	109.9	L4 P8	L4-S6 PolarHBondContact O-N 3.31Å; L4-S6 VanDerWaalsContact O-N 3.12Å; S6-P8 WeakPolarHBondContact O-CD 3.41Å
7	C	25.6	Very low	26.5	Very low	129 Å²	129	149.6 Å²	149.6	87%	0.872	85%	0.846	S	S	*	*			trans	-71.5	123.2	165.4	-82.5	0	0	0	0	109.7	L5	L5-C7 PolarHBondContact O-N 3.46Å
8	P	28.3	Very low	26.4	Very low	116 Å²	116	154.2 Å²	154.2	75%	0.753	85%	0.848	S	S	*	*			trans	-102.5	95.3	176.6	34.8	-22.3	0	0	0	109.6	S6	S6-P8 WeakPolarHBondContact O-CD 3.41Å
9	L	29.6	Very low	26.4	Very low	174 Å²	174	155 Å²	155	91%	0.911	85%	0.845	S	S	*	*			trans	-139.7	72.5	163	-83.3	171.1	0	0	0	109.2
10	G	28.3	Very low	26.5	Very low	69 Å²	69	152.3 Å²	152.3	71%	0.711	83%	0.834	S	S	*	*			trans	-84.6	108.7	150.9	0	0	0	0	0	107.8
11	D	24.3	Very low	26.6	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	83%	0.828	S	S	*	*	S	Bend	trans	-174.4	110.7	137.8	-98.6	-29.1	0	0	0	111.7
12	R	27	Very low	26.8	Very low	224 Å²	224	143.7 Å²	143.7	85%	0.845	79%	0.792	S	S	*	*			trans	33	86	154.2	-60.3	-177.8	-164.7	-162.9	2.2	117.2	R14	R12-R14 PolarHBondContact O-N 3.17Å
13	V	30.4	Very low	27.1	Very low	146 Å²	146	146.1 Å²	146.1	89%	0.885	79%	0.785	S	S	*	*			trans	-65.3	100.8	149	-177.5	0	0	0	0	107
14	R	22.4	Very low	27.6	Very low	221 Å²	221	143.1 Å²	143.1	83%	0.834	78%	0.777	S	S	*	*			trans	-62.2	127.8	172.6	-68.9	-173.4	-169.9	-145.6	4	108	R12 C16	R12-R14 PolarHBondContact O-N 3.17Å; R14-C16 PolarHBondContact O-N 2.87Å; R14-C16 VanDerWaalsContact O-N 3.09Å
15	P	26.1	Very low	28.2	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	76%	0.762	S	S	*	*			trans	-72.1	107.5	168.7	28.2	-28.4	0	0	0	107.1	L17	P15-L17 PolarHBondContact O-N 2.94Å
16	C	25.8	Very low	28.9	Very low	140 Å²	140	136.1 Å²	136.1	95%	0.946	75%	0.745	S	S	*	*			trans	-71.6	87.1	170.5	-137	0	0	0	0	108.1	R14 R18	R14-C16 PolarHBondContact O-N 2.87Å; R14-C16 VanDerWaalsContact O-N 3.09Å; C16-R18 PolarHBondContact O-N 3Å
17	L	29.3	Very low	30.4	Very low	155 Å²	155	133 Å²	133	81%	0.812	73%	0.729	S	S	*	*			trans	-71.6	110.4	168.4	-106.1	147.4	0	0	0	108.6	P15	P15-L17 PolarHBondContact O-N 2.94Å
18	R	23.7	Very low	32	Very low	231 Å²	231	130.5 Å²	130.5	87%	0.872	72%	0.718	S	S	*	*			trans	-161.5	102.3	144.1	-110.8	170.6	-168.6	-150.3	3	114.1	C16	C16-R18 PolarHBondContact O-N 3Å
19	Q	25.8	Very low	33.9	Very low	170 Å²	170	129 Å²	129	79%	0.794	70%	0.7	S	S	*	*			trans	70.8	115.6	140.6	-68.3	-173.4	1	0	0	122.8
20	T	28.8	Very low	36.1	Very low	101 Å²	101	124 Å²	124	62%	0.62	68%	0.677	S	S	*	*			trans	21	128.3	132.6	23.8	0	0	0	0	120
21	K	29.7	Very low	38.2	Very low	165 Å²	165	121.1 Å²	121.1	72%	0.717	65%	0.646	S	S	*	*				-171.6	140.5	110.3	-106.6	171.5	-177	-179.5	0	114.8	L25	K21-L25 HydrophobicContact CD-CD1 3.89Å
22	A	34.6	Very low	40.9	Very low	58 Å²	58	118.3 Å²	118.3	48%	0.479	64%	0.638	S	S	.	*			trans	-69	149.1	154.9	0	0	0	0	0	109.7	A167	A22-A167 HydrophobicContact CB-CB 3.54Å
23	K	31	Very low	43.5	Very low	145 Å²	145	112.7 Å²	112.7	63%	0.63	62%	0.621	S	S	*	*	S	Bend	trans	73.2	99.9	172.7	-114	166.9	175.6	150	0	116.2	L25 E163	K23-L25 PolarHBondContact O-N 2.94Å; K23-E163 WeakPolarHBondContact CE-OE1 3.46Å; K23-E163 IonicContact NZ-OE1 2.7Å; K23-E163 PolarHBondContact NZ-OE1 3.33Å; K23-E163 IonicContact NZ-OE2 3.59Å
24	G	34.3	Very low	46.1	Very low	61 Å²	61	107.3 Å²	107.3	63%	0.629	59%	0.589	S	S	*	*	S	Bend	trans	63.5	37.2	144	0	0	0	0	0	118.6
25	L	38	Very low	49.2	Very low	111 Å²	111	97.4 Å²	97.4	58%	0.581	55%	0.552	S	S	*	*			trans	-124.3	131.6	174.7	-77.9	153.6	0	0	0	110.4	K21 K23 G27	K21-L25 HydrophobicContact CD-CD1 3.89Å; K23-L25 PolarHBondContact O-N 2.94Å; L25-G27 PolarHBondContact O-N 3.12Å
26	P	41	Very low	52	Low	83 Å²	83	95.7 Å²	95.7	54%	0.539	54%	0.537	S	S	.	.			trans	-66.7	123.3	173.1	26.6	-31.4	0	0	0	109.6	T146 Q147 E148	P26-T146 HydrophobicContact CB-CG2 4.29Å; P26-Q147 WeakPolarHBondContact CA-O 3.42Å; P26-E148 HydrophobicContact CB-CG 4.04Å
27	G	54.1	Low	54.7	Low	36 Å²	36	92.6 Å²	92.6	37%	0.371	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.1	168.7	0	0	0	0	0	109.5	L25 T146 Q147	L25-G27 PolarHBondContact O-N 3.12Å; G27-T146 CarbonylContact O-C 3.56Å; G27-T146 WeakPolarHBondContact O-CA 3.39Å; G27-Q147 PolarHBondContact N-O 2.8Å; G27-Q147 PolarHBondContact O-N 2.82Å
28	A	58.5	Low	57.3	Low	76 Å²	76	85.4 Å²	85.4	63%	0.628	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.6	172.8	0	0	0	0	0	109.5	V144 L145	A28-V144 HydrophobicContact CB-CG1 4.49Å; A28-L145 CarbonylContact C-O 3.53Å; A28-L145 VanDerWaalsContact CA-O 3.28Å; A28-L145 WeakPolarHBondContact CA-O 3.5Å
29	E	69.2	Low	60.1	Low	83 Å²	83	75.1 Å²	75.1	39%	0.388	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.5	174.4	-68.6	-175.5	158.5	0	0	109.5	L145 W178	E29-L145 PolarHBondContact N-O 2.97Å; E29-L145 PolarHBondContact O-N 3.3Å; E29-W178 HydrophobicContact CB-CE3 4.49Å; E29-W178 HydrophobicContact CB-CH2 4.39Å; E29-W178 HydrophobicContact CB-CZ3 4.06Å
30	V	74.8	Confident	62.9	Low	71 Å²	71	71.9 Å²	71.9	43%	0.43	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.5	-179.1	-175.4	0	0	0	0	109.4	M142 T143 V144	V30-M142 HydrophobicContact CG1-CB 4.15Å; V30-M142 HydrophobicContact CG1-SD 4.3Å; V30-T143 CarbonylContact C-O 2.96Å; V30-T143 WeakPolarHBondContact CA-O 3.34Å; V30-V144 HydrophobicContact CG2-CG2 4.45Å
31	C	74.4	Confident	65.3	Low	7 Å²	7	68.7 Å²	68.7	5%	0.047	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.1	168.5	-59.8	0	0	0	0	109.5	H33 V38 M142 T143 W178	C31-H33 PolarHBondContact O-N 2.95Å; C31-V38 HydrophobicContact CB-CG2 3.93Å; C31-M142 VanDerWaalsContact O-CA 3.31Å; C31-M142 WeakPolarHBondContact O-CA 2.79Å; C31-T143 PolarHBondContact N-O 3.46Å; C31-T143 PolarHBondContact O-N 3.37Å; C31-W178 HydrophobicContact CB-CH2 4.37Å; C31-W178 WeakPolarHBondContact SG-CH2 3.15Å; C31-W178 WeakPolarHBondContact SG-CZ3 3.44Å
32	S	80.1	Confident	67.7	Low	89 Å²	89	61 Å²	61	62%	0.622	37%	0.374	S	S	*	.	S	Bend	trans	-79.4	39.1	172.5	-52.6	0	0	0	0	112.7
33	H	81.4	Confident	69.7	Low	106 Å²	106	60 Å²	60	49%	0.491	36%	0.36	S	S	.	.	S	Bend	trans	-135.9	147.7	179.5	-66.4	-55.5	0	0	0	111.1	C31 V38 E141 T143	C31-H33 PolarHBondContact O-N 2.95Å; H33-V38 HydrophobicContact CB-CG2 3.84Å; H33-E141 CarbonylContact C-O 3.57Å; H33-E141 WeakPolarHBondContact CA-O 3.4Å; H33-E141 PolarHBondContact N-O 2.93Å; H33-T143 PolarHBondContact O-N 2.79Å; H33-T143 PolarHBondContact O-OG1 3.25Å
34	P	85.6	Confident	71.7	Confident	34 Å²	34	62.1 Å²	62.1	22%	0.221	36%	0.364	C	S	.	.			trans	-58.6	147.9	176.2	-25	33.9	0	0	0	112	D36 T37 V38 E141	P34-D36 VanDerWaalsContact C-N 3.26Å; P34-D36 PolarHBondContact O-N 2.87Å; P34-T37 WeakPolarHBondContact O-CB 3.34Å; P34-T37 PolarHBondContact O-N 3.35Å; P34-V38 PolarHBondContact O-N 3.34Å; P34-V38 VanDerWaalsContact O-N 3.13Å; P34-E141 WeakPolarHBondContact CG-OE2 3.36Å; P34-E141 VanDerWaalsContact N-O 3.17Å
35	W	87	Confident	73.4	Confident	12 Å²	12	61 Å²	61	5%	0.045	34%	0.342	C	S	.	.	H	α-helix	trans	-52.1	-44	-177.5	178.1	87.2	0	0	0	112.8	T37 V38 I39 V105 K110 M112 Y133 T143	W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 2.96Å; W35-V38 PolarHBondContact O-N 3.27Å; W35-V38 VanDerWaalsContact O-N 3.15Å; W35-I39 HydrophobicContact CD2-CD1 4.38Å; W35-I39 HydrophobicContact CD2-CG1 3.71Å; W35-I39 HydrophobicContact CE3-CG1 4.21Å; W35-I39 HydrophobicContact CG-CD1 4.46Å; W35-I39 HydrophobicContact CG-CG1 4.19Å; W35-I39 HydrophobicContact CH2-CG1 4.08Å; W35-I39 HydrophobicContact CZ2-CD1 4.26Å; W35-I39 HydrophobicContact CZ2-CG1 3.55Å; W35-I39 HydrophobicContact CZ3-CG1 4.38Å; W35-I39 VanDerWaalsContact O-CG1 3.31Å; W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.28Å; W35-V105 HydrophobicContact CH2-CG1 3.76Å; W35-V105 HydrophobicContact CZ2-CG1 4Å; W35-K110 HydrophobicContact CD2-CB 4.04Å; W35-K110 HydrophobicContact CE3-CB 4.12Å; W35-K110 HydrophobicContact CE3-CG 4.25Å; W35-K110 HydrophobicContact CG-CB 4.48Å; W35-K110 VanDerWaalsContact CZ2-C 3.41Å; W35-K110 HydrophobicContact CZ3-CB 4.42Å; W35-K110 HydrophobicContact CZ3-CG 4.41Å; W35-K110 PolarHBondContact NE1-O 2.79Å; W35-M112 HydrophobicContact CZ2-CB 4.37Å; W35-Y133 PolarHBondContact NE1-O 2.96Å; W35-T143 WeakPolarHBondContact CA-OG1 3.47Å; W35-T143 PolarHBondContact N-OG1 2.92Å; W35-T143 VanDerWaalsContact N-OG1 3.15Å
36	D	84.3	Confident	74.5	Confident	76 Å²	76	58.3 Å²	58.3	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-36.7	-179.6	-61.3	-76.1	0	0	0	112.9	P34 Q40	P34-D36 VanDerWaalsContact C-N 3.26Å; P34-D36 PolarHBondContact O-N 2.87Å; D36-Q40 VanDerWaalsContact O-CG 3.25Å; D36-Q40 WeakPolarHBondContact O-CG 3.46Å; D36-Q40 PolarHBondContact O-N 2.88Å; D36-Q40 PolarHBondContact O-NE2 2.8Å
37	T	83.9	Confident	75.1	Confident	75 Å²	75	60.8 Å²	60.8	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-71.4	-44.8	176.8	-57.7	0	0	0	0	110.5	P34 W35 Q40 A41	P34-T37 WeakPolarHBondContact O-CB 3.34Å; P34-T37 PolarHBondContact O-N 3.35Å; W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 2.96Å; T37-Q40 PolarHBondContact O-N 3.36Å; T37-A41 WeakPolarHBondContact O-CB 3.33Å; T37-A41 PolarHBondContact O-N 2.75Å
38	V	82.6	Confident	75.2	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-42.1	-179.3	176.8	0	0	0	0	111.2	C31 H33 P34 W35 A41 A42 Y133 T143 I181	C31-V38 HydrophobicContact CB-CG2 3.93Å; H33-V38 HydrophobicContact CB-CG2 3.84Å; P34-V38 PolarHBondContact O-N 3.34Å; P34-V38 VanDerWaalsContact O-N 3.13Å; W35-V38 PolarHBondContact O-N 3.27Å; W35-V38 VanDerWaalsContact O-N 3.15Å; V38-A41 PolarHBondContact O-N 2.87Å; V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.36Å; V38-A42 PolarHBondContact O-N 3.49Å; V38-Y133 HydrophobicContact CG1-CD1 3.68Å; V38-Y133 HydrophobicContact CG1-CE1 3.91Å; V38-T143 HydrophobicContact CB-CG2 4.36Å; V38-T143 HydrophobicContact CG1-CG2 4.22Å; V38-T143 HydrophobicContact CG2-CG2 4.47Å; V38-I181 HydrophobicContact CG1-CG2 4.07Å
39	I	83.8	Confident	74.9	Confident	15 Å²	15	62.4 Å²	62.4	8%	0.077	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-43	177.7	-64.2	-24.2	0	0	0	110.9	W35 A41 A42 M43 V105 M112 Y133	W35-I39 HydrophobicContact CD2-CD1 4.38Å; W35-I39 HydrophobicContact CD2-CG1 3.71Å; W35-I39 HydrophobicContact CE3-CG1 4.21Å; W35-I39 HydrophobicContact CG-CD1 4.46Å; W35-I39 HydrophobicContact CG-CG1 4.19Å; W35-I39 HydrophobicContact CH2-CG1 4.08Å; W35-I39 HydrophobicContact CZ2-CD1 4.26Å; W35-I39 HydrophobicContact CZ2-CG1 3.55Å; W35-I39 HydrophobicContact CZ3-CG1 4.38Å; W35-I39 VanDerWaalsContact O-CG1 3.31Å; W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.28Å; I39-A41 PolarHBondContact O-N 3.01Å; I39-A42 PolarHBondContact O-N 3.2Å; I39-M43 HydrophobicContact CG2-CG 4.43Å; I39-M43 WeakPolarHBondContact O-CB 3.25Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.47Å; I39-M43 PolarHBondContact O-N 2.84Å; I39-V105 HydrophobicContact CG2-CG1 4.28Å; I39-V105 HydrophobicContact CG2-CG2 4.33Å; I39-M112 HydrophobicContact CB-SD 4.32Å; I39-M112 HydrophobicContact CD1-CB 3.54Å; I39-M112 HydrophobicContact CD1-CG 4.18Å; I39-M112 HydrophobicContact CD1-SD 3.64Å; I39-M112 HydrophobicContact CG1-CB 4.09Å; I39-M112 HydrophobicContact CG1-SD 4.17Å; I39-M112 HydrophobicContact CG2-SD 3.78Å; I39-Y133 HydrophobicContact CD1-CD1 4.37Å; I39-Y133 HydrophobicContact CD1-CD2 4.42Å; I39-Y133 HydrophobicContact CD1-CG 3.91Å
40	Q	83.1	Confident	74.1	Confident	103 Å²	103	63.2 Å²	63.2	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-42.9	177.1	-75.5	179.3	66.3	0	0	111.9	D36 T37 M43 R44	D36-Q40 VanDerWaalsContact O-CG 3.25Å; D36-Q40 WeakPolarHBondContact O-CG 3.46Å; D36-Q40 PolarHBondContact O-N 2.88Å; D36-Q40 PolarHBondContact O-NE2 2.8Å; T37-Q40 PolarHBondContact O-N 3.36Å; Q40-M43 PolarHBondContact O-N 3.18Å; Q40-R44 WeakPolarHBondContact O-CB 3.42Å; Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 2.82Å; Q40-R44 VanDerWaalsContact O-N 3.13Å
41	A	80.5	Confident	73.4	Confident	33 Å²	33	60.3 Å²	60.3	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-47.1	174.8	0	0	0	0	0	111.5	T37 V38 I39 M43 R44 K45 I181	T37-A41 WeakPolarHBondContact O-CB 3.33Å; T37-A41 PolarHBondContact O-N 2.75Å; V38-A41 PolarHBondContact O-N 2.87Å; I39-A41 PolarHBondContact O-N 3.01Å; A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 2.78Å; A41-R44 CarbonylContact O-C 3.54Å; A41-R44 PolarHBondContact O-N 2.88Å; A41-R44 VanDerWaalsContact O-N 3.08Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-I181 HydrophobicContact CB-CG2 4.22Å
42	A	79.3	Confident	72.6	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-60.2	-38.8	178.7	0	0	0	0	0	112.7	V38 I39 K45 M112 I181	V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.36Å; V38-A42 PolarHBondContact O-N 3.49Å; I39-A42 PolarHBondContact O-N 3.2Å; A42-K45 WeakPolarHBondContact O-CB 3.42Å; A42-M112 HydrophobicContact CB-CE 4.35Å; A42-I181 HydrophobicContact CB-CD1 4.24Å
43	M	76.5	Confident	71.9	Confident	38 Å²	38	61.5 Å²	61.5	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-70.9	-30.4	176.4	-70.1	-61.2	179.9	0	0	113	I39 Q40 A41 R74 V105 M112	I39-M43 HydrophobicContact CG2-CG 4.43Å; I39-M43 WeakPolarHBondContact O-CB 3.25Å; I39-M43 VanDerWaalsContact O-CG 3.31Å; I39-M43 WeakPolarHBondContact O-CG 3.47Å; I39-M43 PolarHBondContact O-N 2.84Å; Q40-M43 PolarHBondContact O-N 3.18Å; A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 2.78Å; M43-R74 PolarHBondContact O-NH1 2.83Å; M43-V105 HydrophobicContact CE-CG2 3.37Å; M43-M112 HydrophobicContact CE-CE 3.36Å; M43-M112 HydrophobicContact CE-SD 3.63Å; M43-M112 HydrophobicContact SD-CE 4.09Å
44	R	73.8	Confident	71.4	Confident	189 Å²	189	57.6 Å²	57.6	71%	0.713	31%	0.313	S	S	*	.	H	α-helix	trans	-99.2	8.8	-178.9	-65.5	178.8	-176.7	170.2	4.7	114.2	Q40 A41 Y46	Q40-R44 WeakPolarHBondContact O-CB 3.42Å; Q40-R44 WeakPolarHBondContact O-CG 3.46Å; Q40-R44 PolarHBondContact O-N 2.82Å; Q40-R44 VanDerWaalsContact O-N 3.13Å; A41-R44 CarbonylContact O-C 3.54Å; A41-R44 PolarHBondContact O-N 2.88Å; A41-R44 VanDerWaalsContact O-N 3.08Å; R44-Y46 PolarHBondContact O-N 2.87Å
45	K	69.1	Low	70.8	Confident	38 Å²	38	61 Å²	61	17%	0.165	33%	0.329	C	S	.	.			trans	-55.4	-13.5	-176.2	-176.8	173.1	173.1	171.3	0	115.2	A41 A42 N48 G177 A180 I181	A41-K45 PolarHBondContact O-N 2.88Å; A42-K45 WeakPolarHBondContact O-CB 3.42Å; K45-N48 WeakPolarHBondContact O-CB 3.41Å; K45-G177 WeakPolarHBondContact CE-O 3.49Å; K45-G177 PolarHBondContact NZ-O 2.79Å; K45-A180 HydrophobicContact CD-CB 4.32Å; K45-A180 HydrophobicContact CG-CB 3.87Å; K45-I181 HydrophobicContact CD-CD1 4Å; K45-I181 HydrophobicContact CD-CG1 3.91Å; K45-I181 HydrophobicContact CG-CG1 4.49Å
46	Y	62	Low	70.4	Confident	53 Å²	53	61.6 Å²	61.6	21%	0.208	34%	0.339	C	S	.	.			trans	-128	142.2	178.6	-63.1	-69.9	0	0	0	111.8	R44 N48 N51 V54 V57 L76	R44-Y46 PolarHBondContact O-N 2.87Å; Y46-N48 HydrophobicContact CD1-CB 4.42Å; Y46-N51 HydrophobicContact CE1-CB 4.25Å; Y46-N51 PolarHBondContact OH-ND2 2.68Å; Y46-V54 HydrophobicContact CD1-CB 4.13Å; Y46-V54 HydrophobicContact CD1-CG1 4.1Å; Y46-V54 HydrophobicContact CD1-CG2 4.28Å; Y46-V54 HydrophobicContact CE1-CB 3.92Å; Y46-V54 HydrophobicContact CE1-CG1 4.17Å; Y46-V54 HydrophobicContact CE1-CG2 3.57Å; Y46-V54 HydrophobicContact CG-CG1 4.49Å; Y46-V57 HydrophobicContact CD2-CG2 3.88Å; Y46-V57 HydrophobicContact CG-CG2 3.89Å; Y46-L76 HydrophobicContact CE2-CD2 4.03Å
47	P	53	Low	70.3	Confident	136 Å²	136	60.1 Å²	60.1	88%	0.883	33%	0.333	S	S	*	.	S	Bend	cis	-75.7	142	1.9	30.5	-34.1	0	0	0	112.8
48	N	57	Low	70.5	Confident	24 Å²	24	60.9 Å²	60.9	13%	0.128	33%	0.334	C	S	.	.			trans	-131.6	125.1	-179.3	166	22.8	0	0	0	111.7	K45 Y46 M50 N51 A180	K45-N48 WeakPolarHBondContact O-CB 3.41Å; Y46-N48 HydrophobicContact CD1-CB 4.42Å; N48-M50 PolarHBondContact O-N 2.8Å; N48-M50 VanDerWaalsContact O-N 3.15Å; N48-M50 WeakPolarHBondContact OD1-CB 3.37Å; N48-M50 PolarHBondContact OD1-N 3.02Å; N48-N51 CarbonylContact O-C 3.56Å; N48-N51 PolarHBondContact O-N 3.38Å; N48-N51 VanDerWaalsContact O-N 3.08Å; N48-A180 WeakPolarHBondContact ND2-CB 3.45Å
49	P	50.8	Low	70.7	Confident	121 Å²	121	64.2 Å²	64.2	79%	0.786	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.4	179.9	24.2	-34	0	0	0	114.3	N51	P49-N51 VanDerWaalsContact C-N 3.32Å
50	M	53.7	Low	71	Confident	100 Å²	100	68.1 Å²	68.1	49%	0.493	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.1	177.7	-60.1	-61.9	-70.9	0	0	113.5	N48 K176 A179	N48-M50 PolarHBondContact O-N 2.8Å; N48-M50 VanDerWaalsContact O-N 3.15Å; N48-M50 WeakPolarHBondContact OD1-CB 3.37Å; N48-M50 PolarHBondContact OD1-N 3.02Å; M50-K176 WeakPolarHBondContact O-CD 3.49Å; M50-A179 HydrophobicContact CE-CB 4.42Å
51	N	59.3	Low	71.4	Confident	11 Å²	11	68.2 Å²	68.2	6%	0.059	38%	0.375	C	S	.	.			trans	-127.7	70.7	176.2	-165	5.6	0	0	0	111.1	Y46 N48 P49 S53 V54	Y46-N51 HydrophobicContact CE1-CB 4.25Å; Y46-N51 PolarHBondContact OH-ND2 2.68Å; N48-N51 CarbonylContact O-C 3.56Å; N48-N51 PolarHBondContact O-N 3.38Å; N48-N51 VanDerWaalsContact O-N 3.08Å; P49-N51 VanDerWaalsContact C-N 3.32Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.13Å; N51-V54 WeakPolarHBondContact ND2-CG2 3.32Å; N51-V54 PolarHBondContact O-N 3.08Å
52	P	58.7	Low	72	Confident	95 Å²	95	73.1 Å²	73.1	62%	0.617	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.3	-178.9	30.6	-36.7	0	0	0	112.8	V54	P52-V54 PolarHBondContact O-N 3.39Å
53	S	64.6	Low	72.7	Confident	26 Å²	26	78.7 Å²	78.7	18%	0.182	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.6	176.6	-62.6	0	0	0	0	113.1	N51 L55 T78 E79	N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 VanDerWaalsContact O-N 3.13Å; S53-L55 PolarHBondContact O-N 2.98Å; S53-T78 CarbonylContact O-C 3.5Å; S53-T78 WeakPolarHBondContact O-CA 3.18Å; S53-T78 WeakPolarHBondContact O-CB 3.43Å; S53-E79 WeakPolarHBondContact CB-O 3.39Å; S53-E79 PolarHBondContact O-N 2.87Å
54	V	70.2	Confident	73.5	Confident	24 Å²	24	81.6 Å²	81.6	15%	0.145	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.7	175.5	-176.1	0	0	0	0	108.6	Y46 N51 P52 V57 T78	Y46-V54 HydrophobicContact CD1-CB 4.13Å; Y46-V54 HydrophobicContact CD1-CG1 4.1Å; Y46-V54 HydrophobicContact CD1-CG2 4.28Å; Y46-V54 HydrophobicContact CE1-CB 3.92Å; Y46-V54 HydrophobicContact CE1-CG1 4.17Å; Y46-V54 HydrophobicContact CE1-CG2 3.57Å; Y46-V54 HydrophobicContact CG-CG1 4.49Å; N51-V54 WeakPolarHBondContact ND2-CG2 3.32Å; N51-V54 PolarHBondContact O-N 3.08Å; P52-V54 PolarHBondContact O-N 3.39Å; V54-V57 HydrophobicContact CG1-CG2 3.77Å; V54-T78 HydrophobicContact CB-CG2 4.39Å; V54-T78 HydrophobicContact CG1-CG2 4.44Å; V54-T78 HydrophobicContact CG2-CG2 3.85Å
55	L	74.7	Confident	74.3	Confident	104 Å²	104	73.7 Å²	73.7	55%	0.545	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-32	-178.8	-62	-177.8	0	0	0	112.2	S53 S77 E79 L96	S53-L55 PolarHBondContact O-N 2.98Å; L55-S77 PolarHBondContact N-O 2.79Å; L55-E79 HydrophobicContact CD1-CB 3.78Å; L55-E79 HydrophobicContact CD2-CB 4.38Å; L55-E79 HydrophobicContact CG-CB 4.03Å; L55-L96 HydrophobicContact CD1-CD1 3.64Å
56	G	77.2	Confident	75.3	Confident	26 Å²	26	76.4 Å²	76.4	27%	0.268	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	153.6	-177.7	0	0	0	0	0	112.7	S77	G56-S77 PolarHBondContact N-O 2.62Å; G56-S77 PolarHBondContact O-N 2.82Å
57	V	83.2	Confident	76.6	Confident	45 Å²	45	83.5 Å²	83.5	27%	0.273	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118	174.9	-176.6	0	0	0	0	108.1	Y46 V54 R74 L75 L76	Y46-V57 HydrophobicContact CD2-CG2 3.88Å; Y46-V57 HydrophobicContact CG-CG2 3.89Å; V54-V57 HydrophobicContact CG1-CG2 3.77Å; V57-R74 HydrophobicContact CG1-CB 4.37Å; V57-L75 WeakPolarHBondContact CA-O 3.06Å; V57-L76 HydrophobicContact CG1-CD1 4.46Å; V57-L76 HydrophobicContact CG1-CG 4.23Å; V57-L76 HydrophobicContact CG2-CD2 4.41Å; V57-L76 HydrophobicContact CG2-CG 4.07Å
58	D	86.6	Confident	78.3	Confident	91 Å²	91	78.9 Å²	78.9	49%	0.487	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.2	178.3	-67	-66.7	0	0	0	110	L60 R74 L75	D58-L60 PolarHBondContact O-N 2.94Å; D58-R74 CarbonylContact O-C 3.55Å; D58-R74 WeakPolarHBondContact O-CA 3.11Å; D58-L75 PolarHBondContact N-O 3.08Å; D58-L75 PolarHBondContact O-N 3.13Å
59	V	87.6	Confident	80	Confident	73 Å²	73	81.3 Å²	81.3	44%	0.442	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.7	172.7	-177.1	0	0	0	0	107.8	R62 R74	V59-R62 HydrophobicContact CG1-CB 4.26Å; V59-R74 HydrophobicContact CG2-CG 4.19Å
60	L	89.9	Confident	82	Confident	96 Å²	96	78.3 Å²	78.3	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-39.6	179.2	-60.4	-175	0	0	0	111.6	D58 L73 L75	D58-L60 PolarHBondContact O-N 2.94Å; L60-L73 HydrophobicContact CB-CD2 4.22Å; L60-L73 HydrophobicContact CB-CG 4.31Å; L60-L73 HydrophobicContact CD1-CD2 4.23Å; L60-L73 HydrophobicContact CD1-CG 4.39Å; L60-L73 PolarHBondContact N-O 3.33Å; L60-L75 HydrophobicContact CD1-CB 3.94Å; L60-L75 HydrophobicContact CD2-CB 4.06Å; L60-L75 HydrophobicContact CD2-CD2 4.46Å; L60-L75 HydrophobicContact CG-CB 3.92Å
61	Q	91.4	Very high	83.9	Confident	105 Å²	105	74.4 Å²	74.4	49%	0.491	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.1	-178.3	-165.7	178.4	21	0	0	110.3	S72 L73	Q61-S72 CarbonylContact O-C 3.58Å; Q61-S72 WeakPolarHBondContact O-CA 3.42Å; Q61-L73 HydrophobicContact CB-CB 4.02Å; Q61-L73 PolarHBondContact N-O 3.19Å; Q61-L73 PolarHBondContact O-N 2.97Å
62	R	93.1	Very high	85.5	Confident	136 Å²	136	73.9 Å²	73.9	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	126.7	168.1	-176.5	169.6	-76.3	148.5	-3.4	108.9	V59 L70 H71 S72	V59-R62 HydrophobicContact CG1-CB 4.26Å; R62-L70 HydrophobicContact CG-CD1 3.66Å; R62-H71 CarbonylContact C-O 3.54Å; R62-H71 WeakPolarHBondContact CA-O 3.3Å; R62-S72 PolarHBondContact NE-OG 3.49Å
63	R	93.6	Very high	87	Confident	122 Å²	122	71 Å²	71	46%	0.46	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149	-178.7	65.5	-176.6	-178	94.4	4.7	110.7	H71	R63-H71 HydrophobicContact CG-CB 3.86Å; R63-H71 PolarHBondContact N-O 3.35Å; R63-H71 PolarHBondContact O-N 3.49Å
64	V	94.2	Very high	88.3	Confident	98 Å²	98	70.3 Å²	70.3	59%	0.594	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.2	168	-177.8	0	0	0	0	107.3	R69 L70	V64-R69 WeakPolarHBondContact CA-O 3.2Å; V64-L70 HydrophobicContact CG2-CD1 3.93Å
65	D	91.2	Very high	89.2	Confident	24 Å²	24	70.9 Å²	70.9	13%	0.128	38%	0.377	C	S	.	.			trans	-81.5	170.9	176.2	72.3	14.4	0	0	0	112.1	R67 G68 R69 H71	D65-R67 PolarHBondContact O-N 3.27Å; D65-R67 WeakPolarHBondContact OD1-CA 3.33Å; D65-R67 WeakPolarHBondContact OD1-CB 3.31Å; D65-R67 PolarHBondContact OD1-N 3.15Å; D65-G68 PolarHBondContact O-N 2.89Å; D65-G68 PolarHBondContact OD1-N 3.13Å; D65-G68 VanDerWaalsContact OD1-N 3.12Å; D65-R69 PolarHBondContact N-O 3.05Å; D65-R69 WeakPolarHBondContact OD1-CB 3.49Å; D65-R69 PolarHBondContact OD1-N 2.9Å; D65-R69 IonicContact OD1-NE 3.04Å; D65-R69 IonicContact OD2-CZ 3.71Å; D65-R69 IonicContact OD2-NE 2.62Å; D65-R69 PolarHBondContact OD2-NE 2.83Å; D65-R69 IonicContact OD2-NH2 3.02Å; D65-R69 PolarHBondContact OD2-NH2 2.88Å; D65-H71 IonicContact OD2-CD2 3.77Å; D65-H71 IonicContact OD2-CE1 3.94Å; D65-H71 IonicContact OD2-NE2 2.88Å; D65-H71 PolarHBondContact OD2-NE2 3.38Å
66	G	89.1	Confident	89.8	Confident	95 Å²	95	66.3 Å²	66.3	98%	0.979	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-6.9	179.1	0	0	0	0	0	114.7
67	R	88.9	Confident	90.1	Very high	202 Å²	202	66 Å²	66	76%	0.762	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	2.1	174.3	-61.9	-176.1	179.3	-136.2	-0.4	112.4	D65 R69	D65-R67 PolarHBondContact O-N 3.27Å; D65-R67 WeakPolarHBondContact OD1-CA 3.33Å; D65-R67 WeakPolarHBondContact OD1-CB 3.31Å; D65-R67 PolarHBondContact OD1-N 3.15Å; R67-R69 HydrophobicContact CB-CG 4.45Å
68	G	89.6	Confident	89.8	Confident	38 Å²	38	64 Å²	64	39%	0.392	34%	0.335	S	S	.	.	S	Bend	trans	83	11.1	-179.3	0	0	0	0	0	114.6	D65	D65-G68 PolarHBondContact O-N 2.89Å; D65-G68 PolarHBondContact OD1-N 3.13Å; D65-G68 VanDerWaalsContact OD1-N 3.12Å
69	R	92.7	Very high	89.2	Confident	75 Å²	75	63.9 Å²	63.9	28%	0.283	33%	0.331	S	S	.	.			trans	-86.4	136.6	178.9	-54.7	177.3	-63.8	-176.3	1.3	110.5	V64 D65 R67 H71 V104 V105 D106	V64-R69 WeakPolarHBondContact CA-O 3.2Å; D65-R69 PolarHBondContact N-O 3.05Å; D65-R69 WeakPolarHBondContact OD1-CB 3.49Å; D65-R69 PolarHBondContact OD1-N 2.9Å; D65-R69 IonicContact OD1-NE 3.04Å; D65-R69 IonicContact OD2-CZ 3.71Å; D65-R69 IonicContact OD2-NE 2.62Å; D65-R69 PolarHBondContact OD2-NE 2.83Å; D65-R69 IonicContact OD2-NH2 3.02Å; D65-R69 PolarHBondContact OD2-NH2 2.88Å; R67-R69 HydrophobicContact CB-CG 4.45Å; R69-H71 PolarHBondContact O-CD2 3.39Å; R69-V104 HydrophobicContact CB-CG1 4.3Å; R69-V105 CarbonylContact C-O 3.56Å; R69-V105 VanDerWaalsContact CA-O 3.3Å; R69-V105 WeakPolarHBondContact CA-O 3.49Å; R69-D106 WeakPolarHBondContact CD-OD2 3.28Å; R69-D106 HydrophobicContact CG-CB 4.04Å; R69-D106 WeakPolarHBondContact CG-OD2 3.37Å
70	L	92.2	Very high	88.2	Confident	58 Å²	58	62.6 Å²	62.6	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.8	179.3	-178.6	68.2	0	0	0	110.1	R62 V64 V104 V105	R62-L70 HydrophobicContact CG-CD1 3.66Å; V64-L70 HydrophobicContact CG2-CD1 3.93Å; L70-V104 CarbonylContact O-C 3.59Å; L70-V104 WeakPolarHBondContact O-CA 3.37Å; L70-V105 HydrophobicContact CB-CB 4.27Å; L70-V105 PolarHBondContact N-O 3.15Å; L70-V105 PolarHBondContact O-N 2.84Å
71	H	93.5	Very high	86.7	Confident	19 Å²	19	61.5 Å²	61.5	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.5	171.2	-62.1	-106	0	0	0	108.8	R62 R63 D65 R69 H102 S103	R62-H71 CarbonylContact C-O 3.54Å; R62-H71 WeakPolarHBondContact CA-O 3.3Å; R63-H71 HydrophobicContact CG-CB 3.86Å; R63-H71 PolarHBondContact N-O 3.35Å; R63-H71 PolarHBondContact O-N 3.49Å; D65-H71 IonicContact OD2-CD2 3.77Å; D65-H71 IonicContact OD2-CE1 3.94Å; D65-H71 IonicContact OD2-NE2 2.88Å; D65-H71 PolarHBondContact OD2-NE2 3.38Å; R69-H71 PolarHBondContact O-CD2 3.39Å; H71-H102 AromaticContact ND1-CE1 3.97Å; H71-H102 AromaticContact ND1-NE2 3.91Å; H71-S103 CarbonylContact C-O 3.55Å; H71-S103 WeakPolarHBondContact CA-O 3.31Å
72	S	92.4	Very high	85.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	173.1	-59.8	0	0	0	0	110.1	Q61 R62 H102 S103	Q61-S72 CarbonylContact O-C 3.58Å; Q61-S72 WeakPolarHBondContact O-CA 3.42Å; R62-S72 PolarHBondContact NE-OG 3.49Å; S72-H102 CarbonylContact O-C 3.54Å; S72-H102 WeakPolarHBondContact O-CA 3.47Å; S72-S103 WeakPolarHBondContact CB-OG 3.38Å; S72-S103 PolarHBondContact N-O 3.36Å; S72-S103 PolarHBondContact O-N 2.97Å
73	L	91.8	Very high	83.7	Confident	33 Å²	33	54.5 Å²	54.5	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.6	171.3	-172.9	67.9	0	0	0	108.3	L60 Q61 Q100 E101 H102	L60-L73 HydrophobicContact CB-CD2 4.22Å; L60-L73 HydrophobicContact CB-CG 4.31Å; L60-L73 HydrophobicContact CD1-CD2 4.23Å; L60-L73 HydrophobicContact CD1-CG 4.39Å; L60-L73 PolarHBondContact N-O 3.33Å; Q61-L73 HydrophobicContact CB-CB 4.02Å; Q61-L73 PolarHBondContact N-O 3.19Å; Q61-L73 PolarHBondContact O-N 2.97Å; L73-Q100 HydrophobicContact CD1-CG 3.69Å; L73-E101 CarbonylContact C-O 3.55Å; L73-E101 WeakPolarHBondContact CA-O 3.01Å; L73-H102 HydrophobicContact CD1-CB 4.1Å
74	R	91.4	Very high	82	Confident	13 Å²	13	51.3 Å²	51.3	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.9	178.7	-57.7	-164.8	-73.6	-169.7	-1.9	110.5	M43 V57 D58 V59 L76 E101	M43-R74 PolarHBondContact O-NH1 2.83Å; V57-R74 HydrophobicContact CG1-CB 4.37Å; D58-R74 CarbonylContact O-C 3.55Å; D58-R74 WeakPolarHBondContact O-CA 3.11Å; V59-R74 HydrophobicContact CG2-CG 4.19Å; R74-L76 HydrophobicContact CB-CD1 4.07Å; R74-E101 HydrophobicContact CB-CB 4.39Å; R74-E101 IonicContact CZ-OE1 2.89Å; R74-E101 PolarHBondContact N-O 3.04Å; R74-E101 IonicContact NE-OE1 3.2Å; R74-E101 PolarHBondContact NE-OE1 2.76Å; R74-E101 IonicContact NH2-OE1 3.23Å; R74-E101 PolarHBondContact NH2-OE1 3.09Å; R74-E101 IonicContact NH2-OE2 2.8Å; R74-E101 PolarHBondContact O-N 3.34Å
75	L	89.1	Confident	80.3	Confident	35 Å²	35	51 Å²	51	18%	0.183	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.6	170.4	-176.5	67.2	0	0	0	107.8	V57 D58 L60 Y98 I119	V57-L75 WeakPolarHBondContact CA-O 3.06Å; D58-L75 PolarHBondContact N-O 3.08Å; D58-L75 PolarHBondContact O-N 3.13Å; L60-L75 HydrophobicContact CD1-CB 3.94Å; L60-L75 HydrophobicContact CD2-CB 4.06Å; L60-L75 HydrophobicContact CD2-CD2 4.46Å; L60-L75 HydrophobicContact CG-CB 3.92Å; L75-Y98 HydrophobicContact CD1-CD1 4.42Å; L75-Y98 HydrophobicContact CD2-CD1 4.42Å; L75-Y98 HydrophobicContact CG-CD1 4.44Å; L75-I119 HydrophobicContact CD1-CD1 3.53Å
76	L	86.6	Confident	78.9	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.2	176.6	-67.3	76.5	0	0	0	108.2	Y46 V57 R74 T78 Y98 I99 E101	Y46-L76 HydrophobicContact CE2-CD2 4.03Å; V57-L76 HydrophobicContact CG1-CD1 4.46Å; V57-L76 HydrophobicContact CG1-CG 4.23Å; V57-L76 HydrophobicContact CG2-CD2 4.41Å; V57-L76 HydrophobicContact CG2-CG 4.07Å; R74-L76 HydrophobicContact CB-CD1 4.07Å; L76-T78 HydrophobicContact CB-CG2 4.41Å; L76-Y98 WeakPolarHBondContact O-CA 3.23Å; L76-I99 HydrophobicContact CB-CB 4.27Å; L76-I99 PolarHBondContact N-O 2.92Å; L76-I99 PolarHBondContact O-N 2.94Å; L76-E101 HydrophobicContact CD1-CB 3.54Å; L76-E101 HydrophobicContact CD1-CG 4.49Å
77	S	84.1	Confident	77.7	Confident	19 Å²	19	50.8 Å²	50.8	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.9	172.9	-60.6	0	0	0	0	108.1	L55 G56 Y98	L55-S77 PolarHBondContact N-O 2.79Å; G56-S77 PolarHBondContact N-O 2.62Å; G56-S77 PolarHBondContact O-N 2.82Å; S77-Y98 VanDerWaalsContact OG-CE1 3.27Å; S77-Y98 WeakPolarHBondContact OG-CE1 3.3Å
78	T	76.5	Confident	76.6	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.1	-177	66.5	0	0	0	0	111.4	S53 V54 L76 W80 T97 I99	S53-T78 CarbonylContact O-C 3.5Å; S53-T78 WeakPolarHBondContact O-CA 3.18Å; S53-T78 WeakPolarHBondContact O-CB 3.43Å; V54-T78 HydrophobicContact CB-CG2 4.39Å; V54-T78 HydrophobicContact CG1-CG2 4.44Å; V54-T78 HydrophobicContact CG2-CG2 3.85Å; L76-T78 HydrophobicContact CB-CG2 4.41Å; T78-W80 PolarHBondContact OG1-NE1 2.8Å; T78-W80 VanDerWaalsContact OG1-NE1 3.09Å; T78-T97 PolarHBondContact N-O 3.03Å; T78-T97 PolarHBondContact O-N 2.85Å; T78-T97 PolarHBondContact O-OG1 2.8Å; T78-T97 VanDerWaalsContact O-OG1 3.09Å; T78-T97 PolarHBondContact OG1-OG1 2.8Å; T78-I99 HydrophobicContact CG2-CD1 3.98Å
79	E	73.8	Confident	75.3	Confident	87 Å²	87	45.9 Å²	45.9	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.7	173.9	-178.3	162.6	-127.2	0	0	110.2	S53 L55 T95	S53-E79 WeakPolarHBondContact CB-O 3.39Å; S53-E79 PolarHBondContact O-N 2.87Å; L55-E79 HydrophobicContact CD1-CB 3.78Å; L55-E79 HydrophobicContact CD2-CB 4.38Å; L55-E79 HydrophobicContact CG-CB 4.03Å; E79-T95 PolarHBondContact OE1-OG1 3.4Å
80	W	66.8	Low	73.8	Confident	46 Å²	46	43.7 Å²	43.7	17%	0.174	26%	0.262	C	S	.	.			trans	-95.8	129.4	178.9	-61.4	97.1	0	0	0	110.5	T78 L82 T95 T97 I99 T169 N173	T78-W80 PolarHBondContact OG1-NE1 2.8Å; T78-W80 VanDerWaalsContact OG1-NE1 3.09Å; W80-L82 HydrophobicContact CB-CD2 3.94Å; W80-L82 HydrophobicContact CB-CG 3.78Å; W80-L82 PolarHBondContact O-N 2.84Å; W80-T95 PolarHBondContact N-O 3.44Å; W80-T95 VanDerWaalsContact N-O 3.13Å; W80-T95 WeakPolarHBondContact O-CB 3.46Å; W80-T95 WeakPolarHBondContact O-CG2 3.48Å; W80-T97 PolarHBondContact NE1-OG1 3.08Å; W80-I99 HydrophobicContact CZ2-CD1 4.41Å; W80-T169 HydrophobicContact CE3-CG2 3.76Å; W80-T169 HydrophobicContact CZ3-CG2 3.92Å; W80-N173 HydrophobicContact CH2-CB 4.22Å; W80-N173 VanDerWaalsContact CH2-CG 3.44Å; W80-N173 WeakPolarHBondContact CH2-ND2 3.5Å; W80-N173 HydrophobicContact CZ3-CB 4.5Å; W80-N173 WeakPolarHBondContact CZ3-ND2 3.17Å; W80-N173 WeakPolarHBondContact CZ3-OD1 3.29Å
81	G	59	Low	72.2	Confident	73 Å²	73	44.2 Å²	44.2	75%	0.753	28%	0.282	S	S	*	.			trans	-70.1	64.8	163.4	0	0	0	0	0	111.3
82	L	61.2	Low	70.5	Confident	30 Å²	30	46.3 Å²	46.3	16%	0.157	30%	0.296	C	S	.	.			trans	-64.9	132.8	180	-67.6	177.8	0	0	0	110	W80 V86 R87 L90	W80-L82 HydrophobicContact CB-CD2 3.94Å; W80-L82 HydrophobicContact CB-CG 3.78Å; W80-L82 PolarHBondContact O-N 2.84Å; L82-V86 HydrophobicContact CB-CB 4.23Å; L82-V86 HydrophobicContact CB-CG1 4.3Å; L82-V86 HydrophobicContact CD1-CG1 3.98Å; L82-V86 HydrophobicContact CD2-CG1 4.21Å; L82-V86 HydrophobicContact CG-CG1 4.39Å; L82-R87 HydrophobicContact CB-CG 4.12Å; L82-R87 PolarHBondContact O-NE 3.25Å; L82-L90 HydrophobicContact CD1-CD1 3.5Å; L82-L90 VanDerWaalsContact CD1-CD1 3.5Å
83	P	59.9	Low	68.8	Low	64 Å²	64	51.6 Å²	51.6	42%	0.416	33%	0.333	S	S	.	.			trans	-54.2	148.2	173.5	-24	32.3	0	0	0	111.4	L85 V86 R87	P83-L85 PolarHBondContact O-N 3.45Å; P83-V86 HydrophobicContact CB-CG2 4.5Å; P83-V86 WeakPolarHBondContact O-CB 3.31Å; P83-V86 PolarHBondContact O-N 2.78Å; P83-R87 PolarHBondContact O-N 2.9Å
84	G	57.9	Low	67.2	Low	55 Å²	55	60 Å²	60	57%	0.567	36%	0.363	S	S	*	.	H	α-helix	trans	-53.7	-32.6	-174.6	0	0	0	0	0	114.6	R87 A88	G84-R87 PolarHBondContact O-N 2.98Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 3.13Å
85	L	58.8	Low	66.1	Low	91 Å²	91	60 Å²	60	48%	0.476	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-40.7	175.2	-173.8	67.1	0	0	0	112.5	P83 A88 I89 Y161	P83-L85 PolarHBondContact O-N 3.45Å; L85-A88 PolarHBondContact O-N 3.34Å; L85-I89 HydrophobicContact CD1-CD1 4.45Å; L85-I89 HydrophobicContact CG-CD1 4.14Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.48Å; L85-I89 PolarHBondContact O-N 2.74Å; L85-Y161 HydrophobicContact CD2-CD1 4.21Å; L85-Y161 HydrophobicContact CD2-CE1 3.83Å
86	V	60.9	Low	65.4	Low	12 Å²	12	61.3 Å²	61.3	7%	0.073	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-41.9	177.4	-175.5	0	0	0	0	109.6	L82 P83 A88 I89 L90 L162 L165	L82-V86 HydrophobicContact CB-CB 4.23Å; L82-V86 HydrophobicContact CB-CG1 4.3Å; L82-V86 HydrophobicContact CD1-CG1 3.98Å; L82-V86 HydrophobicContact CD2-CG1 4.21Å; L82-V86 HydrophobicContact CG-CG1 4.39Å; P83-V86 HydrophobicContact CB-CG2 4.5Å; P83-V86 WeakPolarHBondContact O-CB 3.31Å; P83-V86 PolarHBondContact O-N 2.78Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 2.83Å; V86-I89 PolarHBondContact O-N 2.84Å; V86-L90 HydrophobicContact CG1-CD1 3.76Å; V86-L90 HydrophobicContact CG1-CG 4.05Å; V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.48Å; V86-L90 WeakPolarHBondContact O-CG 3.35Å; V86-L90 PolarHBondContact O-N 3.19Å; V86-L162 HydrophobicContact CG2-CD2 3.89Å; V86-L165 HydrophobicContact CG2-CD1 4.45Å
87	R	65.6	Low	64.9	Low	104 Å²	104	61.5 Å²	61.5	39%	0.392	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-41.4	174.4	-63.4	-177	-175.8	-163.7	-5.7	112.5	L82 P83 G84 L90 G91	L82-R87 HydrophobicContact CB-CG 4.12Å; L82-R87 PolarHBondContact O-NE 3.25Å; P83-R87 PolarHBondContact O-N 2.9Å; G84-R87 PolarHBondContact O-N 2.98Å; R87-L90 PolarHBondContact O-N 3.36Å; R87-G91 PolarHBondContact O-N 3.22Å; R87-G91 VanDerWaalsContact O-N 3.12Å
88	A	64.6	Low	65	Low	77 Å²	77	64.9 Å²	64.9	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-64.7	-41.2	177.9	0	0	0	0	0	112.2	G84 L85 V86 G91	G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 3.13Å; L85-A88 PolarHBondContact O-N 3.34Å; V86-A88 VanDerWaalsContact C-N 3.32Å; V86-A88 PolarHBondContact O-N 2.83Å; A88-G91 PolarHBondContact O-N 3.08Å
89	I	62.6	Low	65.4	Low	60 Å²	60	66.2 Å²	66.2	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-71.5	-38	177.2	-67.5	169	0	0	0	111.5	L85 V86 G91 I156 L158 L162	L85-I89 HydrophobicContact CD1-CD1 4.45Å; L85-I89 HydrophobicContact CG-CD1 4.14Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.48Å; L85-I89 PolarHBondContact O-N 2.74Å; V86-I89 PolarHBondContact O-N 2.84Å; I89-G91 PolarHBondContact O-N 2.88Å; I89-I156 HydrophobicContact CG2-CD1 4.05Å; I89-L158 HydrophobicContact CD1-CD1 4.08Å; I89-L162 HydrophobicContact CD1-CD1 4Å; I89-L162 HydrophobicContact CD1-CD2 4.2Å
90	L	61.8	Low	66.2	Low	29 Å²	29	65.6 Å²	65.6	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-72.6	-11.4	178.1	-70.4	-178.4	0	0	0	113.3	L82 V86 R87 T92 L121 L124	L82-L90 HydrophobicContact CD1-CD1 3.5Å; L82-L90 VanDerWaalsContact CD1-CD1 3.5Å; V86-L90 HydrophobicContact CG1-CD1 3.76Å; V86-L90 HydrophobicContact CG1-CG 4.05Å; V86-L90 VanDerWaalsContact O-CB 3.28Å; V86-L90 WeakPolarHBondContact O-CB 3.48Å; V86-L90 WeakPolarHBondContact O-CG 3.35Å; V86-L90 PolarHBondContact O-N 3.19Å; R87-L90 PolarHBondContact O-N 3.36Å; L90-T92 WeakPolarHBondContact CB-OG1 3.27Å; L90-T92 WeakPolarHBondContact O-CG2 3.42Å; L90-T92 PolarHBondContact O-N 3.15Å; L90-T92 PolarHBondContact O-OG1 3.46Å; L90-L121 HydrophobicContact CD1-CD1 3.6Å; L90-L121 HydrophobicContact CD1-CD2 4.16Å; L90-L121 HydrophobicContact CD2-CD1 4.11Å; L90-L121 HydrophobicContact CD2-CD2 3.63Å; L90-L121 HydrophobicContact CD2-CG 4.37Å; L90-L121 HydrophobicContact CG-CD2 4.39Å; L90-L124 HydrophobicContact CD2-CD1 3.19Å
91	G	58.3	Low	67.4	Low	69 Å²	69	64 Å²	64	71%	0.711	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	16.4	-179.9	0	0	0	0	0	114.2	R87 A88 I89	R87-G91 PolarHBondContact O-N 3.22Å; R87-G91 VanDerWaalsContact O-N 3.12Å; A88-G91 PolarHBondContact O-N 3.08Å; I89-G91 PolarHBondContact O-N 2.88Å
92	T	58.6	Low	69	Low	63 Å²	63	63.9 Å²	63.9	39%	0.387	36%	0.36	S	S	.	.			trans	-126.5	124.8	-171.9	45.5	0	0	0	0	109.6	L90 R94	L90-T92 WeakPolarHBondContact CB-OG1 3.27Å; L90-T92 WeakPolarHBondContact O-CG2 3.42Å; L90-T92 PolarHBondContact O-N 3.15Å; L90-T92 PolarHBondContact O-OG1 3.46Å; T92-R94 PolarHBondContact O-N 2.83Å
93	S	55.6	Low	70.5	Confident	111 Å²	111	62.4 Å²	62.4	78%	0.776	35%	0.353	S	S	*	.	S	Bend	trans	-74.2	-12.9	170.9	51.3	0	0	0	0	112.5
94	R	58.5	Low	72.1	Confident	210 Å²	210	60.7 Å²	60.7	79%	0.792	34%	0.341	S	S	*	.			trans	-90.4	116.2	-178.4	-63.6	-174.8	179.6	-176.5	-0.1	110	T92 L96	T92-R94 PolarHBondContact O-N 2.83Å; R94-L96 VanDerWaalsContact C-N 3.28Å
95	T	67.9	Low	73.8	Confident	13 Å²	13	58.8 Å²	58.8	8%	0.08	32%	0.318	C	S	.	.			trans	-86.3	1	176.1	31.1	0	0	0	0	114.1	E79 W80	E79-T95 PolarHBondContact OE1-OG1 3.4Å; W80-T95 PolarHBondContact N-O 3.44Å; W80-T95 VanDerWaalsContact N-O 3.13Å; W80-T95 WeakPolarHBondContact O-CB 3.46Å; W80-T95 WeakPolarHBondContact O-CG2 3.48Å
96	L	74.8	Confident	75.4	Confident	62 Å²	62	55.4 Å²	55.4	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.3	178.5	-168.8	67.8	0	0	0	110.5	L55 R94 Y98	L55-L96 HydrophobicContact CD1-CD1 3.64Å; R94-L96 VanDerWaalsContact C-N 3.28Å; L96-Y98 HydrophobicContact CD2-CE1 4.37Å; L96-Y98 HydrophobicContact CD2-CE2 4.27Å; L96-Y98 VanDerWaalsContact CD2-OH 3.27Å; L96-Y98 WeakPolarHBondContact CD2-OH 3.38Å
97	T	77	Confident	76.6	Confident	12 Å²	12	58.5 Å²	58.5	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.8	175.1	63.2	0	0	0	0	110.1	T78 W80 T120 L121	T78-T97 PolarHBondContact N-O 3.03Å; T78-T97 PolarHBondContact O-N 2.85Å; T78-T97 PolarHBondContact O-OG1 2.8Å; T78-T97 VanDerWaalsContact O-OG1 3.09Å; T78-T97 PolarHBondContact OG1-OG1 2.8Å; W80-T97 PolarHBondContact NE1-OG1 3.08Å; T97-T120 WeakPolarHBondContact CA-OG1 3.4Å; T97-T120 WeakPolarHBondContact CB-OG1 3.38Å; T97-L121 HydrophobicContact CG2-CD1 4.16Å
98	Y	84.3	Confident	77.7	Confident	90 Å²	90	59.4 Å²	59.4	35%	0.353	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.8	177.8	-63.1	-75.8	0	0	0	109.7	L75 L76 S77 L96 I119 T120	L75-Y98 HydrophobicContact CD1-CD1 4.42Å; L75-Y98 HydrophobicContact CD2-CD1 4.42Å; L75-Y98 HydrophobicContact CG-CD1 4.44Å; L76-Y98 WeakPolarHBondContact O-CA 3.23Å; S77-Y98 VanDerWaalsContact OG-CE1 3.27Å; S77-Y98 WeakPolarHBondContact OG-CE1 3.3Å; L96-Y98 HydrophobicContact CD2-CE1 4.37Å; L96-Y98 HydrophobicContact CD2-CE2 4.27Å; L96-Y98 VanDerWaalsContact CD2-OH 3.27Å; L96-Y98 WeakPolarHBondContact CD2-OH 3.38Å; Y98-I119 PolarHBondContact O-N 3.08Å; Y98-T120 HydrophobicContact CD2-CG2 3.57Å; Y98-T120 HydrophobicContact CG-CG2 4.31Å; Y98-T120 PolarHBondContact N-OG1 2.8Å
99	I	86.1	Confident	78.8	Confident	32 Å²	32	62.2 Å²	62.2	16%	0.164	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	177.7	-58.1	170	0	0	0	107.1	L76 T78 W80 T117	L76-I99 HydrophobicContact CB-CB 4.27Å; L76-I99 PolarHBondContact N-O 2.92Å; L76-I99 PolarHBondContact O-N 2.94Å; T78-I99 HydrophobicContact CG2-CD1 3.98Å; W80-I99 HydrophobicContact CZ2-CD1 4.41Å; I99-T117 CarbonylContact C-O 3.5Å; I99-T117 WeakPolarHBondContact CA-O 3.37Å; I99-T117 WeakPolarHBondContact CG2-O 3.44Å
100	Q	90.6	Very high	80	Confident	75 Å²	75	64 Å²	64	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.1	168.3	-170.5	171.8	53.4	0	0	108.3	L73 S116 T117 I119	L73-Q100 HydrophobicContact CD1-CG 3.69Å; Q100-S116 CarbonylContact O-C 3.58Å; Q100-S116 WeakPolarHBondContact O-CA 3.5Å; Q100-T117 PolarHBondContact N-O 3.19Å; Q100-T117 PolarHBondContact O-N 3Å; Q100-I119 HydrophobicContact CB-CD1 3.95Å; Q100-I119 HydrophobicContact CB-CG1 3.94Å
101	E	91.6	Very high	81.4	Confident	13 Å²	13	66 Å²	66	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.4	174.8	-173.9	-166.1	81.2	0	0	109.2	L73 R74 L76 L114 C115	L73-E101 CarbonylContact C-O 3.55Å; L73-E101 WeakPolarHBondContact CA-O 3.01Å; R74-E101 HydrophobicContact CB-CB 4.39Å; R74-E101 IonicContact CZ-OE1 2.89Å; R74-E101 PolarHBondContact N-O 3.04Å; R74-E101 IonicContact NE-OE1 3.2Å; R74-E101 PolarHBondContact NE-OE1 2.76Å; R74-E101 IonicContact NH2-OE1 3.23Å; R74-E101 PolarHBondContact NH2-OE1 3.09Å; R74-E101 IonicContact NH2-OE2 2.8Å; R74-E101 PolarHBondContact O-N 3.34Å; L76-E101 HydrophobicContact CD1-CB 3.54Å; L76-E101 HydrophobicContact CD1-CG 4.49Å; E101-L114 HydrophobicContact CG-CD1 4.12Å; E101-L114 HydrophobicContact CG-CD2 3.75Å; E101-L114 HydrophobicContact CG-CG 3.79Å; E101-C115 CarbonylContact C-O 3.5Å; E101-C115 WeakPolarHBondContact CA-O 3.39Å
102	H	93.2	Very high	82.9	Confident	69 Å²	69	62.8 Å²	62.8	32%	0.319	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.6	176.6	-179.7	-102.6	0	0	0	109.2	H71 S72 L73 V104 L114 C115	H71-H102 AromaticContact ND1-CE1 3.97Å; H71-H102 AromaticContact ND1-NE2 3.91Å; S72-H102 CarbonylContact O-C 3.54Å; S72-H102 WeakPolarHBondContact O-CA 3.47Å; L73-H102 HydrophobicContact CD1-CB 4.1Å; H102-V104 WeakPolarHBondContact CE1-CG2 3.4Å; H102-L114 WeakPolarHBondContact O-CA 3.31Å; H102-C115 PolarHBondContact N-O 3.01Å; H102-C115 PolarHBondContact O-N 2.86Å
103	S	92.9	Very high	84.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.2	177.3	63.1	0	0	0	0	112.2	H71 S72 E113	H71-S103 CarbonylContact C-O 3.55Å; H71-S103 WeakPolarHBondContact CA-O 3.31Å; S72-S103 WeakPolarHBondContact CB-OG 3.38Å; S72-S103 PolarHBondContact N-O 3.36Å; S72-S103 PolarHBondContact O-N 2.97Å; S103-E113 CarbonylContact C-O 3.57Å; S103-E113 VanDerWaalsContact CA-O 3.23Å; S103-E113 WeakPolarHBondContact CA-O 3.04Å
104	V	93.5	Very high	86.1	Confident	27 Å²	27	57.5 Å²	57.5	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.3	175.9	-174.2	0	0	0	0	107.7	R69 L70 H102 M112 E113	R69-V104 HydrophobicContact CB-CG1 4.3Å; L70-V104 CarbonylContact O-C 3.59Å; L70-V104 WeakPolarHBondContact O-CA 3.37Å; H102-V104 WeakPolarHBondContact CE1-CG2 3.4Å; V104-M112 CarbonylContact O-C 3.51Å; V104-M112 WeakPolarHBondContact O-CA 3.47Å; V104-E113 PolarHBondContact N-O 3.09Å; V104-E113 PolarHBondContact O-N 3.09Å
105	V	92.9	Very high	87.6	Confident	15 Å²	15	49.2 Å²	49.2	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.3	175.8	-174.7	0	0	0	0	108.7	W35 I39 M43 R69 L70 M112	W35-V105 HydrophobicContact CH2-CG1 3.76Å; W35-V105 HydrophobicContact CZ2-CG1 4Å; I39-V105 HydrophobicContact CG2-CG1 4.28Å; I39-V105 HydrophobicContact CG2-CG2 4.33Å; M43-V105 HydrophobicContact CE-CG2 3.37Å; R69-V105 CarbonylContact C-O 3.56Å; R69-V105 VanDerWaalsContact CA-O 3.3Å; R69-V105 WeakPolarHBondContact CA-O 3.49Å; L70-V105 HydrophobicContact CB-CB 4.27Å; L70-V105 PolarHBondContact N-O 3.15Å; L70-V105 PolarHBondContact O-N 2.84Å; V105-M112 HydrophobicContact CG2-CB 4.24Å; V105-M112 HydrophobicContact CG2-CG 3.93Å; V105-M112 HydrophobicContact CG2-SD 4.08Å
106	D	92	Very high	88.6	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.112	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.3	171.4	-165	-39.5	0	0	0	109.3	R69 V108 E109 K110 K111	R69-D106 WeakPolarHBondContact CD-OD2 3.28Å; R69-D106 HydrophobicContact CG-CB 4.04Å; R69-D106 WeakPolarHBondContact CG-OD2 3.37Å; D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 WeakPolarHBondContact OD1-CA 3.34Å; D106-V108 WeakPolarHBondContact OD1-CB 3.4Å; D106-V108 PolarHBondContact OD1-N 2.82Å; D106-E109 HydrophobicContact CB-CB 4.26Å; D106-E109 PolarHBondContact OD1-N 2.89Å; D106-K110 WeakPolarHBondContact O-CA 2.94Å; D106-K110 PolarHBondContact O-N 2.79Å; D106-K110 VanDerWaalsContact O-N 3.08Å; D106-K111 PolarHBondContact N-O 2.79Å; D106-K111 PolarHBondContact O-N 3.04Å
107	P	87.5	Confident	89.1	Confident	76 Å²	76	48.2 Å²	48.2	49%	0.494	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.8	178.8	30.6	-34.4	0	0	0	113
108	V	87.6	Confident	89.4	Confident	124 Å²	124	48.9 Å²	48.9	75%	0.752	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-49.5	-179	-178.7	0	0	0	0	109.7	D106 K110	D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 WeakPolarHBondContact OD1-CA 3.34Å; D106-V108 WeakPolarHBondContact OD1-CB 3.4Å; D106-V108 PolarHBondContact OD1-N 2.82Å; V108-K110 PolarHBondContact O-N 2.77Å
109	E	87.4	Confident	89.4	Confident	135 Å²	135	48.5 Å²	48.5	63%	0.631	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.5	175.6	-66.4	-169.6	170.3	0	0	113	D106 K111	D106-E109 HydrophobicContact CB-CB 4.26Å; D106-E109 PolarHBondContact OD1-N 2.89Å; E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 HydrophobicContact CB-CB 4.26Å; E109-K111 PolarHBondContact O-N 2.79Å
110	K	88.6	Confident	88.8	Confident	99 Å²	99	48.6 Å²	48.6	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	52.7	-171.2	-65.7	-170.1	174.6	-165.3	0	111.2	W35 D106 V108 P135	W35-K110 HydrophobicContact CD2-CB 4.04Å; W35-K110 HydrophobicContact CE3-CB 4.12Å; W35-K110 HydrophobicContact CE3-CG 4.25Å; W35-K110 HydrophobicContact CG-CB 4.48Å; W35-K110 VanDerWaalsContact CZ2-C 3.41Å; W35-K110 HydrophobicContact CZ3-CB 4.42Å; W35-K110 HydrophobicContact CZ3-CG 4.41Å; W35-K110 PolarHBondContact NE1-O 2.79Å; D106-K110 WeakPolarHBondContact O-CA 2.94Å; D106-K110 PolarHBondContact O-N 2.79Å; D106-K110 VanDerWaalsContact O-N 3.08Å; V108-K110 PolarHBondContact O-N 2.77Å; K110-P135 HydrophobicContact CB-CG 4.15Å; K110-P135 WeakPolarHBondContact O-CD 3.27Å
111	K	90.4	Very high	87.8	Confident	71 Å²	71	47.4 Å²	47.4	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.5	-177.1	-174.4	179.6	178.4	-171.4	0	109.9	D106 E109 V132 Y133 T134	D106-K111 PolarHBondContact N-O 2.79Å; D106-K111 PolarHBondContact O-N 3.04Å; E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 HydrophobicContact CB-CB 4.26Å; E109-K111 PolarHBondContact O-N 2.79Å; K111-V132 HydrophobicContact CG-CG1 4.33Å; K111-Y133 WeakPolarHBondContact CA-O 3.44Å; K111-T134 HydrophobicContact CB-CG2 4.44Å; K111-T134 HydrophobicContact CD-CG2 4.39Å; K111-T134 HydrophobicContact CG-CG2 3.92Å
112	M	90.5	Very high	86.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.5	168.3	170.8	176.6	167.3	0	0	109	W35 I39 A42 M43 V104 V105 L114 V132 Y133	W35-M112 HydrophobicContact CZ2-CB 4.37Å; I39-M112 HydrophobicContact CB-SD 4.32Å; I39-M112 HydrophobicContact CD1-CB 3.54Å; I39-M112 HydrophobicContact CD1-CG 4.18Å; I39-M112 HydrophobicContact CD1-SD 3.64Å; I39-M112 HydrophobicContact CG1-CB 4.09Å; I39-M112 HydrophobicContact CG1-SD 4.17Å; I39-M112 HydrophobicContact CG2-SD 3.78Å; A42-M112 HydrophobicContact CB-CE 4.35Å; M43-M112 HydrophobicContact CE-CE 3.36Å; M43-M112 HydrophobicContact CE-SD 3.63Å; M43-M112 HydrophobicContact SD-CE 4.09Å; V104-M112 CarbonylContact O-C 3.51Å; V104-M112 WeakPolarHBondContact O-CA 3.47Å; V105-M112 HydrophobicContact CG2-CB 4.24Å; V105-M112 HydrophobicContact CG2-CG 3.93Å; V105-M112 HydrophobicContact CG2-SD 4.08Å; M112-L114 HydrophobicContact CE-CB 4.13Å; M112-L114 HydrophobicContact CE-CD1 3.51Å; M112-L114 HydrophobicContact CE-CG 4.47Å; M112-V132 CarbonylContact O-C 3.47Å; M112-V132 WeakPolarHBondContact O-CA 3.39Å; M112-Y133 HydrophobicContact CB-CD2 4.2Å; M112-Y133 HydrophobicContact CE-CE2 4.32Å; M112-Y133 HydrophobicContact CG-CD2 4.02Å; M112-Y133 PolarHBondContact N-O 2.75Å; M112-Y133 PolarHBondContact O-N 2.82Å; M112-Y133 HydrophobicContact SD-CD2 4.21Å; M112-Y133 HydrophobicContact SD-CE2 4.5Å
113	E	91	Very high	85.4	Confident	56 Å²	56	51.8 Å²	51.8	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137	171.1	-176.1	162	-156.4	0	0	109	S103 V104 R130 L131 V132	S103-E113 CarbonylContact C-O 3.57Å; S103-E113 VanDerWaalsContact CA-O 3.23Å; S103-E113 WeakPolarHBondContact CA-O 3.04Å; V104-E113 PolarHBondContact N-O 3.09Å; V104-E113 PolarHBondContact O-N 3.09Å; E113-R130 WeakPolarHBondContact OE1-CD 3.37Å; E113-R130 IonicContact OE1-NH1 2.72Å; E113-R130 PolarHBondContact OE1-NH1 2.76Å; E113-L131 CarbonylContact C-O 3.44Å; E113-L131 WeakPolarHBondContact CA-O 3.35Å; E113-V132 HydrophobicContact CG-CG2 4.18Å
114	L	90.2	Very high	84.2	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.5	-179.1	-174.8	146.5	0	0	0	108.5	E101 H102 M112 S116 R130 L131	E101-L114 HydrophobicContact CG-CD1 4.12Å; E101-L114 HydrophobicContact CG-CD2 3.75Å; E101-L114 HydrophobicContact CG-CG 3.79Å; H102-L114 WeakPolarHBondContact O-CA 3.31Å; M112-L114 HydrophobicContact CE-CB 4.13Å; M112-L114 HydrophobicContact CE-CD1 3.51Å; M112-L114 HydrophobicContact CE-CG 4.47Å; L114-S116 WeakPolarHBondContact CD2-OG 3.16Å; L114-R130 CarbonylContact O-C 3.59Å; L114-R130 WeakPolarHBondContact O-CA 3.43Å; L114-L131 HydrophobicContact CB-CB 4.25Å; L114-L131 HydrophobicContact CD2-CB 4.46Å; L114-L131 HydrophobicContact CD2-CD1 3.78Å; L114-L131 PolarHBondContact N-O 2.8Å; L114-L131 PolarHBondContact O-N 2.79Å
115	C	90	Very high	83	Confident	36 Å²	36	52.7 Å²	52.7	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.3	-178.9	-62.9	0	0	0	0	109.1	E101 H102 E129	E101-C115 CarbonylContact C-O 3.5Å; E101-C115 WeakPolarHBondContact CA-O 3.39Å; H102-C115 PolarHBondContact N-O 3.01Å; H102-C115 PolarHBondContact O-N 2.86Å; C115-E129 CarbonylContact C-O 3.59Å; C115-E129 VanDerWaalsContact CA-O 3.31Å; C115-E129 WeakPolarHBondContact CA-O 3.42Å
116	S	88.2	Confident	82.1	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.1	180	-61.6	0	0	0	0	110.2	Q100 L114 E129	Q100-S116 CarbonylContact O-C 3.58Å; Q100-S116 WeakPolarHBondContact O-CA 3.5Å; L114-S116 WeakPolarHBondContact CD2-OG 3.16Å; S116-E129 PolarHBondContact N-O 2.83Å; S116-E129 PolarHBondContact O-N 2.79Å
117	T	86.8	Confident	81.2	Confident	41 Å²	41	54.1 Å²	54.1	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.3	178	54.2	0	0	0	0	110.6	I99 Q100 V127 N128	I99-T117 CarbonylContact C-O 3.5Å; I99-T117 WeakPolarHBondContact CA-O 3.37Å; I99-T117 WeakPolarHBondContact CG2-O 3.44Å; Q100-T117 PolarHBondContact N-O 3.19Å; Q100-T117 PolarHBondContact O-N 3Å; T117-V127 WeakPolarHBondContact CA-O 3.2Å; T117-N128 HydrophobicContact CG2-CB 4.27Å
118	N	82.7	Confident	80.9	Confident	26 Å²	26	53.8 Å²	53.8	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.4	172.5	69.8	-58.3	0	0	0	110.5	T120 T122 V125 S126 V127	N118-T120 PolarHBondContact ND2-O 3.44Å; N118-T122 WeakPolarHBondContact O-CG2 3.47Å; N118-V125 PolarHBondContact ND2-O 2.83Å; N118-S126 WeakPolarHBondContact OD1-CA 3.32Å; N118-V127 PolarHBondContact N-O 2.84Å; N118-V127 PolarHBondContact OD1-N 3.48Å; N118-V127 PolarHBondContact OD1-O 2.78Å
119	I	83.6	Confident	80.6	Confident	81 Å²	81	49.7 Å²	49.7	42%	0.415	26%	0.262	S	S	.	.			trans	-89.7	-45	173.7	-58.8	171	0	0	0	109.5	L75 Y98 Q100 T122	L75-I119 HydrophobicContact CD1-CD1 3.53Å; Y98-I119 PolarHBondContact O-N 3.08Å; Q100-I119 HydrophobicContact CB-CD1 3.95Å; Q100-I119 HydrophobicContact CB-CG1 3.94Å; I119-T122 VanDerWaalsContact O-CG2 3.32Å; I119-T122 WeakPolarHBondContact O-CG2 3.38Å; I119-T122 PolarHBondContact O-OG1 2.8Å
120	T	73.2	Confident	80.5	Confident	35 Å²	35	47.2 Å²	47.2	22%	0.215	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	148.7	180	49.2	0	0	0	0	111.6	T97 Y98 N118 T122	T97-T120 WeakPolarHBondContact CA-OG1 3.4Å; T97-T120 WeakPolarHBondContact CB-OG1 3.38Å; Y98-T120 HydrophobicContact CD2-CG2 3.57Å; Y98-T120 HydrophobicContact CG-CG2 4.31Å; Y98-T120 PolarHBondContact N-OG1 2.8Å; N118-T120 PolarHBondContact ND2-O 3.44Å; T120-T122 PolarHBondContact O-N 3.13Å
121	L	69.5	Low	80.5	Confident	50 Å²	50	43.1 Å²	43.1	26%	0.262	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	12.8	177.1	-52.5	177.2	0	0	0	115.3	L90 T97 N123 L124 V125	L90-L121 HydrophobicContact CD1-CD1 3.6Å; L90-L121 HydrophobicContact CD1-CD2 4.16Å; L90-L121 HydrophobicContact CD2-CD1 4.11Å; L90-L121 HydrophobicContact CD2-CD2 3.63Å; L90-L121 HydrophobicContact CD2-CG 4.37Å; L90-L121 HydrophobicContact CG-CD2 4.39Å; T97-L121 HydrophobicContact CG2-CD1 4.16Å; L121-N123 WeakPolarHBondContact CA-OD1 3.43Å; L121-N123 PolarHBondContact O-N 3.33Å; L121-N123 VanDerWaalsContact O-N 3.12Å; L121-N123 PolarHBondContact O-OD1 2.89Å; L121-L124 PolarHBondContact O-N 3.41Å; L121-V125 CarbonylContact C-O 3.58Å; L121-V125 PolarHBondContact O-N 3.21Å
122	T	68.9	Low	80.3	Confident	59 Å²	59	40.5 Å²	40.5	36%	0.362	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.5	178.5	48.5	0	0	0	0	114.1	N118 I119 T120 L124 V125	N118-T122 WeakPolarHBondContact O-CG2 3.47Å; I119-T122 VanDerWaalsContact O-CG2 3.32Å; I119-T122 WeakPolarHBondContact O-CG2 3.38Å; I119-T122 PolarHBondContact O-OG1 2.8Å; T120-T122 PolarHBondContact O-N 3.13Å; T122-L124 VanDerWaalsContact C-N 3.26Å; T122-L124 PolarHBondContact O-N 2.86Å; T122-V125 WeakPolarHBondContact CA-O 3.28Å
123	N	65.9	Low	80.1	Confident	114 Å²	114	40.7 Å²	40.7	61%	0.61	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25	172.9	61.9	-40.5	0	0	0	113.1	L121	L121-N123 WeakPolarHBondContact CA-OD1 3.43Å; L121-N123 PolarHBondContact O-N 3.33Å; L121-N123 VanDerWaalsContact O-N 3.12Å; L121-N123 PolarHBondContact O-OD1 2.89Å
124	L	68	Low	80	Confident	32 Å²	32	40.1 Å²	40.1	17%	0.168	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-40.7	179.8	-63.7	169.9	0	0	0	111.2	L90 L121 T122 V153 K154 I156	L90-L124 HydrophobicContact CD2-CD1 3.19Å; L121-L124 PolarHBondContact O-N 3.41Å; T122-L124 VanDerWaalsContact C-N 3.26Å; T122-L124 PolarHBondContact O-N 2.86Å; L124-V153 CarbonylContact O-C 3.51Å; L124-V153 WeakPolarHBondContact O-CA 3.44Å; L124-K154 PolarHBondContact O-N 3.42Å; L124-I156 HydrophobicContact CD2-CD1 4.13Å; L124-I156 HydrophobicContact CD2-CG1 4.21Å
125	V	68.8	Low	79.8	Confident	15 Å²	15	41.7 Å²	41.7	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	121.3	-170.8	-171.6	0	0	0	0	109.3	N118 L121 T122 V127 I151 T152 M166	N118-V125 PolarHBondContact ND2-O 2.83Å; L121-V125 CarbonylContact C-O 3.58Å; L121-V125 PolarHBondContact O-N 3.21Å; T122-V125 WeakPolarHBondContact CA-O 3.28Å; V125-V127 HydrophobicContact CG1-CG2 4.15Å; V125-I151 HydrophobicContact CG1-CG2 4.23Å; V125-T152 CarbonylContact C-O 3.57Å; V125-T152 WeakPolarHBondContact CA-O 3.4Å; V125-M166 HydrophobicContact CB-CE 4.09Å; V125-M166 HydrophobicContact CB-SD 4.01Å; V125-M166 HydrophobicContact CG1-CE 3.62Å; V125-M166 HydrophobicContact CG1-SD 3.68Å; V125-M166 HydrophobicContact CG2-CE 3.31Å; V125-M166 HydrophobicContact CG2-SD 3.42Å; V125-M166 WeakPolarHBondContact CG2-SD 3.32Å
126	S	72.8	Confident	79.5	Confident	37 Å²	37	42.2 Å²	42.2	26%	0.259	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.4	171.9	-164.5	0	0	0	0	108.8	N118 I151 T152	N118-S126 WeakPolarHBondContact OD1-CA 3.32Å; S126-I151 CarbonylContact O-C 3.59Å; S126-I151 WeakPolarHBondContact O-CA 3.05Å; S126-T152 PolarHBondContact N-O 3.31Å; S126-T152 PolarHBondContact O-N 3.19Å
127	V	74.6	Confident	79.1	Confident	28 Å²	28	47.4 Å²	47.4	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.8	175.5	-175.5	0	0	0	0	106.5	T117 N118 V125 I150 I170	T117-V127 WeakPolarHBondContact CA-O 3.2Å; N118-V127 PolarHBondContact N-O 2.84Å; N118-V127 PolarHBondContact OD1-N 3.48Å; N118-V127 PolarHBondContact OD1-O 2.78Å; V125-V127 HydrophobicContact CG1-CG2 4.15Å; V127-I150 WeakPolarHBondContact CA-O 3.11Å; V127-I170 HydrophobicContact CB-CD1 4.42Å; V127-I170 HydrophobicContact CG1-CD1 3.89Å; V127-I170 HydrophobicContact CG2-CD1 3.6Å
128	N	79.5	Confident	78.8	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.5	172	-170.3	-35.6	0	0	0	107.5	T117 A149 I150	T117-N128 HydrophobicContact CG2-CB 4.27Å; N128-A149 WeakPolarHBondContact O-CA 3.43Å; N128-I150 PolarHBondContact N-O 2.89Å; N128-I150 PolarHBondContact O-N 3.05Å
129	E	82.9	Confident	78.7	Confident	38 Å²	38	55 Å²	55	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.3	177.8	178.1	174.9	-113.1	0	0	109.5	C115 S116 L131 Q147 E148	C115-E129 CarbonylContact C-O 3.59Å; C115-E129 VanDerWaalsContact CA-O 3.31Å; C115-E129 WeakPolarHBondContact CA-O 3.42Å; S116-E129 PolarHBondContact N-O 2.83Å; S116-E129 PolarHBondContact O-N 2.79Å; E129-L131 HydrophobicContact CG-CD1 4.24Å; E129-L131 HydrophobicContact CG-CG 4.35Å; E129-Q147 PolarHBondContact OE1-NE2 2.72Å; E129-E148 CarbonylContact C-O 3.6Å; E129-E148 VanDerWaalsContact CA-O 3.32Å; E129-E148 WeakPolarHBondContact CA-O 3.46Å
130	R	85.3	Confident	78.4	Confident	82 Å²	82	55.7 Å²	55.7	31%	0.309	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.5	178.9	-170.6	174.1	79.7	106.3	-2.1	109.1	E113 L114 V132 Q147 E148	E113-R130 WeakPolarHBondContact OE1-CD 3.37Å; E113-R130 IonicContact OE1-NH1 2.72Å; E113-R130 PolarHBondContact OE1-NH1 2.76Å; L114-R130 CarbonylContact O-C 3.59Å; L114-R130 WeakPolarHBondContact O-CA 3.43Å; R130-V132 HydrophobicContact CG-CG2 4.48Å; R130-Q147 CarbonylContact O-C 3.55Å; R130-Q147 WeakPolarHBondContact O-CA 3.48Å; R130-E148 HydrophobicContact CB-CB 4.4Å; R130-E148 IonicContact CZ-OE2 3.89Å; R130-E148 VanDerWaalsContact CZ-OE2 3.23Å; R130-E148 PolarHBondContact N-O 2.81Å; R130-E148 IonicContact NE-OE2 2.75Å; R130-E148 PolarHBondContact NE-OE2 3.47Å; R130-E148 IonicContact NH2-OE1 3.78Å; R130-E148 PolarHBondContact NH2-OE1 3.13Å; R130-E148 IonicContact NH2-OE2 2.68Å; R130-E148 PolarHBondContact NH2-OE2 2.75Å; R130-E148 PolarHBondContact O-N 2.81Å
131	L	87.1	Confident	78.8	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.8	-178.6	-74.9	150.5	0	0	0	108.3	E113 L114 E129 Y133 L145 T146 Q147	E113-L131 CarbonylContact C-O 3.44Å; E113-L131 WeakPolarHBondContact CA-O 3.35Å; L114-L131 HydrophobicContact CB-CB 4.25Å; L114-L131 HydrophobicContact CD2-CB 4.46Å; L114-L131 HydrophobicContact CD2-CD1 3.78Å; L114-L131 PolarHBondContact N-O 2.8Å; L114-L131 PolarHBondContact O-N 2.79Å; E129-L131 HydrophobicContact CG-CD1 4.24Å; E129-L131 HydrophobicContact CG-CG 4.35Å; L131-Y133 HydrophobicContact CB-CE2 4.15Å; L131-L145 HydrophobicContact CB-CD1 4.21Å; L131-L145 HydrophobicContact CD2-CD1 3.7Å; L131-L145 HydrophobicContact CD2-CD2 4.14Å; L131-L145 HydrophobicContact CD2-CG 4.18Å; L131-T146 CarbonylContact C-O 3.56Å; L131-T146 VanDerWaalsContact CA-O 3.32Å; L131-T146 WeakPolarHBondContact CA-O 3.34Å; L131-Q147 HydrophobicContact CD2-CB 3.61Å; L131-Q147 HydrophobicContact CD2-CG 3.55Å; L131-Q147 HydrophobicContact CG-CG 4.16Å
132	V	87.6	Confident	79.4	Confident	15 Å²	15	60 Å²	60	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.6	-179.7	-177.3	0	0	0	0	109.1	K111 M112 E113 R130 T134 L145 T146	K111-V132 HydrophobicContact CG-CG1 4.33Å; M112-V132 CarbonylContact O-C 3.47Å; M112-V132 WeakPolarHBondContact O-CA 3.39Å; E113-V132 HydrophobicContact CG-CG2 4.18Å; R130-V132 HydrophobicContact CG-CG2 4.48Å; V132-T134 HydrophobicContact CG1-CG2 4.11Å; V132-L145 CarbonylContact O-C 3.51Å; V132-L145 WeakPolarHBondContact O-CA 3.06Å; V132-T146 PolarHBondContact N-O 3.19Å; V132-T146 PolarHBondContact O-N 2.75Å
133	Y	86.3	Confident	80.1	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.6	176.7	-57.5	-99.2	0	0	0	109.5	W35 V38 I39 K111 M112 L131 T143 V144 L145	W35-Y133 PolarHBondContact NE1-O 2.96Å; V38-Y133 HydrophobicContact CG1-CD1 3.68Å; V38-Y133 HydrophobicContact CG1-CE1 3.91Å; I39-Y133 HydrophobicContact CD1-CD1 4.37Å; I39-Y133 HydrophobicContact CD1-CD2 4.42Å; I39-Y133 HydrophobicContact CD1-CG 3.91Å; K111-Y133 WeakPolarHBondContact CA-O 3.44Å; M112-Y133 HydrophobicContact CB-CD2 4.2Å; M112-Y133 HydrophobicContact CE-CE2 4.32Å; M112-Y133 HydrophobicContact CG-CD2 4.02Å; M112-Y133 PolarHBondContact N-O 2.75Å; M112-Y133 PolarHBondContact O-N 2.82Å; M112-Y133 HydrophobicContact SD-CD2 4.21Å; M112-Y133 HydrophobicContact SD-CE2 4.5Å; L131-Y133 HydrophobicContact CB-CE2 4.15Å; Y133-T143 HydrophobicContact CD1-CG2 4.44Å; Y133-V144 WeakPolarHBondContact CA-O 3.17Å; Y133-L145 HydrophobicContact CD1-CB 4.25Å; Y133-L145 HydrophobicContact CD1-CD1 3.62Å; Y133-L145 HydrophobicContact CD1-CG 4.36Å; Y133-L145 HydrophobicContact CD2-CD1 3.94Å; Y133-L145 HydrophobicContact CE1-CB 4.31Å; Y133-L145 HydrophobicContact CE1-CD1 3.4Å; Y133-L145 VanDerWaalsContact CE1-CD1 3.4Å; Y133-L145 HydrophobicContact CE1-CD2 3.84Å; Y133-L145 HydrophobicContact CE1-CG 4.03Å; Y133-L145 HydrophobicContact CE2-CD1 3.73Å; Y133-L145 HydrophobicContact CG-CD1 3.87Å; Y133-L145 VanDerWaalsContact CZ-CD1 3.44Å
134	T	87.6	Confident	81	Confident	44 Å²	44	53 Å²	53	27%	0.27	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	177.8	48.3	0	0	0	0	110.1	K111 V132 T143 V144	K111-T134 HydrophobicContact CB-CG2 4.44Å; K111-T134 HydrophobicContact CD-CG2 4.39Å; K111-T134 HydrophobicContact CG-CG2 3.92Å; V132-T134 HydrophobicContact CG1-CG2 4.11Å; T134-T143 CarbonylContact O-C 3.54Å; T134-V144 PolarHBondContact N-O 2.8Å; T134-V144 PolarHBondContact O-N 3.41Å
135	P	87.7	Confident	81.6	Confident	41 Å²	41	51.8 Å²	51.8	27%	0.266	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	149	171.6	26.3	-35.1	0	0	0	110.7	K110	K110-P135 HydrophobicContact CB-CG 4.15Å; K110-P135 WeakPolarHBondContact O-CD 3.27Å
136	H	81.8	Confident	82.3	Confident	47 Å²	47	52.9 Å²	52.9	22%	0.218	29%	0.285	C	S	.	.			trans	-68	133	177	-171.9	-81.7	0	0	0	109.9	E138 N139 M142 V144	H136-E138 IonicContact CE1-OE2 3.05Å; H136-E138 PolarHBondContact ND1-N 2.98Å; H136-E138 VanDerWaalsContact ND1-N 3.19Å; H136-E138 PolarHBondContact O-N 2.79Å; H136-N139 WeakPolarHBondContact CB-O 3.32Å; H136-N139 PolarHBondContact ND1-N 3.01Å; H136-N139 CarbonylContact O-C 3.4Å; H136-N139 PolarHBondContact O-N 3.35Å; H136-M142 HydrophobicContact CB-CB 3.83Å; H136-M142 PolarHBondContact N-O 2.78Å; H136-V144 HydrophobicContact CB-CG2 4Å
137	P	80.5	Confident	82.6	Confident	121 Å²	121	53.1 Å²	53.1	79%	0.786	28%	0.282	S	S	*	.	S	Bend	trans	-61.2	-31.3	-173.2	22.7	-33.7	0	0	0	113.2
138	E	81.8	Confident	82.8	Confident	173 Å²	173	54.6 Å²	54.6	81%	0.808	29%	0.287	S	S	*	.	S	Bend	trans	-97.9	-17.8	-179.6	-55.2	177.7	170.5	0	0	113.5	H136	H136-E138 IonicContact CE1-OE2 3.05Å; H136-E138 PolarHBondContact ND1-N 2.98Å; H136-E138 VanDerWaalsContact ND1-N 3.19Å; H136-E138 PolarHBondContact O-N 2.79Å
139	N	79	Confident	82.5	Confident	55 Å²	55	52.6 Å²	52.6	29%	0.294	28%	0.28	S	S	.	.			trans	-142.9	98.5	-174.1	-168.8	-8.1	0	0	0	111.7	H136 E141 M142	H136-N139 WeakPolarHBondContact CB-O 3.32Å; H136-N139 PolarHBondContact ND1-N 3.01Å; H136-N139 CarbonylContact O-C 3.4Å; H136-N139 PolarHBondContact O-N 3.35Å; N139-E141 PolarHBondContact O-N 3.12Å; N139-E141 WeakPolarHBondContact OD1-CB 3.47Å; N139-E141 PolarHBondContact OD1-N 3.38Å; N139-M142 HydrophobicContact CB-CB 4.49Å; N139-M142 HydrophobicContact CB-CG 4.3Å; N139-M142 HydrophobicContact CB-SD 4.34Å; N139-M142 WeakPolarHBondContact ND2-CE 2.89Å; N139-M142 PolarHBondContact O-N 2.82Å
140	P	78.3	Confident	82.2	Confident	95 Å²	95	55.6 Å²	55.6	62%	0.617	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.8	-178.3	-23.3	33.8	0	0	0	115	M142	P140-M142 PolarHBondContact O-N 2.87Å
141	E	82.1	Confident	81.5	Confident	118 Å²	118	53.4 Å²	53.4	55%	0.551	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2	176.5	-62.1	-63.2	126.7	0	0	113	H33 P34 N139	H33-E141 CarbonylContact C-O 3.57Å; H33-E141 WeakPolarHBondContact CA-O 3.4Å; H33-E141 PolarHBondContact N-O 2.93Å; P34-E141 WeakPolarHBondContact CG-OE2 3.36Å; P34-E141 VanDerWaalsContact N-O 3.17Å; N139-E141 PolarHBondContact O-N 3.12Å; N139-E141 WeakPolarHBondContact OD1-CB 3.47Å; N139-E141 PolarHBondContact OD1-N 3.38Å
142	M	81.9	Confident	80.7	Confident	58 Å²	58	55.7 Å²	55.7	29%	0.286	31%	0.305	S	S	.	.	S	Bend	trans	-120.4	149.8	179.3	-61.2	-175.1	176.2	0	0	110.8	V30 C31 H136 N139 P140	V30-M142 HydrophobicContact CG1-CB 4.15Å; V30-M142 HydrophobicContact CG1-SD 4.3Å; C31-M142 VanDerWaalsContact O-CA 3.31Å; C31-M142 WeakPolarHBondContact O-CA 2.79Å; H136-M142 HydrophobicContact CB-CB 3.83Å; H136-M142 PolarHBondContact N-O 2.78Å; N139-M142 HydrophobicContact CB-CB 4.49Å; N139-M142 HydrophobicContact CB-CG 4.3Å; N139-M142 HydrophobicContact CB-SD 4.34Å; N139-M142 WeakPolarHBondContact ND2-CE 2.89Å; N139-M142 PolarHBondContact O-N 2.82Å; P140-M142 PolarHBondContact O-N 2.87Å
143	T	82.4	Confident	79.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129	178.5	-55.3	0	0	0	0	109.6	V30 C31 H33 W35 V38 Y133 T134	V30-T143 CarbonylContact C-O 2.96Å; V30-T143 WeakPolarHBondContact CA-O 3.34Å; C31-T143 PolarHBondContact N-O 3.46Å; C31-T143 PolarHBondContact O-N 3.37Å; H33-T143 PolarHBondContact O-N 2.79Å; H33-T143 PolarHBondContact O-OG1 3.25Å; W35-T143 WeakPolarHBondContact CA-OG1 3.47Å; W35-T143 PolarHBondContact N-OG1 2.92Å; W35-T143 VanDerWaalsContact N-OG1 3.15Å; V38-T143 HydrophobicContact CB-CG2 4.36Å; V38-T143 HydrophobicContact CG1-CG2 4.22Å; V38-T143 HydrophobicContact CG2-CG2 4.47Å; Y133-T143 HydrophobicContact CD1-CG2 4.44Å; T134-T143 CarbonylContact O-C 3.54Å
144	V	84.4	Confident	78.8	Confident	25 Å²	25	62.1 Å²	62.1	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123	170.5	-177.8	0	0	0	0	108.3	A28 V30 Y133 T134 H136	A28-V144 HydrophobicContact CB-CG1 4.49Å; V30-V144 HydrophobicContact CG2-CG2 4.45Å; Y133-V144 WeakPolarHBondContact CA-O 3.17Å; T134-V144 PolarHBondContact N-O 2.8Å; T134-V144 PolarHBondContact O-N 3.41Å; H136-V144 HydrophobicContact CB-CG2 4Å
145	L	82	Confident	77.3	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.5	171.1	174	56.8	0	0	0	108.9	A28 E29 L131 V132 Y133 W178	A28-L145 CarbonylContact C-O 3.53Å; A28-L145 VanDerWaalsContact CA-O 3.28Å; A28-L145 WeakPolarHBondContact CA-O 3.5Å; E29-L145 PolarHBondContact N-O 2.97Å; E29-L145 PolarHBondContact O-N 3.3Å; L131-L145 HydrophobicContact CB-CD1 4.21Å; L131-L145 HydrophobicContact CD2-CD1 3.7Å; L131-L145 HydrophobicContact CD2-CD2 4.14Å; L131-L145 HydrophobicContact CD2-CG 4.18Å; V132-L145 CarbonylContact O-C 3.51Å; V132-L145 WeakPolarHBondContact O-CA 3.06Å; Y133-L145 HydrophobicContact CD1-CB 4.25Å; Y133-L145 HydrophobicContact CD1-CD1 3.62Å; Y133-L145 HydrophobicContact CD1-CG 4.36Å; Y133-L145 HydrophobicContact CD2-CD1 3.94Å; Y133-L145 HydrophobicContact CE1-CB 4.31Å; Y133-L145 HydrophobicContact CE1-CD1 3.4Å; Y133-L145 VanDerWaalsContact CE1-CD1 3.4Å; Y133-L145 HydrophobicContact CE1-CD2 3.84Å; Y133-L145 HydrophobicContact CE1-CG 4.03Å; Y133-L145 HydrophobicContact CE2-CD1 3.73Å; Y133-L145 HydrophobicContact CG-CD1 3.87Å; Y133-L145 VanDerWaalsContact CZ-CD1 3.44Å; L145-W178 HydrophobicContact CD2-CE3 4.41Å; L145-W178 HydrophobicContact CD2-CZ3 4.48Å
146	T	82.7	Confident	75.9	Confident	38 Å²	38	64.4 Å²	64.4	23%	0.233	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.5	170.3	-52.4	0	0	0	0	109.3	P26 G27 L131 V132	P26-T146 HydrophobicContact CB-CG2 4.29Å; G27-T146 CarbonylContact O-C 3.56Å; G27-T146 WeakPolarHBondContact O-CA 3.39Å; L131-T146 CarbonylContact C-O 3.56Å; L131-T146 VanDerWaalsContact CA-O 3.32Å; L131-T146 WeakPolarHBondContact CA-O 3.34Å; V132-T146 PolarHBondContact N-O 3.19Å; V132-T146 PolarHBondContact O-N 2.75Å
147	Q	78.4	Confident	74.5	Confident	43 Å²	43	68.5 Å²	68.5	20%	0.201	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.1	177	-175.3	174.3	-24.8	0	0	110.7	P26 G27 E129 R130 L131 A174	P26-Q147 WeakPolarHBondContact CA-O 3.42Å; G27-Q147 PolarHBondContact N-O 2.8Å; G27-Q147 PolarHBondContact O-N 2.82Å; E129-Q147 PolarHBondContact OE1-NE2 2.72Å; R130-Q147 CarbonylContact O-C 3.55Å; R130-Q147 WeakPolarHBondContact O-CA 3.48Å; L131-Q147 HydrophobicContact CD2-CB 3.61Å; L131-Q147 HydrophobicContact CD2-CG 3.55Å; L131-Q147 HydrophobicContact CG-CG 4.16Å; Q147-A174 VanDerWaalsContact NE2-CB 3.33Å
148	E	79	Confident	73.3	Confident	59 Å²	59	67.1 Å²	67.1	28%	0.276	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.4	175.3	-68.2	173.4	-179	0	0	108.8	P26 E129 R130	P26-E148 HydrophobicContact CB-CG 4.04Å; E129-E148 CarbonylContact C-O 3.6Å; E129-E148 VanDerWaalsContact CA-O 3.32Å; E129-E148 WeakPolarHBondContact CA-O 3.46Å; R130-E148 HydrophobicContact CB-CB 4.4Å; R130-E148 IonicContact CZ-OE2 3.89Å; R130-E148 VanDerWaalsContact CZ-OE2 3.23Å; R130-E148 PolarHBondContact N-O 2.81Å; R130-E148 IonicContact NE-OE2 2.75Å; R130-E148 PolarHBondContact NE-OE2 3.47Å; R130-E148 IonicContact NH2-OE1 3.78Å; R130-E148 PolarHBondContact NH2-OE1 3.13Å; R130-E148 IonicContact NH2-OE2 2.68Å; R130-E148 PolarHBondContact NH2-OE2 2.75Å; R130-E148 PolarHBondContact O-N 2.81Å
149	A	74.4	Confident	72.2	Confident	27 Å²	27	59.8 Å²	59.8	22%	0.223	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	176.1	0	0	0	0	0	110.7	N128	N128-A149 WeakPolarHBondContact O-CA 3.43Å
150	I	75.4	Confident	71.4	Confident	101 Å²	101	61.4 Å²	61.4	52%	0.518	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.6	177.5	-57.6	174.7	0	0	0	107.8	V127 N128	V127-I150 WeakPolarHBondContact CA-O 3.11Å; N128-I150 PolarHBondContact N-O 2.89Å; N128-I150 PolarHBondContact O-N 3.05Å
151	I	72	Confident	70.7	Confident	36 Å²	36	63.4 Å²	63.4	19%	0.185	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.6	177.6	-56	166.8	0	0	0	107.8	V125 S126 V153 A167 I170	V125-I151 HydrophobicContact CG1-CG2 4.23Å; S126-I151 CarbonylContact O-C 3.59Å; S126-I151 WeakPolarHBondContact O-CA 3.05Å; I151-V153 HydrophobicContact CG2-CG2 4.33Å; I151-A167 HydrophobicContact CD1-CB 4.07Å; I151-I170 HydrophobicContact CD1-CD1 3.6Å; I151-I170 HydrophobicContact CG1-CD1 3.93Å
152	T	69.3	Low	69.9	Low	62 Å²	62	58.2 Å²	58.2	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.1	176.5	-54.4	0	0	0	0	108.7	V125 S126 K154	V125-T152 CarbonylContact C-O 3.57Å; V125-T152 WeakPolarHBondContact CA-O 3.4Å; S126-T152 PolarHBondContact N-O 3.31Å; S126-T152 PolarHBondContact O-N 3.19Å; T152-K154 HydrophobicContact CG2-CG 4.24Å
153	V	67.4	Low	69	Low	41 Å²	41	57.7 Å²	57.7	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.3	174.3	-176.1	0	0	0	0	108.6	L124 I151 E163 M166	L124-V153 CarbonylContact O-C 3.51Å; L124-V153 WeakPolarHBondContact O-CA 3.44Å; I151-V153 HydrophobicContact CG2-CG2 4.33Å; V153-E163 HydrophobicContact CG2-CB 4.21Å; V153-E163 HydrophobicContact CG2-CG 4.41Å; V153-M166 HydrophobicContact CG2-CE 3.77Å
154	K	66.9	Low	68.3	Low	115 Å²	115	60.7 Å²	60.7	50%	0.5	36%	0.36	S	S	.	.			trans	-117.6	130.4	-178.6	-64.4	-179.6	-179.1	174.4	0	109.7	L124 T152	L124-K154 PolarHBondContact O-N 3.42Å; T152-K154 HydrophobicContact CG2-CG 4.24Å
155	G	56.6	Low	67.5	Low	87 Å²	87	61.5 Å²	61.5	90%	0.897	36%	0.363	S	S	*	.	S	Bend	trans	83.1	20.1	156	0	0	0	0	0	119
156	I	57	Low	66.6	Low	45 Å²	45	62.8 Å²	62.8	23%	0.231	37%	0.369	C	S	.	.			trans	-132.3	128	175.9	-35.4	170.9	0	0	0	110.9	I89 L124 L158 G159 L162	I89-I156 HydrophobicContact CG2-CD1 4.05Å; L124-I156 HydrophobicContact CD2-CD1 4.13Å; L124-I156 HydrophobicContact CD2-CG1 4.21Å; I156-L158 HydrophobicContact CG2-CB 3.95Å; I156-L158 HydrophobicContact CG2-CD1 4.45Å; I156-L158 HydrophobicContact CG2-CG 4.39Å; I156-L158 PolarHBondContact O-N 2.71Å; I156-L158 VanDerWaalsContact O-N 3.16Å; I156-G159 PolarHBondContact O-N 2.89Å; I156-G159 VanDerWaalsContact O-N 3.13Å; I156-L162 HydrophobicContact CB-CD1 4.47Å; I156-L162 HydrophobicContact CD1-CD1 3.49Å; I156-L162 VanDerWaalsContact CD1-CD1 3.49Å; I156-L162 HydrophobicContact CG2-CD1 4.27Å
157	S	54	Low	65.7	Low	133 Å²	133	61.3 Å²	61.3	93%	0.93	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.8	174.1	65.6	0	0	0	0	113.8	G159	S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 2.8Å
158	L	55.3	Low	65.1	Low	92 Å²	92	64.3 Å²	64.3	48%	0.482	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	18.5	171.6	-64.3	169.2	0	0	0	112.9	I89 I156 S160 Y161 L162	I89-L158 HydrophobicContact CD1-CD1 4.08Å; I156-L158 HydrophobicContact CG2-CB 3.95Å; I156-L158 HydrophobicContact CG2-CD1 4.45Å; I156-L158 HydrophobicContact CG2-CG 4.39Å; I156-L158 PolarHBondContact O-N 2.71Å; I156-L158 VanDerWaalsContact O-N 3.16Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 2.76Å; L158-S160 VanDerWaalsContact O-N 3.14Å; L158-Y161 PolarHBondContact O-N 3.03Å; L158-L162 HydrophobicContact CB-CD1 4.23Å; L158-L162 PolarHBondContact O-N 2.87Å
159	G	57.6	Low	64.3	Low	20 Å²	20	64 Å²	64	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-47.9	-45.7	-167.3	0	0	0	0	0	114.7	I156 S157 E163	I156-G159 PolarHBondContact O-N 2.89Å; I156-G159 VanDerWaalsContact O-N 3.13Å; S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 2.8Å; G159-E163 WeakPolarHBondContact O-CA 3.43Å; G159-E163 WeakPolarHBondContact O-CB 3.41Å; G159-E163 PolarHBondContact O-N 3.18Å
160	S	62.5	Low	63.9	Low	88 Å²	88	64.4 Å²	64.4	62%	0.615	38%	0.378	S	S	*	.	H	α-helix	trans	-69.1	-38.6	-173.4	58.2	0	0	0	0	114.6	L158 S164	L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 2.76Å; L158-S160 VanDerWaalsContact O-N 3.14Å; S160-S164 WeakPolarHBondContact O-CB 3.47Å; S160-S164 PolarHBondContact O-N 2.96Å; S160-S164 PolarHBondContact O-OG 3.41Å
161	Y	64.1	Low	63.3	Low	137 Å²	137	61.3 Å²	61.3	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-72	-45.2	-179.9	-176.3	-106.7	0	0	0	111.1	L85 L158 S164 L165	L85-Y161 HydrophobicContact CD2-CD1 4.21Å; L85-Y161 HydrophobicContact CD2-CE1 3.83Å; L158-Y161 PolarHBondContact O-N 3.03Å; Y161-S164 PolarHBondContact O-N 3.46Å; Y161-L165 HydrophobicContact CD1-CD1 3.91Å; Y161-L165 HydrophobicContact CE1-CD1 3.41Å; Y161-L165 VanDerWaalsContact CE1-CD1 3.41Å; Y161-L165 HydrophobicContact CE1-CG 4.21Å; Y161-L165 WeakPolarHBondContact O-CG 3.46Å; Y161-L165 PolarHBondContact O-N 3.47Å
162	L	63.9	Low	63	Low	9 Å²	9	62 Å²	62	5%	0.047	37%	0.374	C	S	.	.	H	α-helix	trans	-66.3	-43.5	176.3	-68.5	174	0	0	0	111.5	V86 I89 I156 L158 S164 L165 M166	V86-L162 HydrophobicContact CG2-CD2 3.89Å; I89-L162 HydrophobicContact CD1-CD1 4Å; I89-L162 HydrophobicContact CD1-CD2 4.2Å; I156-L162 HydrophobicContact CB-CD1 4.47Å; I156-L162 HydrophobicContact CD1-CD1 3.49Å; I156-L162 VanDerWaalsContact CD1-CD1 3.49Å; I156-L162 HydrophobicContact CG2-CD1 4.27Å; L158-L162 HydrophobicContact CB-CD1 4.23Å; L158-L162 PolarHBondContact O-N 2.87Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.88Å; L162-L165 PolarHBondContact O-N 2.94Å; L162-M166 HydrophobicContact CB-CE 4.39Å; L162-M166 WeakPolarHBondContact O-CB 3.49Å; L162-M166 WeakPolarHBondContact O-CE 3.45Å; L162-M166 WeakPolarHBondContact O-CG 3.2Å; L162-M166 PolarHBondContact O-N 3.34Å
163	E	64.5	Low	62.7	Low	47 Å²	47	60 Å²	60	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-45.5	174.1	-177.5	179.7	-174.8	0	0	110.6	K23 V153 G159 M166 A167	K23-E163 WeakPolarHBondContact CE-OE1 3.46Å; K23-E163 IonicContact NZ-OE1 2.7Å; K23-E163 PolarHBondContact NZ-OE1 3.33Å; K23-E163 IonicContact NZ-OE2 3.59Å; V153-E163 HydrophobicContact CG2-CB 4.21Å; V153-E163 HydrophobicContact CG2-CG 4.41Å; G159-E163 WeakPolarHBondContact O-CA 3.43Å; G159-E163 WeakPolarHBondContact O-CB 3.41Å; G159-E163 PolarHBondContact O-N 3.18Å; E163-M166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.28Å; E163-A167 PolarHBondContact O-N 2.91Å
164	S	67	Low	62.4	Low	63 Å²	63	59.2 Å²	59.2	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-44.8	177.7	-60.5	0	0	0	0	112.4	S160 Y161 L162 N168	S160-S164 WeakPolarHBondContact O-CB 3.47Å; S160-S164 PolarHBondContact O-N 2.96Å; S160-S164 PolarHBondContact O-OG 3.41Å; Y161-S164 PolarHBondContact O-N 3.46Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.88Å; S164-N168 VanDerWaalsContact O-CB 3.29Å; S164-N168 WeakPolarHBondContact O-CB 3.36Å; S164-N168 PolarHBondContact O-N 3.42Å; S164-N168 PolarHBondContact O-ND2 3.41Å; S164-N168 VanDerWaalsContact O-ND2 3.15Å
165	L	66.6	Low	62.1	Low	43 Å²	43	59.9 Å²	59.9	23%	0.225	36%	0.362	C	S	.	.	H	α-helix	trans	-63.7	-42.3	178.4	-72.9	178	0	0	0	112.3	V86 Y161 L162 T169	V86-L165 HydrophobicContact CG2-CD1 4.45Å; Y161-L165 HydrophobicContact CD1-CD1 3.91Å; Y161-L165 HydrophobicContact CE1-CD1 3.41Å; Y161-L165 VanDerWaalsContact CE1-CD1 3.41Å; Y161-L165 HydrophobicContact CE1-CG 4.21Å; Y161-L165 WeakPolarHBondContact O-CG 3.46Å; Y161-L165 PolarHBondContact O-N 3.47Å; L162-L165 PolarHBondContact O-N 2.94Å; L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 PolarHBondContact O-N 3.12Å; L165-T169 PolarHBondContact O-OG1 3.06Å
166	M	63.9	Low	62.5	Low	33 Å²	33	58.9 Å²	58.9	16%	0.163	33%	0.333	C	S	.	.	H	α-helix	trans	-72.9	-41.7	179.6	-67.9	-174.5	-59.3	0	0	112.2	V125 V153 L162 E163 N168 T169 I170	V125-M166 HydrophobicContact CB-CE 4.09Å; V125-M166 HydrophobicContact CB-SD 4.01Å; V125-M166 HydrophobicContact CG1-CE 3.62Å; V125-M166 HydrophobicContact CG1-SD 3.68Å; V125-M166 HydrophobicContact CG2-CE 3.31Å; V125-M166 HydrophobicContact CG2-SD 3.42Å; V125-M166 WeakPolarHBondContact CG2-SD 3.32Å; V153-M166 HydrophobicContact CG2-CE 3.77Å; L162-M166 HydrophobicContact CB-CE 4.39Å; L162-M166 WeakPolarHBondContact O-CB 3.49Å; L162-M166 WeakPolarHBondContact O-CE 3.45Å; L162-M166 WeakPolarHBondContact O-CG 3.2Å; L162-M166 PolarHBondContact O-N 3.34Å; E163-M166 PolarHBondContact O-N 3.45Å; M166-N168 VanDerWaalsContact C-N 3.29Å; M166-N168 PolarHBondContact O-N 3.12Å; M166-T169 PolarHBondContact O-N 2.77Å; M166-I170 WeakPolarHBondContact O-CB 3.29Å; M166-I170 WeakPolarHBondContact O-CD1 3.37Å; M166-I170 VanDerWaalsContact O-CG1 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.49Å; M166-I170 PolarHBondContact O-N 3.18Å
167	A	64	Low	62.4	Low	6 Å²	6	57 Å²	57	5%	0.05	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-41	174.5	0	0	0	0	0	111.4	A22 I151 E163 S171	A22-A167 HydrophobicContact CB-CB 3.54Å; I151-A167 HydrophobicContact CD1-CB 4.07Å; E163-A167 WeakPolarHBondContact O-CB 3.28Å; E163-A167 PolarHBondContact O-N 2.91Å; A167-S171 WeakPolarHBondContact O-CB 3.42Å; A167-S171 PolarHBondContact O-N 3.05Å
168	N	64.9	Low	62.8	Low	107 Å²	107	54.8 Å²	54.8	57%	0.572	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-40.8	175	-74.7	-22.7	0	0	0	112.3	S164 M166 S172	S164-N168 VanDerWaalsContact O-CB 3.29Å; S164-N168 WeakPolarHBondContact O-CB 3.36Å; S164-N168 PolarHBondContact O-N 3.42Å; S164-N168 PolarHBondContact O-ND2 3.41Å; S164-N168 VanDerWaalsContact O-ND2 3.15Å; M166-N168 VanDerWaalsContact C-N 3.29Å; M166-N168 PolarHBondContact O-N 3.12Å; N168-S172 WeakPolarHBondContact O-CB 3.47Å; N168-S172 PolarHBondContact O-N 2.92Å
169	T	63.8	Low	62.9	Low	53 Å²	53	53.2 Å²	53.2	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-53.6	178	-57.6	0	0	0	0	110.1	W80 L165 M166 S171 S172 N173	W80-T169 HydrophobicContact CE3-CG2 3.76Å; W80-T169 HydrophobicContact CZ3-CG2 3.92Å; L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 PolarHBondContact O-N 3.12Å; L165-T169 PolarHBondContact O-OG1 3.06Å; M166-T169 PolarHBondContact O-N 2.77Å; T169-S171 VanDerWaalsContact C-N 3.32Å; T169-S171 PolarHBondContact O-N 3.44Å; T169-S172 WeakPolarHBondContact O-CA 3.15Å; T169-S172 WeakPolarHBondContact O-CB 3.49Å; T169-S172 PolarHBondContact O-N 2.86Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.29Å; T169-N173 PolarHBondContact O-ND2 3.02Å
170	I	64.9	Low	62.7	Low	34 Å²	34	53.8 Å²	53.8	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-45.5	178.7	-66.2	160.4	0	0	0	110.7	V127 I151 M166 S172 N173 A174	V127-I170 HydrophobicContact CB-CD1 4.42Å; V127-I170 HydrophobicContact CG1-CD1 3.89Å; V127-I170 HydrophobicContact CG2-CD1 3.6Å; I151-I170 HydrophobicContact CD1-CD1 3.6Å; I151-I170 HydrophobicContact CG1-CD1 3.93Å; M166-I170 WeakPolarHBondContact O-CB 3.29Å; M166-I170 WeakPolarHBondContact O-CD1 3.37Å; M166-I170 VanDerWaalsContact O-CG1 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.49Å; M166-I170 PolarHBondContact O-N 3.18Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.34Å; I170-N173 PolarHBondContact O-N 2.88Å; I170-N173 VanDerWaalsContact O-N 3.12Å; I170-A174 PolarHBondContact O-N 3.24Å
171	S	63.7	Low	62	Low	36 Å²	36	52.2 Å²	52.2	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-38.1	175.8	-177.4	0	0	0	0	112.6	A167 T169 N173 K175	A167-S171 WeakPolarHBondContact O-CB 3.42Å; A167-S171 PolarHBondContact O-N 3.05Å; T169-S171 VanDerWaalsContact C-N 3.32Å; T169-S171 PolarHBondContact O-N 3.44Å; S171-N173 VanDerWaalsContact C-N 3.34Å; S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.38Å
172	S	64.6	Low	61.9	Low	52 Å²	52	48 Å²	48	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-64.9	-38.5	174.5	-172.5	0	0	0	0	111.9	N168 T169 I170 K175 K176	N168-S172 WeakPolarHBondContact O-CB 3.47Å; N168-S172 PolarHBondContact O-N 2.92Å; T169-S172 WeakPolarHBondContact O-CA 3.15Å; T169-S172 WeakPolarHBondContact O-CB 3.49Å; T169-S172 PolarHBondContact O-N 2.86Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.34Å; S172-K175 PolarHBondContact O-N 2.84Å; S172-K176 WeakPolarHBondContact O-CG 3.28Å; S172-K176 PolarHBondContact O-N 2.83Å; S172-K176 VanDerWaalsContact O-N 3.13Å
173	N	63.3	Low	61.8	Low	20 Å²	20	50.1 Å²	50.1	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-75.1	-36.8	179.7	-54.6	-48.1	0	0	0	113.1	W80 T169 I170 S171 K175 K176 G177	W80-N173 HydrophobicContact CH2-CB 4.22Å; W80-N173 VanDerWaalsContact CH2-CG 3.44Å; W80-N173 WeakPolarHBondContact CH2-ND2 3.5Å; W80-N173 HydrophobicContact CZ3-CB 4.5Å; W80-N173 WeakPolarHBondContact CZ3-ND2 3.17Å; W80-N173 WeakPolarHBondContact CZ3-OD1 3.29Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.29Å; T169-N173 PolarHBondContact O-ND2 3.02Å; I170-N173 PolarHBondContact O-N 2.88Å; I170-N173 VanDerWaalsContact O-N 3.12Å; S171-N173 VanDerWaalsContact C-N 3.34Å; N173-K175 VanDerWaalsContact C-N 3.26Å; N173-K175 PolarHBondContact O-N 3.45Å; N173-K176 PolarHBondContact O-N 3.14Å; N173-G177 PolarHBondContact O-N 2.7Å
174	A	61.3	Low	61.7	Low	24 Å²	24	50.2 Å²	50.2	20%	0.198	29%	0.285	C	S	.	.	H	α-helix	trans	-54.5	-47.3	171.2	0	0	0	0	0	110.3	Q147 I170 K176 G177 W178	Q147-A174 VanDerWaalsContact NE2-CB 3.33Å; I170-A174 PolarHBondContact O-N 3.24Å; A174-K176 PolarHBondContact O-N 3.39Å; A174-G177 CarbonylContact O-C 3.52Å; A174-G177 WeakPolarHBondContact O-CA 2.97Å; A174-G177 PolarHBondContact O-N 3.34Å; A174-G177 VanDerWaalsContact O-N 3.08Å; A174-W178 PolarHBondContact O-N 3Å
175	K	60.6	Low	61.4	Low	128 Å²	128	49.5 Å²	49.5	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-43	176.2	-69.8	171.7	-176	177.6	0	113.4	S171 S172 N173 G177 W178 A179	S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.38Å; S172-K175 PolarHBondContact O-N 2.84Å; N173-K175 VanDerWaalsContact C-N 3.26Å; N173-K175 PolarHBondContact O-N 3.45Å; K175-G177 VanDerWaalsContact C-N 3.26Å; K175-G177 PolarHBondContact O-N 3Å; K175-W178 PolarHBondContact O-N 3.15Å; K175-A179 PolarHBondContact O-N 2.74Å; K175-A179 VanDerWaalsContact O-N 3.08Å
176	K	64.6	Low	61.1	Low	67 Å²	67	49.9 Å²	49.9	29%	0.291	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-35.9	174.7	-70.4	169.8	178.3	-179.5	0	111.5	M50 S172 N173 A174 A179 A180	M50-K176 WeakPolarHBondContact O-CD 3.49Å; S172-K176 WeakPolarHBondContact O-CG 3.28Å; S172-K176 PolarHBondContact O-N 2.83Å; S172-K176 VanDerWaalsContact O-N 3.13Å; N173-K176 PolarHBondContact O-N 3.14Å; A174-K176 PolarHBondContact O-N 3.39Å; K176-A179 PolarHBondContact O-N 3.3Å; K176-A180 PolarHBondContact O-N 3.13Å
177	G	56.2	Low	60.9	Low	5 Å²	5	51 Å²	51	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-37.9	176	0	0	0	0	0	112.7	K45 N173 A174 K175 A180	K45-G177 WeakPolarHBondContact CE-O 3.49Å; K45-G177 PolarHBondContact NZ-O 2.79Å; N173-G177 PolarHBondContact O-N 2.7Å; A174-G177 CarbonylContact O-C 3.52Å; A174-G177 WeakPolarHBondContact O-CA 2.97Å; A174-G177 PolarHBondContact O-N 3.34Å; A174-G177 VanDerWaalsContact O-N 3.08Å; K175-G177 VanDerWaalsContact C-N 3.26Å; K175-G177 PolarHBondContact O-N 3Å; G177-A180 WeakPolarHBondContact O-CB 3.34Å
178	W	61.3	Low	60.6	Low	87 Å²	87	54.2 Å²	54.2	33%	0.33	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-49.4	171.5	167.8	-100.4	0	0	0	111.6	E29 C31 L145 A174 K175 A180 I181	E29-W178 HydrophobicContact CB-CE3 4.49Å; E29-W178 HydrophobicContact CB-CH2 4.39Å; E29-W178 HydrophobicContact CB-CZ3 4.06Å; C31-W178 HydrophobicContact CB-CH2 4.37Å; C31-W178 WeakPolarHBondContact SG-CH2 3.15Å; C31-W178 WeakPolarHBondContact SG-CZ3 3.44Å; L145-W178 HydrophobicContact CD2-CE3 4.41Å; L145-W178 HydrophobicContact CD2-CZ3 4.48Å; A174-W178 PolarHBondContact O-N 3Å; K175-W178 PolarHBondContact O-N 3.15Å; W178-A180 PolarHBondContact O-N 3.16Å; W178-I181 PolarHBondContact O-N 3.49Å
179	A	58.1	Low	60.3	Low	59 Å²	59	50.2 Å²	50.2	49%	0.488	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.5	-179.2	0	0	0	0	0	114.8	M50 K175 K176	M50-A179 HydrophobicContact CE-CB 4.42Å; K175-A179 PolarHBondContact O-N 2.74Å; K175-A179 VanDerWaalsContact O-N 3.08Å; K176-A179 PolarHBondContact O-N 3.3Å
180	A	52	Low	60	Low	31 Å²	31	49.9 Å²	49.9	26%	0.256	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-19.8	179.7	0	0	0	0	0	114.5	K45 N48 K176 G177 W178	K45-A180 HydrophobicContact CD-CB 4.32Å; K45-A180 HydrophobicContact CG-CB 3.87Å; N48-A180 WeakPolarHBondContact ND2-CB 3.45Å; K176-A180 PolarHBondContact O-N 3.13Å; G177-A180 WeakPolarHBondContact O-CB 3.34Å; W178-A180 PolarHBondContact O-N 3.16Å
181	I	49.8	Very low	59.6	Low	56 Å²	56	51.4 Å²	51.4	29%	0.287	29%	0.289	S	S	.	.			trans	-104	0	-174.6	-61.1	174.1	0	0	0	107.6	V38 A41 A42 K45 W178	V38-I181 HydrophobicContact CG1-CG2 4.07Å; A41-I181 HydrophobicContact CB-CG2 4.22Å; A42-I181 HydrophobicContact CB-CD1 4.24Å; K45-I181 HydrophobicContact CD-CD1 4Å; K45-I181 HydrophobicContact CD-CG1 3.91Å; K45-I181 HydrophobicContact CG-CG1 4.49Å; W178-I181 PolarHBondContact O-N 3.49Å

Retrieved 181 of 181 residues in 62 ms (Link to these results)

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