A0A096NS15_PAPAN Loading...

Cytochrome b5 type B

Cytochrome b5 is a membrane-bound hemoprotein functioning as an electron carrier for several membrane-bound oxygenases.

AlphaFold DB , UniProt , Accession A0A096NS15, Species PAPAN (Papio anubis, Olive baboon), Gene CYB5B, Length 150 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.7	Low	47.7	Very low	238 Å²	238	133.4 Å²	133.4	100%	1.172	86%	0.861	S	S	*	*				0	135.8	0	-85.1	142.6	76.8	0	0	108.3
2	S	50.7	Low	47.9	Very low	124 Å²	124	128.2 Å²	128.2	87%	0.867	85%	0.851	S	S	*	*			trans	67.2	111.7	173.7	-60.2	0	0	0	0	115.4
3	G	43.9	Very low	47.3	Very low	71 Å²	71	127.5 Å²	127.5	73%	0.732	85%	0.849	S	S	*	*			cis	90.3	98.7	26	0	0	0	0	0	109.6
4	S	54.4	Low	47.3	Very low	131 Å²	131	129.6 Å²	129.6	92%	0.916	85%	0.848	S	S	*	*			trans	-144.5	96.7	163.7	-73.9	0	0	0	0	107.5
5	M	47.7	Very low	47.3	Very low	190 Å²	190	126.3 Å²	126.3	94%	0.936	85%	0.848	S	S	*	*			trans	-79.6	140.9	177.4	-77.8	174.3	170.9	0	0	110
6	A	51.6	Low	46.5	Very low	86 Å²	86	130.5 Å²	130.5	71%	0.711	85%	0.847	S	S	*	*			trans	-65	150	156.8	0	0	0	0	0	110.5
7	T	41.4	Very low	46.4	Very low	130 Å²	130	127.2 Å²	127.2	80%	0.798	84%	0.842	S	S	*	*				-172.7	136.5	114.8	43.4	0	0	0	0	110
8	A	50.1	Low	46	Very low	99 Å²	99	130.4 Å²	130.4	82%	0.818	84%	0.843	S	S	*	*			trans	-114.2	125.3	162.3	0	0	0	0	0	106.2
9	E	41.3	Very low	46.4	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	85%	0.847	S	S	*	*			trans	-158.6	109.3	158.6	47.8	-157.7	102.5	0	0	109.2
10	A	50	Low	46.9	Very low	109 Å²	109	132.8 Å²	132.8	90%	0.901	84%	0.839	S	S	*	*			trans	-81.3	127.3	161.8	0	0	0	0	0	107.6
11	S	42.5	Very low	47.3	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	84%	0.84	S	S	*	*			trans	-141.3	114.9	162.1	-171.7	0	0	0	0	108.1
12	G	49.3	Very low	47.8	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	81%	0.812	S	S	*	*			trans	-62.5	156.7	173.3	0	0	0	0	0	111.6
13	S	40.8	Very low	49.1	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	81%	0.806	S	S	*	*			trans	-148	99.6	154.7	-165	0	0	0	0	107	G15	S13-G15 PolarHBondContact O-N 2.72Å
14	D	47.3	Very low	51.3	Low	157 Å²	157	126.4 Å²	126.4	84%	0.84	79%	0.785	S	S	*	*			trans	-47.5	104.7	163	-85.9	-101.5	0	0	0	109.5	K16	D14-K16 PolarHBondContact O-N 2.73Å
15	G	47.2	Very low	53.2	Low	81 Å²	81	123.6 Å²	123.6	84%	0.835	76%	0.762	S	S	*	*			trans	-69.6	81.5	167.8	0	0	0	0	0	109.5	S13 G17	S13-G15 PolarHBondContact O-N 2.72Å; G15-G17 PolarHBondContact O-N 3.13Å
16	K	34.4	Very low	55.5	Low	193 Å²	193	120.8 Å²	120.8	84%	0.839	74%	0.742	S	S	*	*			trans	-60.1	100.4	171.2	-152.2	-178.1	-174.3	-171.2	0	108	D14 Q18	D14-K16 PolarHBondContact O-N 2.73Å; K16-Q18 PolarHBondContact O-N 3.45Å
17	G	44.4	Very low	57.6	Low	74 Å²	74	118.5 Å²	118.5	76%	0.763	72%	0.715	S	S	*	*			trans	-55.3	110.9	171.2	0	0	0	0	0	108.8	G15 E19	G15-G17 PolarHBondContact O-N 3.13Å; G17-E19 PolarHBondContact O-N 3.12Å; G17-E19 VanDerWaalsContact O-N 3.09Å
18	Q	39.4	Very low	60.1	Low	185 Å²	185	116.6 Å²	116.6	86%	0.864	69%	0.693	S	S	*	*			trans	-70.4	104	172.1	-75.2	177.6	-88.2	0	0	107.4	K16 V20	K16-Q18 PolarHBondContact O-N 3.45Å; Q18-V20 PolarHBondContact O-N 3.29Å
19	E	53	Low	62.1	Low	195 Å²	195	115 Å²	115	91%	0.911	67%	0.671	S	S	*	*			trans	-56.4	104.7	158.7	-136.6	178	179.5	0	0	106.5	G17 E21	G17-E19 PolarHBondContact O-N 3.12Å; G17-E19 VanDerWaalsContact O-N 3.09Å; E19-E21 PolarHBondContact O-N 2.99Å; E19-E21 VanDerWaalsContact O-N 3.12Å
20	V	57.2	Low	64.6	Low	114 Å²	114	112.2 Å²	112.2	69%	0.691	66%	0.658	S	S	*	*			trans	-71.7	105.2	170.9	-177.3	0	0	0	0	105.1	Q18 T22	Q18-V20 PolarHBondContact O-N 3.29Å; V20-T22 HydrophobicContact CB-CG2 4.41Å; V20-T22 HydrophobicContact CG1-CG2 3.61Å; V20-T22 PolarHBondContact O-N 2.89Å
21	E	55.1	Low	66.7	Low	182 Å²	182	110.4 Å²	110.4	85%	0.85	63%	0.631	S	S	*	*			trans	-68.1	81.6	167.6	-156.2	-134.5	179.2	0	0	107.5	E19 S23	E19-E21 PolarHBondContact O-N 2.99Å; E19-E21 VanDerWaalsContact O-N 3.12Å; E21-S23 PolarHBondContact O-N 3.05Å
22	T	61.4	Low	69.2	Low	98 Å²	98	104.8 Å²	104.8	60%	0.601	59%	0.591	S	S	*	*			trans	-75.6	105.4	169.5	47.1	0	0	0	0	106.6	V20 V24	V20-T22 HydrophobicContact CB-CG2 4.41Å; V20-T22 HydrophobicContact CG1-CG2 3.61Å; V20-T22 PolarHBondContact O-N 2.89Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 2.7Å
23	S	79.1	Confident	71.4	Confident	105 Å²	105	103.7 Å²	103.7	73%	0.734	58%	0.575	S	S	*	*			trans	-57.7	98.9	164.9	56.8	0	0	0	0	108.2	E21 T25	E21-S23 PolarHBondContact O-N 3.05Å; S23-T25 PolarHBondContact O-N 3.42Å
24	V	88.8	Confident	73.9	Confident	46 Å²	46	105.3 Å²	105.3	28%	0.279	57%	0.567	S	S	.	*			trans	-72.8	122.9	178.2	173.9	0	0	0	0	108.4	T22 Y26 D98	T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 2.7Å; V24-Y26 HydrophobicContact CB-CE2 4.46Å; V24-Y26 HydrophobicContact CG1-CE1 4.32Å; V24-Y26 HydrophobicContact CG1-CE2 4.33Å; V24-D98 HydrophobicContact CG1-CB 3.79Å; V24-D98 WeakPolarHBondContact CG1-OD2 3.41Å
25	T	94.9	Very high	76.2	Confident	72 Å²	72	101 Å²	101	44%	0.442	54%	0.539	S	S	.	.			trans	-76.9	134.2	170.1	-54.5	0	0	0	0	108.9	S23 Y27 G97 D98	S23-T25 PolarHBondContact O-N 3.42Å; T25-Y27 HydrophobicContact CG2-CD2 4.43Å; T25-Y27 HydrophobicContact CG2-CE1 4.2Å; T25-Y27 HydrophobicContact CG2-CE2 3.74Å; T25-G97 CarbonylContact O-C 3.5Å; T25-G97 WeakPolarHBondContact O-CA 3.39Å; T25-D98 PolarHBondContact O-N 3.09Å
26	Y	95.3	Very high	78.3	Confident	131 Å²	131	101.7 Å²	101.7	51%	0.514	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.9	176.2	-70.1	-80.6	0	0	0	111.4	V24 D98	V24-Y26 HydrophobicContact CB-CE2 4.46Å; V24-Y26 HydrophobicContact CG1-CE1 4.32Å; V24-Y26 HydrophobicContact CG1-CE2 4.33Å; Y26-D98 CarbonylContact C-O 3.48Å; Y26-D98 VanDerWaalsContact CA-O 3.27Å; Y26-D98 WeakPolarHBondContact CA-O 3.27Å; Y26-D98 HydrophobicContact CD1-CB 4.04Å; Y26-D98 HydrophobicContact CE1-CB 3.94Å
27	Y	95.7	Very high	81.1	Confident	39 Å²	39	94.7 Å²	94.7	15%	0.153	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.7	177.9	-64.1	-79.7	0	0	0	111.4	T25 W42 V49 I96 D98 I99 H100	T25-Y27 HydrophobicContact CG2-CD2 4.43Å; T25-Y27 HydrophobicContact CG2-CE1 4.2Å; T25-Y27 HydrophobicContact CG2-CE2 3.74Å; Y27-W42 HydrophobicContact CD1-CH2 4.21Å; Y27-W42 AromaticContact CD1-CZ3 3.8Å; Y27-W42 HydrophobicContact CD1-CZ3 3.8Å; Y27-W42 AromaticContact CE1-CH2 3.8Å; Y27-W42 HydrophobicContact CE1-CH2 3.8Å; Y27-W42 AromaticContact CE1-CZ3 3.87Å; Y27-W42 HydrophobicContact CE1-CZ3 3.87Å; Y27-W42 HydrophobicContact CG-CZ3 4.4Å; Y27-V49 HydrophobicContact CD2-CB 4.16Å; Y27-V49 HydrophobicContact CD2-CG1 4.45Å; Y27-V49 HydrophobicContact CD2-CG2 4.07Å; Y27-V49 HydrophobicContact CG-CG2 4.47Å; Y27-I96 HydrophobicContact CE2-CB 4.37Å; Y27-I96 HydrophobicContact CE2-CD1 3.98Å; Y27-I96 HydrophobicContact CE2-CG1 3.93Å; Y27-D98 PolarHBondContact N-O 2.89Å; Y27-I99 CarbonylContact O-C 3.53Å; Y27-I99 WeakPolarHBondContact O-CA 3.39Å; Y27-H100 PolarHBondContact O-N 3.41Å
28	R	95.2	Very high	83.3	Confident	90 Å²	90	95.9 Å²	95.9	34%	0.34	49%	0.488	S	S	.	.			trans	-85.3	147.2	173.9	-61.6	-80	-69	153	10.7	109.7	E30 E31 V32 D103	R28-E30 HydrophobicContact CB-CG 3.76Å; R28-E30 IonicContact CZ-OE1 3.73Å; R28-E30 IonicContact NE-OE1 3.04Å; R28-E30 PolarHBondContact NE-OE1 3.04Å; R28-E30 IonicContact NH2-OE1 3.53Å; R28-E30 PolarHBondContact O-N 3.31Å; R28-E31 HydrophobicContact CB-CB 4.45Å; R28-E31 WeakPolarHBondContact O-CB 3.41Å; R28-E31 PolarHBondContact O-N 2.8Å; R28-V32 PolarHBondContact O-N 3.36Å; R28-V32 VanDerWaalsContact O-N 3.16Å; R28-D103 WeakPolarHBondContact CA-OD2 3.39Å; R28-D103 IonicContact CZ-OD1 3.28Å; R28-D103 VanDerWaalsContact CZ-OD1 3.28Å; R28-D103 IonicContact CZ-OD2 3.26Å; R28-D103 VanDerWaalsContact CZ-OD2 3.26Å; R28-D103 IonicContact NE-OD2 3.54Å; R28-D103 IonicContact NH1-OD1 2.7Å; R28-D103 PolarHBondContact NH1-OD1 2.99Å; R28-D103 IonicContact NH1-OD2 3.05Å; R28-D103 PolarHBondContact NH1-OD2 2.95Å; R28-D103 IonicContact NH2-OD1 3.42Å; R28-D103 PolarHBondContact NH2-OD1 2.94Å; R28-D103 IonicContact NH2-OD2 3.86Å
29	L	92.5	Very high	85.7	Confident	66 Å²	66	95.6 Å²	95.6	35%	0.346	48%	0.484	S	S	.	.	H	α-helix	trans	-58.4	-34.8	175.8	-82.7	176	0	0	0	112.2	E31 V32 A33 V44 I99 D103	L29-E31 PolarHBondContact O-N 2.77Å; L29-V32 PolarHBondContact O-N 3.24Å; L29-A33 WeakPolarHBondContact O-CB 3.44Å; L29-A33 PolarHBondContact O-N 2.8Å; L29-V44 HydrophobicContact CD2-CG2 4.27Å; L29-I99 HydrophobicContact CD2-CD1 3.89Å; L29-I99 HydrophobicContact CD2-CG1 4.37Å; L29-I99 HydrophobicContact CG-CD1 4.3Å; L29-I99 HydrophobicContact CG-CG2 4.28Å; L29-D103 HydrophobicContact CB-CB 4.31Å; L29-D103 HydrophobicContact CD1-CB 3.85Å; L29-D103 HydrophobicContact CG-CB 3.85Å; L29-D103 PolarHBondContact N-OD2 3.32Å
30	E	93.8	Very high	87.6	Confident	111 Å²	111	90.7 Å²	90.7	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-25.5	176.3	72.2	-161.5	139.5	0	0	113.8	R28 K34	R28-E30 HydrophobicContact CB-CG 3.76Å; R28-E30 IonicContact CZ-OE1 3.73Å; R28-E30 IonicContact NE-OE1 3.04Å; R28-E30 PolarHBondContact NE-OE1 3.04Å; R28-E30 IonicContact NH2-OE1 3.53Å; R28-E30 PolarHBondContact O-N 3.31Å; E30-K34 WeakPolarHBondContact O-CE 3.41Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å
31	E	94.5	Very high	89.4	Confident	72 Å²	72	85.2 Å²	85.2	34%	0.336	43%	0.428	S	S	.	.	H	α-helix	trans	-80.1	-45.7	175.5	-176.9	175	-176.1	0	0	110.3	R28 L29 A33 K34 W42	R28-E31 HydrophobicContact CB-CB 4.45Å; R28-E31 WeakPolarHBondContact O-CB 3.41Å; R28-E31 PolarHBondContact O-N 2.8Å; L29-E31 PolarHBondContact O-N 2.77Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 2.83Å; E31-K34 WeakPolarHBondContact O-CB 3.46Å; E31-K34 PolarHBondContact O-N 2.81Å; E31-K34 VanDerWaalsContact O-N 3.13Å; E31-W42 HydrophobicContact CG-CZ3 4.39Å
32	V	94.7	Very high	91.4	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-41.3	176.1	-177.1	0	0	0	0	110.9	R28 L29 K34 R35 W42 V44 V49 G71 I99	R28-V32 PolarHBondContact O-N 3.36Å; R28-V32 VanDerWaalsContact O-N 3.16Å; L29-V32 PolarHBondContact O-N 3.24Å; V32-K34 PolarHBondContact O-N 2.79Å; V32-K34 VanDerWaalsContact O-N 3.09Å; V32-R35 WeakPolarHBondContact O-CB 3.4Å; V32-R35 PolarHBondContact O-N 3.35Å; V32-W42 HydrophobicContact CG1-CB 4Å; V32-W42 HydrophobicContact CG2-CE3 4.18Å; V32-V44 HydrophobicContact CB-CG2 4.48Å; V32-V44 HydrophobicContact CG1-CG2 3.83Å; V32-V44 HydrophobicContact CG2-CG2 4.45Å; V32-V49 HydrophobicContact CG2-CG1 3.94Å; V32-V49 HydrophobicContact CG2-CG2 4.15Å; V32-G71 VanDerWaalsContact O-CA 3.26Å; V32-G71 WeakPolarHBondContact O-CA 3.4Å; V32-I99 HydrophobicContact CG2-CD1 3.78Å
33	A	93.8	Very high	93.1	Very high	47 Å²	47	73 Å²	73	39%	0.388	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.9	177.5	0	0	0	0	0	114.6	L29 E31 R35 G71	L29-A33 WeakPolarHBondContact O-CB 3.44Å; L29-A33 PolarHBondContact O-N 2.8Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 2.83Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-G71 VanDerWaalsContact CA-O 3.26Å; A33-G71 WeakPolarHBondContact CA-O 3.39Å; A33-G71 PolarHBondContact N-O 3.33Å
34	K	95.2	Very high	93.9	Very high	154 Å²	154	68 Å²	68	67%	0.67	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.9	175.5	-66	167.6	-172.7	169.3	0	112.5	E30 E31 V32 N36	E30-K34 WeakPolarHBondContact O-CE 3.41Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å; E31-K34 WeakPolarHBondContact O-CB 3.46Å; E31-K34 PolarHBondContact O-N 2.81Å; E31-K34 VanDerWaalsContact O-N 3.13Å; V32-K34 PolarHBondContact O-N 2.79Å; V32-K34 VanDerWaalsContact O-N 3.09Å; K34-N36 PolarHBondContact O-N 3.41Å
35	R	94.3	Very high	94.2	Very high	65 Å²	65	66.1 Å²	66.1	25%	0.245	32%	0.316	C	S	.	.			trans	-100.1	65	-177.3	-53.4	-53.3	-170.1	111.6	-6.7	110.1	V32 A33 E40 W42	V32-R35 WeakPolarHBondContact O-CB 3.4Å; V32-R35 PolarHBondContact O-N 3.35Å; A33-R35 VanDerWaalsContact C-N 3.3Å; R35-E40 CarbonylContact C-O 2.99Å; R35-E40 WeakPolarHBondContact CA-O 3.45Å; R35-E40 IonicContact CZ-OE1 3.49Å; R35-E40 IonicContact NH1-OE1 2.68Å; R35-E40 PolarHBondContact NH1-OE1 3.05Å; R35-W42 HydrophobicContact CB-CB 3.86Å; R35-W42 HydrophobicContact CB-CD2 3.81Å; R35-W42 HydrophobicContact CB-CE3 4.19Å; R35-W42 HydrophobicContact CB-CG 3.65Å; R35-W42 HydrophobicContact CG-CD2 3.59Å; R35-W42 HydrophobicContact CG-CE3 3.66Å; R35-W42 HydrophobicContact CG-CG 4.01Å; R35-W42 HydrophobicContact CG-CH2 4.39Å; R35-W42 HydrophobicContact CG-CZ2 4.33Å; R35-W42 HydrophobicContact CG-CZ3 4.07Å; R35-W42 PolarHBondContact O-N 3.02Å
36	N	92.8	Very high	94.2	Very high	96 Å²	96	66.6 Å²	66.6	51%	0.513	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	30.5	-173.5	68.8	-6.8	0	0	0	113.6	K34 E40 A70	K34-N36 PolarHBondContact O-N 3.41Å; N36-E40 PolarHBondContact N-O 3.2Å; N36-A70 HydrophobicContact CB-CB 4.03Å
37	S	91.8	Very high	94.1	Very high	47 Å²	47	60.9 Å²	60.9	33%	0.329	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.7	-174.2	75.3	0	0	0	0	112.2	K39 E40 L41	S37-K39 PolarHBondContact O-N 2.82Å; S37-E40 PolarHBondContact N-O 3.07Å; S37-E40 VanDerWaalsContact N-O 3.08Å; S37-E40 CarbonylContact O-C 3.09Å; S37-E40 PolarHBondContact O-N 2.91Å; S37-E40 PolarHBondContact OG-N 3.32Å; S37-L41 WeakPolarHBondContact O-CB 3.38Å; S37-L41 PolarHBondContact O-N 3.35Å
38	L	90.8	Very high	94.1	Very high	98 Å²	98	64.9 Å²	64.9	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-22.8	176.3	-75.6	170.7	0	0	0	114.9	L56 L67	L38-L56 HydrophobicContact CD2-CD1 4.16Å; L38-L56 WeakPolarHBondContact O-CD1 3.24Å; L38-L67 HydrophobicContact CD2-CD1 3.69Å; L38-L67 HydrophobicContact CD2-CD2 3.89Å; L38-L67 HydrophobicContact CD2-CG 4.2Å; L38-L67 HydrophobicContact CG-CD1 4.31Å; L38-L67 HydrophobicContact CG-CD2 4Å
39	K	90.6	Very high	94.2	Very high	180 Å²	180	60.6 Å²	60.6	78%	0.783	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-20.2	-178.8	-65.5	-177.9	179.8	179.6	0	113.3	S37 T53	S37-K39 PolarHBondContact O-N 2.82Å; K39-T53 VanDerWaalsContact C-CG2 3.48Å; K39-T53 WeakPolarHBondContact O-CG2 3.36Å
40	E	92.4	Very high	94.4	Very high	91 Å²	91	58.1 Å²	58.1	43%	0.425	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	92.5	-176.3	-62.6	-174.7	109.4	0	0	106.9	R35 N36 S37	R35-E40 CarbonylContact C-O 2.99Å; R35-E40 WeakPolarHBondContact CA-O 3.45Å; R35-E40 IonicContact CZ-OE1 3.49Å; R35-E40 IonicContact NH1-OE1 2.68Å; R35-E40 PolarHBondContact NH1-OE1 3.05Å; N36-E40 PolarHBondContact N-O 3.2Å; S37-E40 PolarHBondContact N-O 3.07Å; S37-E40 VanDerWaalsContact N-O 3.08Å; S37-E40 CarbonylContact O-C 3.09Å; S37-E40 PolarHBondContact O-N 2.91Å; S37-E40 PolarHBondContact OG-N 3.32Å
41	L	95.2	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.6	-174.3	-164.4	138.9	0	0	0	110.6	S37 L43 V52 T53 L56 L66 L67 A70	S37-L41 WeakPolarHBondContact O-CB 3.38Å; S37-L41 PolarHBondContact O-N 3.35Å; L41-L43 HydrophobicContact CD2-CD1 4.25Å; L41-L43 HydrophobicContact CD2-CD2 4.04Å; L41-L43 HydrophobicContact CD2-CG 3.92Å; L41-V52 HydrophobicContact CD2-CG2 3.24Å; L41-V52 PolarHBondContact O-N 3.43Å; L41-T53 PolarHBondContact N-OG1 2.76Å; L41-L56 HydrophobicContact CB-CD1 4.42Å; L41-L56 HydrophobicContact CD1-CD1 4.47Å; L41-L56 HydrophobicContact CD1-CD2 3.66Å; L41-L56 HydrophobicContact CD2-CD2 4.27Å; L41-L56 HydrophobicContact CG-CD2 4.34Å; L41-L66 HydrophobicContact CD2-CB 4.29Å; L41-L67 HydrophobicContact CD1-CD2 3.52Å; L41-L67 HydrophobicContact CD1-CG 3.98Å; L41-A70 HydrophobicContact CD1-CB 3.61Å; L41-A70 HydrophobicContact CD2-CB 4.21Å; L41-A70 HydrophobicContact CG-CB 3.64Å
42	W	97.1	Very high	94.6	Very high	15 Å²	15	52 Å²	52	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.1	177.7	-64.4	-1.2	0	0	0	110.9	Y27 E31 V32 R35 V49 Y50 D51 G71 I96	Y27-W42 HydrophobicContact CD1-CH2 4.21Å; Y27-W42 AromaticContact CD1-CZ3 3.8Å; Y27-W42 HydrophobicContact CD1-CZ3 3.8Å; Y27-W42 AromaticContact CE1-CH2 3.8Å; Y27-W42 HydrophobicContact CE1-CH2 3.8Å; Y27-W42 AromaticContact CE1-CZ3 3.87Å; Y27-W42 HydrophobicContact CE1-CZ3 3.87Å; Y27-W42 HydrophobicContact CG-CZ3 4.4Å; E31-W42 HydrophobicContact CG-CZ3 4.39Å; V32-W42 HydrophobicContact CG1-CB 4Å; V32-W42 HydrophobicContact CG2-CE3 4.18Å; R35-W42 HydrophobicContact CB-CB 3.86Å; R35-W42 HydrophobicContact CB-CD2 3.81Å; R35-W42 HydrophobicContact CB-CE3 4.19Å; R35-W42 HydrophobicContact CB-CG 3.65Å; R35-W42 HydrophobicContact CG-CD2 3.59Å; R35-W42 HydrophobicContact CG-CE3 3.66Å; R35-W42 HydrophobicContact CG-CG 4.01Å; R35-W42 HydrophobicContact CG-CH2 4.39Å; R35-W42 HydrophobicContact CG-CZ2 4.33Å; R35-W42 HydrophobicContact CG-CZ3 4.07Å; R35-W42 PolarHBondContact O-N 3.02Å; W42-V49 HydrophobicContact CB-CG1 4.4Å; W42-V49 HydrophobicContact CD2-CG1 4.44Å; W42-V49 HydrophobicContact CE3-CG1 4.02Å; W42-Y50 VanDerWaalsContact CA-O 3.25Å; W42-Y50 WeakPolarHBondContact CA-O 3.32Å; W42-D51 VanDerWaalsContact NE1-CG 3.32Å; W42-D51 PolarHBondContact NE1-OD2 2.86Å; W42-G71 PolarHBondContact O-N 3.17Å; W42-I96 HydrophobicContact CD2-CD1 3.75Å; W42-I96 HydrophobicContact CE3-CD1 3.93Å; W42-I96 HydrophobicContact CG-CD1 4.41Å; W42-I96 HydrophobicContact CH2-CD1 3.86Å; W42-I96 HydrophobicContact CZ2-CD1 3.66Å; W42-I96 HydrophobicContact CZ3-CD1 3.99Å
43	L	95.9	Very high	94.6	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.1	178.5	-59.8	171.3	0	0	0	109.1	L41 V49 Y50 V52 L66 Q69 A74	L41-L43 HydrophobicContact CD2-CD1 4.25Å; L41-L43 HydrophobicContact CD2-CD2 4.04Å; L41-L43 HydrophobicContact CD2-CG 3.92Å; L43-V49 WeakPolarHBondContact O-CA 3.41Å; L43-Y50 PolarHBondContact N-O 3.12Å; L43-Y50 PolarHBondContact O-N 2.81Å; L43-V52 HydrophobicContact CD1-CB 4.48Å; L43-V52 HydrophobicContact CD1-CG1 4.24Å; L43-V52 HydrophobicContact CD1-CG2 3.51Å; L43-V52 HydrophobicContact CG-CG2 3.91Å; L43-L66 HydrophobicContact CD1-CD2 3.94Å; L43-Q69 VanDerWaalsContact CD2-C 3.44Å; L43-Q69 HydrophobicContact CD2-CB 3.91Å; L43-Q69 WeakPolarHBondContact CD2-O 3.41Å; L43-A74 HydrophobicContact CD2-CB 4.39Å
44	V	96.7	Very high	94.5	Very high	2 Å²	2	62 Å²	62	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.3	167.8	-174.5	0	0	0	0	108.8	L29 V32 R48 V49 V72 D73 A74 I99	L29-V44 HydrophobicContact CD2-CG2 4.27Å; V32-V44 HydrophobicContact CB-CG2 4.48Å; V32-V44 HydrophobicContact CG1-CG2 3.83Å; V32-V44 HydrophobicContact CG2-CG2 4.45Å; V44-R48 CarbonylContact C-O 3.51Å; V44-R48 VanDerWaalsContact CA-O 3.24Å; V44-R48 WeakPolarHBondContact CA-O 3.46Å; V44-V49 HydrophobicContact CG2-CG2 4.42Å; V44-V72 PolarHBondContact N-O 3.03Å; V44-V72 VanDerWaalsContact N-O 3.09Å; V44-D73 HydrophobicContact CB-CB 4.37Å; V44-A74 PolarHBondContact O-N 3.3Å; V44-I99 HydrophobicContact CB-CG1 4.49Å; V44-I99 HydrophobicContact CG1-CG1 3.7Å; V44-I99 HydrophobicContact CG2-CD1 3.82Å; V44-I99 HydrophobicContact CG2-CG1 3.92Å
45	I	95.6	Very high	94.5	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	119.4	174.3	-58.7	167.3	0	0	0	108.2	G47 R48 Y50 A74 S75 F78 L91	I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 2.99Å; I45-R48 PolarHBondContact N-O 3.03Å; I45-R48 WeakPolarHBondContact O-CB 3.17Å; I45-R48 PolarHBondContact O-N 3.09Å; I45-R48 VanDerWaalsContact O-N 3.09Å; I45-Y50 HydrophobicContact CB-CD2 4.13Å; I45-Y50 HydrophobicContact CB-CE2 3.67Å; I45-Y50 HydrophobicContact CD1-CD2 4.36Å; I45-Y50 HydrophobicContact CG1-CD2 4.37Å; I45-Y50 HydrophobicContact CG1-CE2 4.39Å; I45-A74 HydrophobicContact CG1-CB 4.42Å; I45-S75 WeakPolarHBondContact CA-OG 3.04Å; I45-F78 HydrophobicContact CD1-CB 4.35Å; I45-F78 HydrophobicContact CD1-CD2 3.82Å; I45-F78 HydrophobicContact CD1-CE2 4.32Å; I45-F78 HydrophobicContact CD1-CG 4.07Å; I45-F78 HydrophobicContact CG1-CB 4.49Å; I45-F78 HydrophobicContact CG2-CB 4.38Å; I45-F78 HydrophobicContact CG2-CD1 3.98Å; I45-F78 HydrophobicContact CG2-CG 4.15Å; I45-L91 HydrophobicContact CD1-CD1 4.04Å; I45-L91 HydrophobicContact CD1-CD2 3.72Å; I45-L91 HydrophobicContact CG2-CD2 4.41Å
46	H	94.3	Very high	94.3	Very high	82 Å²	82	53.2 Å²	53.2	38%	0.38	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	47.8	-178.1	-56.9	-54.5	0	0	0	112.5	R48 S75 E79	H46-R48 PolarHBondContact O-N 3.4Å; H46-S75 PolarHBondContact N-OG 3.36Å; H46-E79 IonicContact CD2-OE1 3.93Å; H46-E79 IonicContact CE1-OE1 3.52Å; H46-E79 IonicContact NE2-OE1 2.79Å; H46-E79 PolarHBondContact NE2-OE1 2.87Å
47	G	93.3	Very high	94.3	Very high	11 Å²	11	55 Å²	55	11%	0.113	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	1.6	-180	0	0	0	0	0	115.5	I45 I99	I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 2.99Å; G47-I99 PolarHBondContact O-N 3.03Å
48	R	95.8	Very high	94.3	Very high	123 Å²	123	59.4 Å²	59.4	46%	0.464	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	145.8	179	-50.7	-167.2	-158.8	-174	-1.4	111.2	V44 I45 H46 Y50 Y95 D98	V44-R48 CarbonylContact C-O 3.51Å; V44-R48 VanDerWaalsContact CA-O 3.24Å; V44-R48 WeakPolarHBondContact CA-O 3.46Å; I45-R48 PolarHBondContact N-O 3.03Å; I45-R48 WeakPolarHBondContact O-CB 3.17Å; I45-R48 PolarHBondContact O-N 3.09Å; I45-R48 VanDerWaalsContact O-N 3.09Å; H46-R48 PolarHBondContact O-N 3.4Å; R48-Y50 HydrophobicContact CB-CE2 3.59Å; R48-Y50 WeakPolarHBondContact O-CD2 3.39Å; R48-Y50 VanDerWaalsContact O-CE2 3.29Å; R48-Y50 WeakPolarHBondContact O-CE2 3.26Å; R48-Y95 HydrophobicContact CB-CD2 4.07Å; R48-Y95 HydrophobicContact CB-CE2 3.91Å; R48-Y95 HydrophobicContact CG-CE2 4.28Å; R48-D98 WeakPolarHBondContact CG-OD1 3.29Å
49	V	96.7	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.8	-178	-168.4	0	0	0	0	110.2	Y27 V32 W42 L43 V44 I96 G97 I99	Y27-V49 HydrophobicContact CD2-CB 4.16Å; Y27-V49 HydrophobicContact CD2-CG1 4.45Å; Y27-V49 HydrophobicContact CD2-CG2 4.07Å; Y27-V49 HydrophobicContact CG-CG2 4.47Å; V32-V49 HydrophobicContact CG2-CG1 3.94Å; V32-V49 HydrophobicContact CG2-CG2 4.15Å; W42-V49 HydrophobicContact CB-CG1 4.4Å; W42-V49 HydrophobicContact CD2-CG1 4.44Å; W42-V49 HydrophobicContact CE3-CG1 4.02Å; L43-V49 WeakPolarHBondContact O-CA 3.41Å; V44-V49 HydrophobicContact CG2-CG2 4.42Å; V49-I96 HydrophobicContact CB-CD1 4.49Å; V49-I96 HydrophobicContact CB-CG1 4.07Å; V49-I96 HydrophobicContact CG1-CD1 3.83Å; V49-I96 HydrophobicContact CG1-CG1 3.91Å; V49-I96 WeakPolarHBondContact O-CG1 3.42Å; V49-I96 PolarHBondContact O-N 3.09Å; V49-G97 PolarHBondContact N-O 3.44Å; V49-I99 HydrophobicContact CG2-CD1 3.53Å; V49-I99 HydrophobicContact CG2-CG1 3.75Å
50	Y	96.8	Very high	94.6	Very high	14 Å²	14	53.4 Å²	53.4	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.2	-178.9	-56.1	-91	0	0	0	110.9	W42 L43 I45 R48 L91 Y94 Y95	W42-Y50 VanDerWaalsContact CA-O 3.25Å; W42-Y50 WeakPolarHBondContact CA-O 3.32Å; L43-Y50 PolarHBondContact N-O 3.12Å; L43-Y50 PolarHBondContact O-N 2.81Å; I45-Y50 HydrophobicContact CB-CD2 4.13Å; I45-Y50 HydrophobicContact CB-CE2 3.67Å; I45-Y50 HydrophobicContact CD1-CD2 4.36Å; I45-Y50 HydrophobicContact CG1-CD2 4.37Å; I45-Y50 HydrophobicContact CG1-CE2 4.39Å; R48-Y50 HydrophobicContact CB-CE2 3.59Å; R48-Y50 WeakPolarHBondContact O-CD2 3.39Å; R48-Y50 VanDerWaalsContact O-CE2 3.29Å; R48-Y50 WeakPolarHBondContact O-CE2 3.26Å; Y50-L91 HydrophobicContact CD1-CD1 3.69Å; Y50-L91 HydrophobicContact CD1-CG 3.76Å; Y50-L91 VanDerWaalsContact CD1-O 3.31Å; Y50-L91 WeakPolarHBondContact CD1-O 3.26Å; Y50-L91 HydrophobicContact CD2-CD1 4.32Å; Y50-L91 HydrophobicContact CE1-CD1 4.08Å; Y50-L91 HydrophobicContact CE1-CD2 4.11Å; Y50-L91 HydrophobicContact CE1-CG 3.61Å; Y50-L91 HydrophobicContact CE2-CD2 4.3Å; Y50-L91 HydrophobicContact CG-CD1 3.82Å; Y50-L91 HydrophobicContact CG-CG 4.27Å; Y50-Y94 CarbonylContact C-O 3.54Å; Y50-Y94 VanDerWaalsContact CA-O 3.23Å; Y50-Y94 WeakPolarHBondContact CA-O 3.3Å; Y50-Y95 HydrophobicContact CE1-CD2 4.19Å
51	D	96.8	Very high	94.6	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	95.7	169.4	-173.2	-14.2	0	0	0	109.9	W42 T53 Y94 I96	W42-D51 VanDerWaalsContact NE1-CG 3.32Å; W42-D51 PolarHBondContact NE1-OD2 2.86Å; D51-T53 WeakPolarHBondContact OD1-CB 3.23Å; D51-T53 PolarHBondContact OD1-N 3.24Å; D51-T53 PolarHBondContact OD1-OG1 3.19Å; D51-Y94 PolarHBondContact N-O 2.82Å; D51-Y94 WeakPolarHBondContact O-CB 3.45Å; D51-Y94 VanDerWaalsContact O-CD1 3.3Å; D51-Y94 WeakPolarHBondContact O-CD1 3.48Å; D51-I96 HydrophobicContact CB-CD1 4.31Å; D51-I96 HydrophobicContact CB-CG2 3.81Å
52	V	95.6	Very high	94.5	Very high	3 Å²	3	53 Å²	53	2%	0.018	28%	0.275	C	S	.	.			trans	-97.6	14.2	-178.7	-60	0	0	0	0	112.3	L41 L43 R54 F55 L56 Y94	L41-V52 HydrophobicContact CD2-CG2 3.24Å; L41-V52 PolarHBondContact O-N 3.43Å; L43-V52 HydrophobicContact CD1-CB 4.48Å; L43-V52 HydrophobicContact CD1-CG1 4.24Å; L43-V52 HydrophobicContact CD1-CG2 3.51Å; L43-V52 HydrophobicContact CG-CG2 3.91Å; V52-R54 PolarHBondContact O-N 3.09Å; V52-R54 VanDerWaalsContact O-N 3.1Å; V52-F55 HydrophobicContact CB-CB 4.21Å; V52-F55 WeakPolarHBondContact O-CA 3.44Å; V52-F55 WeakPolarHBondContact O-CB 3.36Å; V52-F55 PolarHBondContact O-N 3.12Å; V52-L56 PolarHBondContact O-N 2.83Å; V52-Y94 HydrophobicContact CG1-CG 4.31Å
53	T	94.9	Very high	94.3	Very high	30 Å²	30	56 Å²	56	18%	0.184	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-51.1	-40.3	-179.3	-55.8	0	0	0	0	112	K39 L41 D51 F55 L56	K39-T53 VanDerWaalsContact C-CG2 3.48Å; K39-T53 WeakPolarHBondContact O-CG2 3.36Å; L41-T53 PolarHBondContact N-OG1 2.76Å; D51-T53 WeakPolarHBondContact OD1-CB 3.23Å; D51-T53 PolarHBondContact OD1-N 3.24Å; D51-T53 PolarHBondContact OD1-OG1 3.19Å; T53-F55 VanDerWaalsContact C-N 3.3Å; T53-F55 PolarHBondContact O-N 2.87Å; T53-L56 WeakPolarHBondContact O-CD1 3.29Å
54	R	92.9	Very high	94.2	Very high	226 Å²	226	62.3 Å²	62.3	85%	0.853	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-77.9	-15.7	180	-62.7	-175.2	-179.3	176.7	1.9	113.8	V52	V52-R54 PolarHBondContact O-N 3.09Å; V52-R54 VanDerWaalsContact O-N 3.1Å
55	F	93.7	Very high	94.1	Very high	31 Å²	31	65.1 Å²	65.1	14%	0.136	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-93.7	-8.4	-176.9	-173.3	-116	0	0	0	113	V52 T53 N57 E58 H59 L66 Y94	V52-F55 HydrophobicContact CB-CB 4.21Å; V52-F55 WeakPolarHBondContact O-CA 3.44Å; V52-F55 WeakPolarHBondContact O-CB 3.36Å; V52-F55 PolarHBondContact O-N 3.12Å; T53-F55 VanDerWaalsContact C-N 3.3Å; T53-F55 PolarHBondContact O-N 2.87Å; F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.88Å; F55-E58 HydrophobicContact CD2-CB 3.73Å; F55-E58 HydrophobicContact CE2-CB 3.88Å; F55-E58 CarbonylContact O-C 3.58Å; F55-E58 PolarHBondContact O-N 3.39Å; F55-H59 HydrophobicContact CD1-CB 4.06Å; F55-H59 HydrophobicContact CE1-CB 3.69Å; F55-H59 AromaticContact CE1-CD2 3.58Å; F55-H59 AromaticContact CE1-CG 3.94Å; F55-H59 HydrophobicContact CZ-CB 4.19Å; F55-H59 PolarHBondContact O-N 3.4Å; F55-L66 HydrophobicContact CD1-CD1 4.31Å; F55-Y94 HydrophobicContact CB-CE1 3.91Å; F55-Y94 HydrophobicContact CB-CE2 4.19Å; F55-Y94 HydrophobicContact CD2-CE2 4.13Å; F55-Y94 AromaticContact CD2-CZ 3.92Å; F55-Y94 WeakPolarHBondContact CD2-OH 3.36Å; F55-Y94 HydrophobicContact CG-CE2 4.14Å; F55-Y94 AromaticContact CG-CZ 4Å
56	L	91.4	Very high	94	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-49.7	-174.4	-73.4	168.9	0	0	0	113.9	L38 L41 V52 T53 E63 L66	L38-L56 HydrophobicContact CD2-CD1 4.16Å; L38-L56 WeakPolarHBondContact O-CD1 3.24Å; L41-L56 HydrophobicContact CB-CD1 4.42Å; L41-L56 HydrophobicContact CD1-CD1 4.47Å; L41-L56 HydrophobicContact CD1-CD2 3.66Å; L41-L56 HydrophobicContact CD2-CD2 4.27Å; L41-L56 HydrophobicContact CG-CD2 4.34Å; V52-L56 PolarHBondContact O-N 2.83Å; T53-L56 WeakPolarHBondContact O-CD1 3.29Å; L56-E63 HydrophobicContact CB-CB 4.29Å; L56-E63 HydrophobicContact CD2-CB 4.42Å; L56-E63 WeakPolarHBondContact O-CB 3.45Å; L56-L66 HydrophobicContact CD2-CB 3.89Å; L56-L66 HydrophobicContact CD2-CD1 3.95Å
57	N	91.1	Very high	94	Very high	132 Å²	132	64.6 Å²	64.6	71%	0.706	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.2	-178.7	-64.1	-67.8	0	0	0	114	F55	F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.88Å
58	E	92.8	Very high	94	Very high	141 Å²	141	70.3 Å²	70.3	66%	0.659	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.6	-178.4	-61.3	-64.2	135.8	0	0	111.6	F55 P60	F55-E58 HydrophobicContact CD2-CB 3.73Å; F55-E58 HydrophobicContact CE2-CB 3.88Å; F55-E58 CarbonylContact O-C 3.58Å; F55-E58 PolarHBondContact O-N 3.39Å; E58-P60 VanDerWaalsContact O-CD 3.24Å; E58-P60 WeakPolarHBondContact O-CD 3.47Å
59	H	94.4	Very high	94	Very high	27 Å²	27	67 Å²	67	13%	0.125	35%	0.35	C	S	.	.			trans	-68	118.2	179.9	-177	-130.8	0	0	0	110.9	F55 G61 G62 V65 L66 H83	F55-H59 HydrophobicContact CD1-CB 4.06Å; F55-H59 HydrophobicContact CE1-CB 3.69Å; F55-H59 AromaticContact CE1-CD2 3.58Å; F55-H59 AromaticContact CE1-CG 3.94Å; F55-H59 HydrophobicContact CZ-CB 4.19Å; F55-H59 PolarHBondContact O-N 3.4Å; H59-G61 PolarHBondContact O-N 3.46Å; H59-G61 VanDerWaalsContact O-N 3.11Å; H59-G62 PolarHBondContact ND1-O 2.89Å; H59-G62 PolarHBondContact O-N 3.34Å; H59-V65 VanDerWaalsContact CE1-CG2 3.44Å; H59-V65 WeakPolarHBondContact CE1-CG2 3.37Å; H59-L66 HydrophobicContact CB-CD1 3.59Å; H59-L66 HydrophobicContact CB-CG 4.39Å; H59-H83 AromaticContact NE2-NE2 3.97Å
60	P	93.8	Very high	93.9	Very high	125 Å²	125	67.6 Å²	67.6	81%	0.812	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.6	-177.7	-25.4	35.8	0	0	0	114.3	E58 G62	E58-P60 VanDerWaalsContact O-CD 3.24Å; E58-P60 WeakPolarHBondContact O-CD 3.47Å; P60-G62 VanDerWaalsContact C-N 3.31Å
61	G	91.3	Very high	93.7	Very high	50 Å²	50	67.1 Å²	67.1	52%	0.515	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.8	175	0	0	0	0	0	114.6	H59	H59-G61 PolarHBondContact O-N 3.46Å; H59-G61 VanDerWaalsContact O-N 3.11Å
62	G	93.9	Very high	93.6	Very high	32 Å²	32	68 Å²	68	33%	0.33	36%	0.361	S	S	.	.			trans	88.2	161.5	-176.2	0	0	0	0	0	113.8	H59 P60 V65	H59-G62 PolarHBondContact ND1-O 2.89Å; H59-G62 PolarHBondContact O-N 3.34Å; P60-G62 VanDerWaalsContact C-N 3.31Å; G62-V65 WeakPolarHBondContact O-CG2 3.37Å
63	E	93.6	Very high	93.5	Very high	79 Å²	79	72 Å²	72	37%	0.369	38%	0.382	S	S	.	.	H	α-helix	trans	-74.5	-25.8	-179.4	63	179.8	-169	0	0	113.4	L56 V65 L66 L67	L56-E63 HydrophobicContact CB-CB 4.29Å; L56-E63 HydrophobicContact CD2-CB 4.42Å; L56-E63 WeakPolarHBondContact O-CB 3.45Å; E63-V65 PolarHBondContact O-N 3.16Å; E63-L66 PolarHBondContact O-N 3.13Å; E63-L66 VanDerWaalsContact O-N 3.15Å; E63-L67 PolarHBondContact O-N 2.96Å
64	E	92.8	Very high	93.5	Very high	139 Å²	139	71 Å²	71	65%	0.65	38%	0.376	S	S	*	.	H	α-helix	trans	-57.2	-49	-177.1	-176.9	175.4	-166.4	0	0	111.4	L66 L67 E68	E64-L66 PolarHBondContact O-N 3.32Å; E64-L67 WeakPolarHBondContact O-CB 3.36Å; E64-L67 PolarHBondContact O-N 3.41Å; E64-L67 VanDerWaalsContact O-N 3.07Å; E64-E68 WeakPolarHBondContact O-CG 3.47Å; E64-E68 PolarHBondContact O-N 3.14Å
65	V	94.1	Very high	93.7	Very high	60 Å²	60	61 Å²	61	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-26.5	-179.1	-61.1	0	0	0	0	113	H59 G62 E63 Q69	H59-V65 VanDerWaalsContact CE1-CG2 3.44Å; H59-V65 WeakPolarHBondContact CE1-CG2 3.37Å; G62-V65 WeakPolarHBondContact O-CG2 3.37Å; E63-V65 PolarHBondContact O-N 3.16Å; V65-Q69 WeakPolarHBondContact O-CG 3.31Å; V65-Q69 PolarHBondContact O-N 3.09Å
66	L	94.5	Very high	93.7	Very high	18 Å²	18	67.5 Å²	67.5	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-75.7	-37.1	173.5	-63.4	178.2	0	0	0	111.1	L41 L43 F55 L56 H59 E63 E64 Q69 A70	L41-L66 HydrophobicContact CD2-CB 4.29Å; L43-L66 HydrophobicContact CD1-CD2 3.94Å; F55-L66 HydrophobicContact CD1-CD1 4.31Å; L56-L66 HydrophobicContact CD2-CB 3.89Å; L56-L66 HydrophobicContact CD2-CD1 3.95Å; H59-L66 HydrophobicContact CB-CD1 3.59Å; H59-L66 HydrophobicContact CB-CG 4.39Å; E63-L66 PolarHBondContact O-N 3.13Å; E63-L66 VanDerWaalsContact O-N 3.15Å; E64-L66 PolarHBondContact O-N 3.32Å; L66-Q69 CarbonylContact O-C 3.58Å; L66-Q69 PolarHBondContact O-N 3Å; L66-A70 PolarHBondContact O-N 3.28Å; L66-A70 VanDerWaalsContact O-N 3.08Å
67	L	94.7	Very high	93.8	Very high	58 Å²	58	69.4 Å²	69.4	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-39.2	175.6	-74.5	161.3	0	0	0	112.3	L38 L41 E63 E64 Q69 A70	L38-L67 HydrophobicContact CD2-CD1 3.69Å; L38-L67 HydrophobicContact CD2-CD2 3.89Å; L38-L67 HydrophobicContact CD2-CG 4.2Å; L38-L67 HydrophobicContact CG-CD1 4.31Å; L38-L67 HydrophobicContact CG-CD2 4Å; L41-L67 HydrophobicContact CD1-CD2 3.52Å; L41-L67 HydrophobicContact CD1-CG 3.98Å; E63-L67 PolarHBondContact O-N 2.96Å; E64-L67 WeakPolarHBondContact O-CB 3.36Å; E64-L67 PolarHBondContact O-N 3.41Å; E64-L67 VanDerWaalsContact O-N 3.07Å; L67-Q69 PolarHBondContact O-N 3.31Å; L67-A70 WeakPolarHBondContact O-CB 3.49Å; L67-A70 PolarHBondContact O-N 2.86Å
68	E	93.4	Very high	94	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-61.5	-33	176	-71.9	-177.2	115.6	0	0	112.3	E64	E64-E68 WeakPolarHBondContact O-CG 3.47Å; E64-E68 PolarHBondContact O-N 3.14Å
69	Q	95.1	Very high	94.1	Very high	55 Å²	55	61.3 Å²	61.3	26%	0.257	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.5	178.9	-61.3	-55.8	-49.5	0	0	113.4	L43 V65 L66 L67 G71 V72 A74	L43-Q69 VanDerWaalsContact CD2-C 3.44Å; L43-Q69 HydrophobicContact CD2-CB 3.91Å; L43-Q69 WeakPolarHBondContact CD2-O 3.41Å; V65-Q69 WeakPolarHBondContact O-CG 3.31Å; V65-Q69 PolarHBondContact O-N 3.09Å; L66-Q69 CarbonylContact O-C 3.58Å; L66-Q69 PolarHBondContact O-N 3Å; L67-Q69 PolarHBondContact O-N 3.31Å; Q69-G71 PolarHBondContact O-N 3.44Å; Q69-V72 WeakPolarHBondContact O-CG2 3.41Å; Q69-V72 PolarHBondContact O-N 3.48Å; Q69-A74 HydrophobicContact CB-CB 3.84Å; Q69-A74 HydrophobicContact CG-CB 4.26Å
70	A	94.1	Very high	94.1	Very high	11 Å²	11	67 Å²	67	9%	0.091	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	132.3	-173.8	0	0	0	0	0	112.3	N36 L41 L66 L67 V72	N36-A70 HydrophobicContact CB-CB 4.03Å; L41-A70 HydrophobicContact CD1-CB 3.61Å; L41-A70 HydrophobicContact CD2-CB 4.21Å; L41-A70 HydrophobicContact CG-CB 3.64Å; L66-A70 PolarHBondContact O-N 3.28Å; L66-A70 VanDerWaalsContact O-N 3.08Å; L67-A70 WeakPolarHBondContact O-CB 3.49Å; L67-A70 PolarHBondContact O-N 2.86Å; A70-V72 VanDerWaalsContact C-N 3.25Å; A70-V72 PolarHBondContact O-N 3.09Å
71	G	93.3	Very high	94.2	Very high	5 Å²	5	66 Å²	66	5%	0.052	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	7.7	178.9	0	0	0	0	0	114.9	V32 A33 W42 Q69	V32-G71 VanDerWaalsContact O-CA 3.26Å; V32-G71 WeakPolarHBondContact O-CA 3.4Å; A33-G71 VanDerWaalsContact CA-O 3.26Å; A33-G71 WeakPolarHBondContact CA-O 3.39Å; A33-G71 PolarHBondContact N-O 3.33Å; W42-G71 PolarHBondContact O-N 3.17Å; Q69-G71 PolarHBondContact O-N 3.44Å
72	V	93.3	Very high	94.3	Very high	69 Å²	69	66.1 Å²	66.1	42%	0.418	37%	0.368	S	S	.	.	S	Bend	trans	-125.1	175.3	178.7	-60.4	0	0	0	0	112.2	V44 Q69 A70 A74	V44-V72 PolarHBondContact N-O 3.03Å; V44-V72 VanDerWaalsContact N-O 3.09Å; Q69-V72 WeakPolarHBondContact O-CG2 3.41Å; Q69-V72 PolarHBondContact O-N 3.48Å; A70-V72 VanDerWaalsContact C-N 3.25Å; A70-V72 PolarHBondContact O-N 3.09Å; V72-A74 PolarHBondContact O-N 3.45Å
73	D	95.2	Very high	94.4	Very high	89 Å²	89	66.8 Å²	66.8	48%	0.476	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-76.7	110.2	170.4	-169.7	-32.8	0	0	0	110.1	V44 S75	V44-D73 HydrophobicContact CB-CB 4.37Å; D73-S75 WeakPolarHBondContact OD1-CB 3.32Å; D73-S75 PolarHBondContact OD1-N 2.97Å; D73-S75 PolarHBondContact OD1-OG 3.44Å
74	A	95.3	Very high	94.5	Very high	7 Å²	7	66.3 Å²	66.3	6%	0.058	37%	0.368	C	S	.	.			trans	-100	11.5	-178.1	0	0	0	0	0	112.2	L43 V44 I45 Q69 V72 E76 S77 F78	L43-A74 HydrophobicContact CD2-CB 4.39Å; V44-A74 PolarHBondContact O-N 3.3Å; I45-A74 HydrophobicContact CG1-CB 4.42Å; Q69-A74 HydrophobicContact CB-CB 3.84Å; Q69-A74 HydrophobicContact CG-CB 4.26Å; V72-A74 PolarHBondContact O-N 3.45Å; A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 2.96Å; A74-S77 PolarHBondContact O-N 3.04Å; A74-F78 VanDerWaalsContact O-CB 3.26Å; A74-F78 WeakPolarHBondContact O-CB 3.38Å; A74-F78 PolarHBondContact O-N 3.38Å
75	S	95.4	Very high	94.6	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.112	37%	0.37	C	S	.	.	H	α-helix	trans	-59.3	-43.1	-174.6	-52	0	0	0	0	112.1	I45 H46 D73 F78 E79	I45-S75 WeakPolarHBondContact CA-OG 3.04Å; H46-S75 PolarHBondContact N-OG 3.36Å; D73-S75 WeakPolarHBondContact OD1-CB 3.32Å; D73-S75 PolarHBondContact OD1-N 2.97Å; D73-S75 PolarHBondContact OD1-OG 3.44Å; S75-F78 PolarHBondContact O-N 3.49Å; S75-E79 WeakPolarHBondContact O-CG 3.39Å; S75-E79 PolarHBondContact O-N 2.95Å
76	E	94.1	Very high	94.6	Very high	168 Å²	168	66.8 Å²	66.8	79%	0.785	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-50.9	178.3	-174.1	178.3	95.3	0	0	110.9	A74 F78 E79 D80	A74-E76 VanDerWaalsContact C-N 3.33Å; A74-E76 PolarHBondContact O-N 2.96Å; E76-F78 VanDerWaalsContact C-N 3.29Å; E76-F78 PolarHBondContact O-N 3.35Å; E76-E79 PolarHBondContact O-N 3.47Å; E76-D80 WeakPolarHBondContact O-CB 3.29Å; E76-D80 PolarHBondContact O-N 2.91Å
77	S	93.6	Very high	94.6	Very high	46 Å²	46	67 Å²	67	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-37.3	177.8	-56	0	0	0	0	112.4	A74 V81	A74-S77 PolarHBondContact O-N 3.04Å; S77-V81 VanDerWaalsContact O-CG2 3.29Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.92Å
78	F	95	Very high	94.6	Very high	23 Å²	23	69 Å²	69	10%	0.101	39%	0.389	C	S	.	.	H	α-helix	trans	-65.8	-41.6	178.2	-177.3	-95.5	0	0	0	112.4	I45 A74 S75 E76 H83 R88 L91	I45-F78 HydrophobicContact CD1-CB 4.35Å; I45-F78 HydrophobicContact CD1-CD2 3.82Å; I45-F78 HydrophobicContact CD1-CE2 4.32Å; I45-F78 HydrophobicContact CD1-CG 4.07Å; I45-F78 HydrophobicContact CG1-CB 4.49Å; I45-F78 HydrophobicContact CG2-CB 4.38Å; I45-F78 HydrophobicContact CG2-CD1 3.98Å; I45-F78 HydrophobicContact CG2-CG 4.15Å; A74-F78 VanDerWaalsContact O-CB 3.26Å; A74-F78 WeakPolarHBondContact O-CB 3.38Å; A74-F78 PolarHBondContact O-N 3.38Å; S75-F78 PolarHBondContact O-N 3.49Å; E76-F78 VanDerWaalsContact C-N 3.29Å; E76-F78 PolarHBondContact O-N 3.35Å; F78-H83 AromaticContact CD2-CE1 3.66Å; F78-H83 AromaticContact CD2-CG 3.92Å; F78-H83 AromaticContact CD2-ND1 3.36Å; F78-H83 WeakPolarHBondContact CD2-ND1 3.24Å; F78-H83 HydrophobicContact CE1-CB 4.17Å; F78-H83 HydrophobicContact CE2-CB 3.84Å; F78-H83 AromaticContact CE2-CD2 3.96Å; F78-H83 AromaticContact CE2-CE1 3.91Å; F78-H83 AromaticContact CE2-CG 3.48Å; F78-H83 VanDerWaalsContact CE2-CG 3.48Å; F78-H83 AromaticContact CE2-ND1 3.45Å; F78-H83 WeakPolarHBondContact CE2-ND1 3.42Å; F78-H83 AromaticContact CG-ND1 3.88Å; F78-H83 HydrophobicContact CZ-CB 3.62Å; F78-H83 AromaticContact CZ-CG 3.82Å; F78-H83 PolarHBondContact O-ND1 3.5Å; F78-R88 HydrophobicContact CE1-CG 3.93Å; F78-R88 HydrophobicContact CZ-CG 3.78Å; F78-L91 HydrophobicContact CE2-CD2 4.11Å; F78-L91 HydrophobicContact CZ-CD2 3.97Å
79	E	95.1	Very high	94.7	Very high	79 Å²	79	68 Å²	68	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-75.6	-37.3	177.9	-68	-56.9	140.2	0	0	112.7	H46 S75 E76 V81 G82 R88	H46-E79 IonicContact CD2-OE1 3.93Å; H46-E79 IonicContact CE1-OE1 3.52Å; H46-E79 IonicContact NE2-OE1 2.79Å; H46-E79 PolarHBondContact NE2-OE1 2.87Å; S75-E79 WeakPolarHBondContact O-CG 3.39Å; S75-E79 PolarHBondContact O-N 2.95Å; E76-E79 PolarHBondContact O-N 3.47Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.96Å; E79-G82 PolarHBondContact O-N 3.33Å; E79-R88 IonicContact OE1-NH2 3.44Å; E79-R88 PolarHBondContact OE1-NH2 3.38Å; E79-R88 IonicContact OE2-CZ 3.92Å; E79-R88 IonicContact OE2-NH2 2.79Å; E79-R88 PolarHBondContact OE2-NH2 3.12Å
80	D	95.1	Very high	94.6	Very high	146 Å²	146	68.8 Å²	68.8	78%	0.781	39%	0.388	S	S	*	.	H	α-helix	trans	-62.8	-36.8	179.2	-168.9	58	0	0	0	112.2	E76 G82	E76-D80 WeakPolarHBondContact O-CB 3.29Å; E76-D80 PolarHBondContact O-N 2.91Å; D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 PolarHBondContact O-N 3.41Å
81	V	94.6	Very high	94.7	Very high	104 Å²	104	69.4 Å²	69.4	63%	0.63	39%	0.39	S	S	*	.	H	α-helix	trans	-68.2	-27.2	174.1	172.4	0	0	0	0	112.2	S77 E79	S77-V81 VanDerWaalsContact O-CG2 3.29Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.92Å; E79-V81 VanDerWaalsContact C-N 3.3Å; E79-V81 PolarHBondContact O-N 2.96Å
82	G	94.4	Very high	94.7	Very high	54 Å²	54	74.7 Å²	74.7	56%	0.557	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	48.3	179	0	0	0	0	0	114	E79 D80	E79-G82 PolarHBondContact O-N 3.33Å; D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 PolarHBondContact O-N 3.41Å
83	H	95.4	Very high	94.8	Very high	45 Å²	45	78.6 Å²	78.6	21%	0.208	43%	0.425	C	S	.	.			trans	-53.4	138.6	177.5	-73.2	87.9	0	0	0	112.9	H59 F78 A87 R88	H59-H83 AromaticContact NE2-NE2 3.97Å; F78-H83 AromaticContact CD2-CE1 3.66Å; F78-H83 AromaticContact CD2-CG 3.92Å; F78-H83 AromaticContact CD2-ND1 3.36Å; F78-H83 WeakPolarHBondContact CD2-ND1 3.24Å; F78-H83 HydrophobicContact CE1-CB 4.17Å; F78-H83 HydrophobicContact CE2-CB 3.84Å; F78-H83 AromaticContact CE2-CD2 3.96Å; F78-H83 AromaticContact CE2-CE1 3.91Å; F78-H83 AromaticContact CE2-CG 3.48Å; F78-H83 VanDerWaalsContact CE2-CG 3.48Å; F78-H83 AromaticContact CE2-ND1 3.45Å; F78-H83 WeakPolarHBondContact CE2-ND1 3.42Å; F78-H83 AromaticContact CG-ND1 3.88Å; F78-H83 HydrophobicContact CZ-CB 3.62Å; F78-H83 AromaticContact CZ-CG 3.82Å; F78-H83 PolarHBondContact O-ND1 3.5Å; H83-A87 HydrophobicContact CB-CB 4.15Å; H83-R88 PolarHBondContact O-NE 2.68Å
84	S	96.3	Very high	94.8	Very high	69 Å²	69	76.9 Å²	76.9	48%	0.483	41%	0.413	S	S	.	.			trans	-64.3	162.9	-179.7	72.5	0	0	0	0	112.4	D86 A87 R88	S84-D86 PolarHBondContact O-N 2.93Å; S84-A87 PolarHBondContact O-N 3.28Å; S84-A87 PolarHBondContact OG-N 2.94Å; S84-R88 WeakPolarHBondContact O-CG 3.12Å; S84-R88 PolarHBondContact O-N 3.49Å
85	S	95.1	Very high	94.8	Very high	101 Å²	101	80.4 Å²	80.4	71%	0.706	43%	0.425	S	S	*	.	H	α-helix	trans	-59	-34.3	174.2	54.1	0	0	0	0	112.7	R88 E89	S85-R88 PolarHBondContact O-N 2.75Å; S85-E89 PolarHBondContact O-N 3.19Å
86	D	94.8	Very high	94.9	Very high	108 Å²	108	81.9 Å²	81.9	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-67.4	-45.4	176.9	-168.6	-81.1	0	0	0	111.2	S84 R88 E89 M90	S84-D86 PolarHBondContact O-N 2.93Å; D86-R88 VanDerWaalsContact C-N 3.27Å; D86-R88 PolarHBondContact O-N 2.87Å; D86-E89 WeakPolarHBondContact O-CA 3.26Å; D86-E89 WeakPolarHBondContact O-CB 3.46Å; D86-E89 PolarHBondContact O-N 3.15Å; D86-M90 WeakPolarHBondContact O-CG 3.48Å; D86-M90 PolarHBondContact O-N 3.02Å
87	A	93.9	Very high	94.9	Very high	22 Å²	22	73.9 Å²	73.9	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-38.5	174.7	0	0	0	0	0	112.3	H83 S84 E89 M90 L91	H83-A87 HydrophobicContact CB-CB 4.15Å; S84-A87 PolarHBondContact O-N 3.28Å; S84-A87 PolarHBondContact OG-N 2.94Å; A87-E89 VanDerWaalsContact C-N 3.32Å; A87-E89 PolarHBondContact O-N 3.06Å; A87-M90 PolarHBondContact O-N 3.01Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 PolarHBondContact O-N 3.48Å
88	R	94.9	Very high	95.1	Very high	102 Å²	102	73.5 Å²	73.5	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-32.2	174.1	-69.4	169.5	178.1	-173.1	-8.1	112.7	F78 E79 H83 S84 S85 D86	F78-R88 HydrophobicContact CE1-CG 3.93Å; F78-R88 HydrophobicContact CZ-CG 3.78Å; E79-R88 IonicContact OE1-NH2 3.44Å; E79-R88 PolarHBondContact OE1-NH2 3.38Å; E79-R88 IonicContact OE2-CZ 3.92Å; E79-R88 IonicContact OE2-NH2 2.79Å; E79-R88 PolarHBondContact OE2-NH2 3.12Å; H83-R88 PolarHBondContact O-NE 2.68Å; S84-R88 WeakPolarHBondContact O-CG 3.12Å; S84-R88 PolarHBondContact O-N 3.49Å; S85-R88 PolarHBondContact O-N 2.75Å; D86-R88 VanDerWaalsContact C-N 3.27Å; D86-R88 PolarHBondContact O-N 2.87Å
89	E	95.1	Very high	95.1	Very high	108 Å²	108	72.6 Å²	72.6	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-71.5	-44.2	174.2	-164.3	63.1	-139.4	0	0	111	S85 D86 A87 L91 K92	S85-E89 PolarHBondContact O-N 3.19Å; D86-E89 WeakPolarHBondContact O-CA 3.26Å; D86-E89 WeakPolarHBondContact O-CB 3.46Å; D86-E89 PolarHBondContact O-N 3.15Å; A87-E89 VanDerWaalsContact C-N 3.32Å; A87-E89 PolarHBondContact O-N 3.06Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 3.02Å; E89-K92 WeakPolarHBondContact O-CB 3.48Å; E89-K92 PolarHBondContact O-N 3.31Å; E89-K92 WeakPolarHBondContact OE1-CD 3.38Å; E89-K92 IonicContact OE1-NZ 3.05Å; E89-K92 PolarHBondContact OE1-NZ 2.68Å; E89-K92 WeakPolarHBondContact OE2-CE 3.37Å; E89-K92 IonicContact OE2-NZ 2.66Å; E89-K92 PolarHBondContact OE2-NZ 3.37Å
90	M	93.7	Very high	95	Very high	73 Å²	73	71.9 Å²	71.9	36%	0.36	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-39.7	174.5	-66.7	-163.8	-57.1	0	0	111.9	D86 A87 K92 Q93 Y94	D86-M90 WeakPolarHBondContact O-CG 3.48Å; D86-M90 PolarHBondContact O-N 3.02Å; A87-M90 PolarHBondContact O-N 3.01Å; M90-K92 PolarHBondContact O-N 2.8Å; M90-K92 VanDerWaalsContact O-N 3.14Å; M90-Q93 VanDerWaalsContact O-CB 3.27Å; M90-Q93 WeakPolarHBondContact O-CB 3.31Å; M90-Q93 WeakPolarHBondContact O-CG 3.23Å; M90-Q93 PolarHBondContact O-N 2.55Å; M90-Y94 WeakPolarHBondContact O-CD2 3.37Å
91	L	94.7	Very high	94.7	Very high	24 Å²	24	68.8 Å²	68.8	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-53.7	-36.2	178.1	179.7	63.9	0	0	0	112.4	I45 Y50 F78 A87 E89 Q93 Y94	I45-L91 HydrophobicContact CD1-CD1 4.04Å; I45-L91 HydrophobicContact CD1-CD2 3.72Å; I45-L91 HydrophobicContact CG2-CD2 4.41Å; Y50-L91 HydrophobicContact CD1-CD1 3.69Å; Y50-L91 HydrophobicContact CD1-CG 3.76Å; Y50-L91 VanDerWaalsContact CD1-O 3.31Å; Y50-L91 WeakPolarHBondContact CD1-O 3.26Å; Y50-L91 HydrophobicContact CD2-CD1 4.32Å; Y50-L91 HydrophobicContact CE1-CD1 4.08Å; Y50-L91 HydrophobicContact CE1-CD2 4.11Å; Y50-L91 HydrophobicContact CE1-CG 3.61Å; Y50-L91 HydrophobicContact CE2-CD2 4.3Å; Y50-L91 HydrophobicContact CG-CD1 3.82Å; Y50-L91 HydrophobicContact CG-CG 4.27Å; F78-L91 HydrophobicContact CE2-CD2 4.11Å; F78-L91 HydrophobicContact CZ-CD2 3.97Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 PolarHBondContact O-N 3.48Å; E89-L91 VanDerWaalsContact C-N 3.29Å; E89-L91 PolarHBondContact O-N 3.02Å; L91-Q93 PolarHBondContact O-N 2.87Å; L91-Q93 VanDerWaalsContact O-N 3.15Å; L91-Y94 PolarHBondContact O-N 2.79Å
92	K	94.4	Very high	94.5	Very high	115 Å²	115	68.1 Å²	68.1	50%	0.5	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.8	179.6	-61.4	174	-173.9	170.8	0	113.1	E89 M90 Y94 Y95	E89-K92 WeakPolarHBondContact O-CB 3.48Å; E89-K92 PolarHBondContact O-N 3.31Å; E89-K92 WeakPolarHBondContact OE1-CD 3.38Å; E89-K92 IonicContact OE1-NZ 3.05Å; E89-K92 PolarHBondContact OE1-NZ 2.68Å; E89-K92 WeakPolarHBondContact OE2-CE 3.37Å; E89-K92 IonicContact OE2-NZ 2.66Å; E89-K92 PolarHBondContact OE2-NZ 3.37Å; M90-K92 PolarHBondContact O-N 2.8Å; M90-K92 VanDerWaalsContact O-N 3.14Å; K92-Y94 PolarHBondContact O-N 2.88Å; K92-Y95 VanDerWaalsContact O-CB 3.32Å; K92-Y95 WeakPolarHBondContact O-CB 3.25Å; K92-Y95 PolarHBondContact O-N 2.89Å
93	Q	94.6	Very high	94.1	Very high	152 Å²	152	67.4 Å²	67.4	71%	0.71	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21.8	177.6	-58.9	-178.6	-30.4	0	0	112.6	M90 L91	M90-Q93 VanDerWaalsContact O-CB 3.27Å; M90-Q93 WeakPolarHBondContact O-CB 3.31Å; M90-Q93 WeakPolarHBondContact O-CG 3.23Å; M90-Q93 PolarHBondContact O-N 2.55Å; L91-Q93 PolarHBondContact O-N 2.87Å; L91-Q93 VanDerWaalsContact O-N 3.15Å
94	Y	95.4	Very high	93.4	Very high	53 Å²	53	68.6 Å²	68.6	21%	0.208	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-97.6	2.2	-179.7	-58.2	-73.8	0	0	0	112.7	Y50 D51 V52 F55 M90 L91 K92 I96	Y50-Y94 CarbonylContact C-O 3.54Å; Y50-Y94 VanDerWaalsContact CA-O 3.23Å; Y50-Y94 WeakPolarHBondContact CA-O 3.3Å; D51-Y94 PolarHBondContact N-O 2.82Å; D51-Y94 WeakPolarHBondContact O-CB 3.45Å; D51-Y94 VanDerWaalsContact O-CD1 3.3Å; D51-Y94 WeakPolarHBondContact O-CD1 3.48Å; V52-Y94 HydrophobicContact CG1-CG 4.31Å; F55-Y94 HydrophobicContact CB-CE1 3.91Å; F55-Y94 HydrophobicContact CB-CE2 4.19Å; F55-Y94 HydrophobicContact CD2-CE2 4.13Å; F55-Y94 AromaticContact CD2-CZ 3.92Å; F55-Y94 WeakPolarHBondContact CD2-OH 3.36Å; F55-Y94 HydrophobicContact CG-CE2 4.14Å; F55-Y94 AromaticContact CG-CZ 4Å; M90-Y94 WeakPolarHBondContact O-CD2 3.37Å; L91-Y94 PolarHBondContact O-N 2.79Å; K92-Y94 PolarHBondContact O-N 2.88Å; Y94-I96 PolarHBondContact O-N 2.81Å
95	Y	96.1	Very high	92.3	Very high	81 Å²	81	74.1 Å²	74.1	32%	0.318	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.5	-179.6	173.2	-100.9	0	0	0	111.5	R48 Y50 K92 G97 D98	R48-Y95 HydrophobicContact CB-CD2 4.07Å; R48-Y95 HydrophobicContact CB-CE2 3.91Å; R48-Y95 HydrophobicContact CG-CE2 4.28Å; Y50-Y95 HydrophobicContact CE1-CD2 4.19Å; K92-Y95 VanDerWaalsContact O-CB 3.32Å; K92-Y95 WeakPolarHBondContact O-CB 3.25Å; K92-Y95 PolarHBondContact O-N 2.89Å; Y95-G97 VanDerWaalsContact CE2-C 3.42Å; Y95-G97 WeakPolarHBondContact CE2-O 3.26Å; Y95-G97 VanDerWaalsContact CZ-CA 3.49Å; Y95-G97 WeakPolarHBondContact OH-CA 3.16Å; Y95-D98 WeakPolarHBondContact CE2-OD1 3.36Å; Y95-D98 PolarHBondContact OH-OD1 3.39Å; Y95-D98 VanDerWaalsContact OH-OD1 3.12Å
96	I	96	Very high	90.6	Very high	46 Å²	46	74.7 Å²	74.7	24%	0.236	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-17.9	178.7	59.8	165.3	0	0	0	113.7	Y27 W42 V49 D51 Y94	Y27-I96 HydrophobicContact CE2-CB 4.37Å; Y27-I96 HydrophobicContact CE2-CD1 3.98Å; Y27-I96 HydrophobicContact CE2-CG1 3.93Å; W42-I96 HydrophobicContact CD2-CD1 3.75Å; W42-I96 HydrophobicContact CE3-CD1 3.93Å; W42-I96 HydrophobicContact CG-CD1 4.41Å; W42-I96 HydrophobicContact CH2-CD1 3.86Å; W42-I96 HydrophobicContact CZ2-CD1 3.66Å; W42-I96 HydrophobicContact CZ3-CD1 3.99Å; V49-I96 HydrophobicContact CB-CD1 4.49Å; V49-I96 HydrophobicContact CB-CG1 4.07Å; V49-I96 HydrophobicContact CG1-CD1 3.83Å; V49-I96 HydrophobicContact CG1-CG1 3.91Å; V49-I96 WeakPolarHBondContact O-CG1 3.42Å; V49-I96 PolarHBondContact O-N 3.09Å; D51-I96 HydrophobicContact CB-CD1 4.31Å; D51-I96 HydrophobicContact CB-CG2 3.81Å; Y94-I96 PolarHBondContact O-N 2.81Å
97	G	95.7	Very high	88.9	Confident	1 Å²	1	76 Å²	76	1%	0.01	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-172.1	-179.7	0	0	0	0	0	112.8	T25 V49 Y95	T25-G97 CarbonylContact O-C 3.5Å; T25-G97 WeakPolarHBondContact O-CA 3.39Å; V49-G97 PolarHBondContact N-O 3.44Å; Y95-G97 VanDerWaalsContact CE2-C 3.42Å; Y95-G97 WeakPolarHBondContact CE2-O 3.26Å; Y95-G97 VanDerWaalsContact CZ-CA 3.49Å; Y95-G97 WeakPolarHBondContact OH-CA 3.16Å
98	D	95.9	Very high	86.7	Confident	38 Å²	38	81.4 Å²	81.4	20%	0.203	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	158	-179.2	-72.5	-21.8	0	0	0	111.5	V24 T25 Y26 Y27 R48 Y95	V24-D98 HydrophobicContact CG1-CB 3.79Å; V24-D98 WeakPolarHBondContact CG1-OD2 3.41Å; T25-D98 PolarHBondContact O-N 3.09Å; Y26-D98 CarbonylContact C-O 3.48Å; Y26-D98 VanDerWaalsContact CA-O 3.27Å; Y26-D98 WeakPolarHBondContact CA-O 3.27Å; Y26-D98 HydrophobicContact CD1-CB 4.04Å; Y26-D98 HydrophobicContact CE1-CB 3.94Å; Y27-D98 PolarHBondContact N-O 2.89Å; R48-D98 WeakPolarHBondContact CG-OD1 3.29Å; Y95-D98 WeakPolarHBondContact CE2-OD1 3.36Å; Y95-D98 PolarHBondContact OH-OD1 3.39Å; Y95-D98 VanDerWaalsContact OH-OD1 3.12Å
99	I	95.3	Very high	84.6	Confident	3 Å²	3	80.7 Å²	80.7	2%	0.015	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.8	168.8	-71.2	-64.2	0	0	0	109.8	Y27 L29 V32 V44 G47 V49 D103 L104	Y27-I99 CarbonylContact O-C 3.53Å; Y27-I99 WeakPolarHBondContact O-CA 3.39Å; L29-I99 HydrophobicContact CD2-CD1 3.89Å; L29-I99 HydrophobicContact CD2-CG1 4.37Å; L29-I99 HydrophobicContact CG-CD1 4.3Å; L29-I99 HydrophobicContact CG-CG2 4.28Å; V32-I99 HydrophobicContact CG2-CD1 3.78Å; V44-I99 HydrophobicContact CB-CG1 4.49Å; V44-I99 HydrophobicContact CG1-CG1 3.7Å; V44-I99 HydrophobicContact CG2-CD1 3.82Å; V44-I99 HydrophobicContact CG2-CG1 3.92Å; G47-I99 PolarHBondContact O-N 3.03Å; V49-I99 HydrophobicContact CG2-CD1 3.53Å; V49-I99 HydrophobicContact CG2-CG1 3.75Å; I99-D103 HydrophobicContact CG2-CB 3.75Å; I99-L104 HydrophobicContact CB-CD2 3.77Å; I99-L104 HydrophobicContact CB-CG 4.43Å; I99-L104 HydrophobicContact CG2-CD2 3.77Å; I99-L104 HydrophobicContact CG2-CG 4.1Å
100	H	94.1	Very high	82.2	Confident	65 Å²	65	80.1 Å²	80.1	30%	0.301	44%	0.437	S	S	.	.			trans	-57.3	134.4	176.8	-169.1	-87.4	0	0	0	110.2	Y27 S102 D103 L104	Y27-H100 PolarHBondContact O-N 3.41Å; H100-S102 PolarHBondContact CE1-OG 3.28Å; H100-S102 WeakPolarHBondContact ND1-CB 3.02Å; H100-S102 PolarHBondContact ND1-N 2.98Å; H100-S102 PolarHBondContact ND1-OG 3.15Å; H100-S102 VanDerWaalsContact ND1-OG 3.12Å; H100-S102 PolarHBondContact O-N 3.05Å; H100-D103 PolarHBondContact O-N 3.4Å; H100-L104 PolarHBondContact O-N 3.36Å
101	P	89.3	Confident	80	Confident	80 Å²	80	86.7 Å²	86.7	52%	0.519	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	-173.5	21.1	-34.1	0	0	0	114.6	D103	P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 PolarHBondContact O-N 2.66Å
102	S	88.6	Confident	77.9	Confident	91 Å²	91	90.9 Å²	90.9	64%	0.636	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.2	173.6	-50.5	0	0	0	0	114.3	H100	H100-S102 PolarHBondContact CE1-OG 3.28Å; H100-S102 WeakPolarHBondContact ND1-CB 3.02Å; H100-S102 PolarHBondContact ND1-N 2.98Å; H100-S102 PolarHBondContact ND1-OG 3.15Å; H100-S102 VanDerWaalsContact ND1-OG 3.12Å; H100-S102 PolarHBondContact O-N 3.05Å
103	D	87.8	Confident	75.9	Confident	39 Å²	39	91.8 Å²	91.8	21%	0.209	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-10.7	-179.2	-65.4	-17.1	0	0	0	111.9	R28 L29 I99 H100 P101 K105	R28-D103 WeakPolarHBondContact CA-OD2 3.39Å; R28-D103 IonicContact CZ-OD1 3.28Å; R28-D103 VanDerWaalsContact CZ-OD1 3.28Å; R28-D103 IonicContact CZ-OD2 3.26Å; R28-D103 VanDerWaalsContact CZ-OD2 3.26Å; R28-D103 IonicContact NE-OD2 3.54Å; R28-D103 IonicContact NH1-OD1 2.7Å; R28-D103 PolarHBondContact NH1-OD1 2.99Å; R28-D103 IonicContact NH1-OD2 3.05Å; R28-D103 PolarHBondContact NH1-OD2 2.95Å; R28-D103 IonicContact NH2-OD1 3.42Å; R28-D103 PolarHBondContact NH2-OD1 2.94Å; R28-D103 IonicContact NH2-OD2 3.86Å; L29-D103 HydrophobicContact CB-CB 4.31Å; L29-D103 HydrophobicContact CD1-CB 3.85Å; L29-D103 HydrophobicContact CG-CB 3.85Å; L29-D103 PolarHBondContact N-OD2 3.32Å; I99-D103 HydrophobicContact CG2-CB 3.75Å; H100-D103 PolarHBondContact O-N 3.4Å; P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 PolarHBondContact O-N 2.66Å; D103-K105 PolarHBondContact O-N 3.32Å
104	L	80.6	Confident	73.7	Confident	70 Å²	70	88.2 Å²	88.2	37%	0.366	50%	0.496	S	S	.	.	S	Bend	trans	-67.9	126.7	172.4	-68.6	178.3	0	0	0	109.7	I99 H100	I99-L104 HydrophobicContact CB-CD2 3.77Å; I99-L104 HydrophobicContact CB-CG 4.43Å; I99-L104 HydrophobicContact CG2-CD2 3.77Å; I99-L104 HydrophobicContact CG2-CG 4.1Å; H100-L104 PolarHBondContact O-N 3.36Å
105	K	73.3	Confident	71.2	Confident	184 Å²	184	94.6 Å²	94.6	80%	0.8	53%	0.525	S	S	*	.			trans	-66.6	135.7	165.1	-162.4	170.1	178	-170.4	0	107.2	D103 E107	D103-K105 PolarHBondContact O-N 3.32Å; K105-E107 PolarHBondContact O-N 3.14Å
106	P	59.4	Low	68.7	Low	114 Å²	114	98.7 Å²	98.7	74%	0.74	55%	0.546	S	S	*	.			trans	-65.3	97.1	-179.1	25.6	-33.6	0	0	0	109.9	N108	P106-N108 PolarHBondContact O-N 3.02Å
107	E	58.9	Low	66.4	Low	134 Å²	134	103.4 Å²	103.4	63%	0.626	57%	0.572	S	S	*	*			trans	-89	34.5	170.6	72.7	-172.8	147.5	0	0	111.4	K105 G109	K105-E107 PolarHBondContact O-N 3.14Å; E107-G109 PolarHBondContact O-N 2.84Å
108	N	46.4	Very low	64	Low	137 Å²	137	107.4 Å²	107.4	73%	0.733	60%	0.596	S	S	*	*			trans	-81.9	107.9	171.2	-68.3	-16.5	0	0	0	108.1	P106 S110	P106-N108 PolarHBondContact O-N 3.02Å; N108-S110 PolarHBondContact O-N 3.23Å
109	G	50.5	Low	61.6	Low	87 Å²	87	110.4 Å²	110.4	90%	0.897	62%	0.619	S	S	*	*			trans	-61.7	65.4	169	0	0	0	0	0	113.6	E107	E107-G109 PolarHBondContact O-N 2.84Å
110	S	45.3	Very low	59.6	Low	96 Å²	96	119.3 Å²	119.3	67%	0.671	66%	0.658	S	S	*	*			trans	-92.1	105.8	153.9	55.1	0	0	0	0	107.7	N108 D112	N108-S110 PolarHBondContact O-N 3.23Å; S110-D112 VanDerWaalsContact C-N 3.3Å; S110-D112 PolarHBondContact O-N 2.79Å
111	K	47.3	Very low	57.8	Low	210 Å²	210	120.9 Å²	120.9	91%	0.913	68%	0.676	S	S	*	*			trans	-55.9	98	158.8	-72	178.5	177.9	175.3	0	108.1
112	D	51.4	Low	56.2	Low	113 Å²	113	122.7 Å²	122.7	60%	0.604	69%	0.689	S	S	*	*			trans	-120.5	110.6	158.6	-157.3	-68.9	0	0	0	107.7	S110 S114	S110-D112 VanDerWaalsContact C-N 3.3Å; S110-D112 PolarHBondContact O-N 2.79Å; D112-S114 PolarHBondContact O-N 3Å; D112-S114 PolarHBondContact OD1-OG 3.44Å
113	P	52.7	Low	54.3	Low	134 Å²	134	127.6 Å²	127.6	87%	0.87	69%	0.694	S	S	*	*			trans	-83.4	60.1	-177.4	36.1	-33.9	0	0	0	109.5
114	S	47.1	Very low	53	Low	76 Å²	76	129.2 Å²	129.2	53%	0.531	71%	0.708	S	S	.	*			trans	-158.2	75.3	178	73	0	0	0	0	113.7	D112	D112-S114 PolarHBondContact O-N 3Å; D112-S114 PolarHBondContact OD1-OG 3.44Å
115	K	43.2	Very low	52.1	Low	188 Å²	188	135.4 Å²	135.4	82%	0.817	73%	0.728	S	S	*	*			trans	-174.1	102.9	139.5	-97.1	152.8	-151	-176.4	0	109.3	D117	K115-D117 PolarHBondContact O-N 2.59Å
116	H	43.8	Very low	51.8	Low	166 Å²	166	136.2 Å²	136.2	77%	0.769	73%	0.726	S	S	*	*			trans	-69.6	82.3	165	-164.7	-90.6	0	0	0	107.2	T118	H116-T118 PolarHBondContact ND1-OG1 3.02Å; H116-T118 PolarHBondContact O-N 2.93Å; H116-T118 PolarHBondContact O-OG1 2.88Å
117	D	47.6	Very low	52.4	Low	146 Å²	146	134 Å²	134	78%	0.781	71%	0.707	S	S	*	*			trans	-65.5	90.6	161.1	-76.6	-40.2	0	0	0	106.3	K115 C119	K115-D117 PolarHBondContact O-N 2.59Å; D117-C119 VanDerWaalsContact C-N 3.27Å; D117-C119 PolarHBondContact O-N 3.19Å
118	T	44.7	Very low	53	Low	85 Å²	85	133 Å²	133	52%	0.521	71%	0.705	S	S	.	*			trans	-59.3	96.6	177.3	-58.2	0	0	0	0	106.1	H116 K120	H116-T118 PolarHBondContact ND1-OG1 3.02Å; H116-T118 PolarHBondContact O-N 2.93Å; H116-T118 PolarHBondContact O-OG1 2.88Å; T118-K120 HydrophobicContact CG2-CG 4.13Å; T118-K120 PolarHBondContact O-N 3.06Å
119	C	46.2	Very low	54.4	Low	100 Å²	100	130.3 Å²	130.3	68%	0.676	70%	0.695	S	S	*	*			trans	-55.7	88.7	161.4	54.2	0	0	0	0	107.5	D117 S121	D117-C119 VanDerWaalsContact C-N 3.27Å; D117-C119 PolarHBondContact O-N 3.19Å; C119-S121 PolarHBondContact O-N 3.4Å
120	K	52.7	Low	55.9	Low	191 Å²	191	130.9 Å²	130.9	83%	0.83	68%	0.677	S	S	*	*	S	Bend	trans	-72.1	60.8	162.6	-74.8	-175.1	179.9	164.3	0	108.4	T118	T118-K120 HydrophobicContact CG2-CG 4.13Å; T118-K120 PolarHBondContact O-N 3.06Å
121	S	57.1	Low	57.7	Low	98 Å²	98	130.5 Å²	130.5	69%	0.685	67%	0.666	S	S	*	*	S	Bend	trans	-167.3	49.8	170.2	-142.1	0	0	0	0	113.1	C119	C119-S121 PolarHBondContact O-N 3.4Å
122	C	55.3	Low	59.5	Low	117 Å²	117	122.4 Å²	122.4	79%	0.791	64%	0.643	S	S	*	*	S	Bend	trans	-146.7	-8.5	168.3	-91.8	0	0	0	0	116.4
123	W	49.5	Very low	61.2	Low	195 Å²	195	120.1 Å²	120.1	74%	0.739	64%	0.639	S	S	*	*	S	Bend	trans	-108.7	-22.8	171.3	-159.4	-16.9	0	0	0	112.7	Y125 W126 I127	W123-Y125 PolarHBondContact O-N 3.42Å; W123-Y125 VanDerWaalsContact O-N 3.09Å; W123-W126 PolarHBondContact O-N 2.83Å; W123-W126 VanDerWaalsContact O-N 3.14Å; W123-I127 HydrophobicContact CB-CD1 4.3Å; W123-I127 VanDerWaalsContact CD1-CD1 3.44Å; W123-I127 HydrophobicContact CD2-CD1 4.33Å; W123-I127 HydrophobicContact CG-CD1 3.74Å; W123-I127 HydrophobicContact CG-CG1 4.34Å; W123-I127 PolarHBondContact O-N 3.27Å
124	S	61.1	Low	62.9	Low	72 Å²	72	118.4 Å²	118.4	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-62.8	-24.7	-177.2	-70.9	0	0	0	0	114.2	W126 I127 L128	S124-W126 VanDerWaalsContact C-N 3.3Å; S124-W126 PolarHBondContact O-N 3.29Å; S124-I127 PolarHBondContact O-N 3.03Å; S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 VanDerWaalsContact O-CG 3.26Å; S124-L128 WeakPolarHBondContact O-CG 3.47Å; S124-L128 PolarHBondContact O-N 3.36Å
125	Y	60.9	Low	64.9	Low	200 Å²	200	120.3 Å²	120.3	78%	0.784	63%	0.63	S	S	*	*	H	α-helix	trans	-74.6	-16.6	179.5	-110.9	-88.2	0	0	0	114.6	W123 P129	W123-Y125 PolarHBondContact O-N 3.42Å; W123-Y125 VanDerWaalsContact O-N 3.09Å; Y125-P129 VanDerWaalsContact O-CD 3.29Å; Y125-P129 WeakPolarHBondContact O-CD 3.42Å
126	W	66.1	Low	67.1	Low	202 Å²	202	117.2 Å²	117.2	77%	0.765	62%	0.622	S	S	*	*	H	α-helix	trans	-95	-26.3	168.2	-99.9	35.4	0	0	0	112.7	W123 S124 P129 I130	W123-W126 PolarHBondContact O-N 2.83Å; W123-W126 VanDerWaalsContact O-N 3.14Å; S124-W126 VanDerWaalsContact C-N 3.3Å; S124-W126 PolarHBondContact O-N 3.29Å; W126-P129 WeakPolarHBondContact O-CD 3.27Å; W126-P129 WeakPolarHBondContact O-CG 3.21Å; W126-I130 VanDerWaalsContact O-CD1 3.23Å; W126-I130 WeakPolarHBondContact O-CD1 3.5Å; W126-I130 VanDerWaalsContact O-CG1 3.24Å; W126-I130 WeakPolarHBondContact O-CG1 3.38Å
127	I	72.6	Confident	69.3	Low	66 Å²	66	111.1 Å²	111.1	34%	0.338	60%	0.603	S	S	.	*	H	α-helix	trans	-79.3	-37.1	-178.5	-64.7	166.9	0	0	0	111.7	W123 S124 I130 I131	W123-I127 HydrophobicContact CB-CD1 4.3Å; W123-I127 VanDerWaalsContact CD1-CD1 3.44Å; W123-I127 HydrophobicContact CD2-CD1 4.33Å; W123-I127 HydrophobicContact CG-CD1 3.74Å; W123-I127 HydrophobicContact CG-CG1 4.34Å; W123-I127 PolarHBondContact O-N 3.27Å; S124-I127 PolarHBondContact O-N 3.03Å; I127-I130 PolarHBondContact O-N 3.31Å; I127-I131 HydrophobicContact CG2-CD1 3.45Å; I127-I131 VanDerWaalsContact CG2-CD1 3.45Å; I127-I131 HydrophobicContact CG2-CG1 3.85Å; I127-I131 WeakPolarHBondContact O-CG1 3.47Å; I127-I131 PolarHBondContact O-N 3.02Å
128	L	72.1	Confident	71.3	Confident	113 Å²	113	111.8 Å²	111.8	59%	0.592	60%	0.6	S	S	*	*	H	α-helix	trans	-57	-47.5	177.8	-73.5	169.7	0	0	0	114.2	S124 I130 G132	S124-L128 WeakPolarHBondContact O-CB 3.45Å; S124-L128 VanDerWaalsContact O-CG 3.26Å; S124-L128 WeakPolarHBondContact O-CG 3.47Å; S124-L128 PolarHBondContact O-N 3.36Å; L128-I130 VanDerWaalsContact C-N 3.32Å; L128-I130 PolarHBondContact O-N 3.33Å; L128-G132 PolarHBondContact O-N 3Å; L128-G132 VanDerWaalsContact O-N 3.09Å
129	P	76.2	Confident	73.3	Confident	81 Å²	81	113.1 Å²	113.1	53%	0.526	60%	0.603	S	S	.	*	H	α-helix	trans	-66.1	-33.1	175.1	23.9	-32.8	0	0	0	112.7	Y125 W126 G132 A133	Y125-P129 VanDerWaalsContact O-CD 3.29Å; Y125-P129 WeakPolarHBondContact O-CD 3.42Å; W126-P129 WeakPolarHBondContact O-CD 3.27Å; W126-P129 WeakPolarHBondContact O-CG 3.21Å; P129-G132 PolarHBondContact O-N 3.17Å; P129-A133 PolarHBondContact O-N 3.4Å
130	I	80.9	Confident	75.4	Confident	100 Å²	100	116 Å²	116	51%	0.513	60%	0.601	S	S	.	*	H	α-helix	trans	-69.3	-44.7	178.4	-64.1	170.7	0	0	0	111.1	W126 I127 L128 G132 A133 V134	W126-I130 VanDerWaalsContact O-CD1 3.23Å; W126-I130 WeakPolarHBondContact O-CD1 3.5Å; W126-I130 VanDerWaalsContact O-CG1 3.24Å; W126-I130 WeakPolarHBondContact O-CG1 3.38Å; I127-I130 PolarHBondContact O-N 3.31Å; L128-I130 VanDerWaalsContact C-N 3.32Å; L128-I130 PolarHBondContact O-N 3.33Å; I130-G132 VanDerWaalsContact C-N 3.31Å; I130-G132 PolarHBondContact O-N 3.08Å; I130-A133 PolarHBondContact O-N 3.08Å; I130-V134 WeakPolarHBondContact O-CG2 3.4Å; I130-V134 PolarHBondContact O-N 3.43Å
131	I	83.8	Confident	77.1	Confident	87 Å²	87	115.7 Å²	115.7	45%	0.446	60%	0.595	S	S	.	*	H	α-helix	trans	-61.8	-42	176.3	-67.9	174.3	0	0	0	110.3	I127 V134 L135	I127-I131 HydrophobicContact CG2-CD1 3.45Å; I127-I131 VanDerWaalsContact CG2-CD1 3.45Å; I127-I131 HydrophobicContact CG2-CG1 3.85Å; I127-I131 WeakPolarHBondContact O-CG1 3.47Å; I127-I131 PolarHBondContact O-N 3.02Å; I131-V134 PolarHBondContact O-N 3.38Å; I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CG 3.42Å; I131-L135 PolarHBondContact O-N 3.49Å
132	G	85	Confident	78.7	Confident	40 Å²	40	117.2 Å²	117.2	41%	0.412	59%	0.586	S	S	.	*	H	α-helix	trans	-59	-46.3	175.7	0	0	0	0	0	112.8	L128 P129 I130 V134 L135 L136	L128-G132 PolarHBondContact O-N 3Å; L128-G132 VanDerWaalsContact O-N 3.09Å; P129-G132 PolarHBondContact O-N 3.17Å; I130-G132 VanDerWaalsContact C-N 3.31Å; I130-G132 PolarHBondContact O-N 3.08Å; G132-V134 PolarHBondContact O-N 3.49Å; G132-L135 PolarHBondContact O-N 3.43Å; G132-L136 WeakPolarHBondContact O-CB 3.5Å; G132-L136 PolarHBondContact O-N 3.4Å
133	A	86.3	Confident	80.3	Confident	65 Å²	65	119.4 Å²	119.4	54%	0.537	58%	0.579	S	S	.	*	H	α-helix	trans	-63.8	-40.2	177.8	0	0	0	0	0	112.7	P129 I130 G137	P129-A133 PolarHBondContact O-N 3.4Å; I130-A133 PolarHBondContact O-N 3.08Å; A133-G137 PolarHBondContact O-N 3.34Å
134	V	89.6	Confident	81.9	Confident	98 Å²	98	112.3 Å²	112.3	59%	0.594	56%	0.557	S	S	*	*	H	α-helix	trans	-66.3	-45	177.4	173	0	0	0	0	111.3	I130 I131 G132 G137 F138	I130-V134 WeakPolarHBondContact O-CG2 3.4Å; I130-V134 PolarHBondContact O-N 3.43Å; I131-V134 PolarHBondContact O-N 3.38Å; G132-V134 PolarHBondContact O-N 3.49Å; V134-G137 PolarHBondContact O-N 3.03Å; V134-F138 WeakPolarHBondContact O-CB 3.47Å; V134-F138 PolarHBondContact O-N 2.99Å
135	L	88.9	Confident	82.8	Confident	116 Å²	116	112.3 Å²	112.3	61%	0.607	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-43.6	177.2	-74.9	172.8	0	0	0	112	I131 G132 G137 F138 L139	I131-L135 HydrophobicContact CG2-CD1 3.92Å; I131-L135 HydrophobicContact CG2-CG 4.38Å; I131-L135 WeakPolarHBondContact O-CG 3.42Å; I131-L135 PolarHBondContact O-N 3.49Å; G132-L135 PolarHBondContact O-N 3.43Å; L135-G137 VanDerWaalsContact C-N 3.35Å; L135-G137 PolarHBondContact O-N 3.38Å; L135-F138 PolarHBondContact O-N 3.03Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 PolarHBondContact O-N 2.95Å
136	L	89.5	Confident	83.4	Confident	124 Å²	124	108.7 Å²	108.7	65%	0.649	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-40.6	177.7	-172.3	62.6	0	0	0	111.6	G132 L139 Y140	G132-L136 WeakPolarHBondContact O-CB 3.5Å; G132-L136 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 2.9Å
137	G	90.1	Very high	83.7	Confident	37 Å²	37	103 Å²	103	38%	0.381	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-41.7	174.6	0	0	0	0	0	113	A133 V134 L135 Y140 R141	A133-G137 PolarHBondContact O-N 3.34Å; V134-G137 PolarHBondContact O-N 3.03Å; L135-G137 VanDerWaalsContact C-N 3.35Å; L135-G137 PolarHBondContact O-N 3.38Å; G137-Y140 PolarHBondContact O-N 3.19Å; G137-R141 WeakPolarHBondContact O-CB 3.45Å; G137-R141 PolarHBondContact O-N 3.3Å
138	F	89.1	Confident	83	Confident	160 Å²	160	108.5 Å²	108.5	70%	0.702	56%	0.56	S	S	*	*	H	α-helix	trans	-66	-41.4	177.3	-156.9	-92.2	0	0	0	111.6	V134 L135 R141 Y142	V134-F138 WeakPolarHBondContact O-CB 3.47Å; V134-F138 PolarHBondContact O-N 2.99Å; L135-F138 PolarHBondContact O-N 3.03Å; F138-R141 WeakPolarHBondContact O-CB 3.21Å; F138-R141 PolarHBondContact O-N 3.22Å; F138-Y142 PolarHBondContact O-N 3.29Å
139	L	87.1	Confident	82.5	Confident	114 Å²	114	108.2 Å²	108.2	60%	0.597	57%	0.568	S	S	*	*	H	α-helix	trans	-65.7	-40.4	175.7	-168.8	65.8	0	0	0	111.8	L135 L136 Y142 Y143	L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 PolarHBondContact O-N 2.95Å; L136-L139 PolarHBondContact O-N 3.01Å; L139-Y142 PolarHBondContact O-N 3.42Å; L139-Y143 WeakPolarHBondContact O-CB 3.33Å; L139-Y143 PolarHBondContact O-N 3.1Å
140	Y	88.9	Confident	81.6	Confident	160 Å²	160	113.2 Å²	113.2	63%	0.627	60%	0.604	S	S	*	*	H	α-helix	trans	-64.4	-40.5	174.6	-175	-102.9	0	0	0	111.9	L136 G137 Y143 T144	L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 2.9Å; G137-Y140 PolarHBondContact O-N 3.19Å; Y140-Y143 PolarHBondContact O-N 3.49Å; Y140-T144 HydrophobicContact CD1-CG2 4.27Å; Y140-T144 HydrophobicContact CD2-CG2 4.42Å; Y140-T144 HydrophobicContact CE1-CG2 3.89Å; Y140-T144 HydrophobicContact CE2-CG2 4.05Å; Y140-T144 WeakPolarHBondContact O-CB 3.43Å; Y140-T144 VanDerWaalsContact O-CG2 3.31Å; Y140-T144 WeakPolarHBondContact O-CG2 3.42Å; Y140-T144 PolarHBondContact O-N 3.34Å; Y140-T144 PolarHBondContact O-OG1 2.84Å
141	R	88.2	Confident	81.6	Confident	185 Å²	185	113.9 Å²	113.9	70%	0.698	61%	0.609	S	S	*	*	H	α-helix	trans	-61.1	-41.5	172.2	-99.9	-80.7	176.8	91.1	-0.9	112.2	G137 F138 T144 S145	G137-R141 WeakPolarHBondContact O-CB 3.45Å; G137-R141 PolarHBondContact O-N 3.3Å; F138-R141 WeakPolarHBondContact O-CB 3.21Å; F138-R141 PolarHBondContact O-N 3.22Å; R141-T144 WeakPolarHBondContact CA-OG1 3.36Å; R141-T144 PolarHBondContact O-OG1 3.15Å; R141-S145 WeakPolarHBondContact O-CB 3.44Å; R141-S145 PolarHBondContact O-N 3.18Å; R141-S145 VanDerWaalsContact O-N 3.12Å; R141-S145 PolarHBondContact O-OG 3.19Å
142	Y	90.8	Very high	81.5	Confident	130 Å²	130	115.3 Å²	115.3	51%	0.51	62%	0.618	S	S	.	*	H	α-helix	trans	-65.6	-50.8	176.6	179.4	-92.7	0	0	0	111.3	F138 L139 T144 S145 E146	F138-Y142 PolarHBondContact O-N 3.29Å; L139-Y142 PolarHBondContact O-N 3.42Å; Y142-T144 VanDerWaalsContact C-N 3.34Å; Y142-T144 PolarHBondContact O-N 2.95Å; Y142-S145 WeakPolarHBondContact O-CB 3.49Å; Y142-S145 PolarHBondContact O-N 2.93Å; Y142-E146 HydrophobicContact CE1-CG 4.05Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.35Å; Y142-E146 PolarHBondContact O-N 2.91Å; Y142-E146 PolarHBondContact OH-OE2 3.07Å
143	Y	89.3	Confident	81.3	Confident	162 Å²	162	119.5 Å²	119.5	64%	0.635	63%	0.629	S	S	*	*	H	α-helix	trans	-57.9	-44.4	178.8	179.2	-101.5	0	0	0	112.6	L139 Y140 S145 E146 S147	L139-Y143 WeakPolarHBondContact O-CB 3.33Å; L139-Y143 PolarHBondContact O-N 3.1Å; Y140-Y143 PolarHBondContact O-N 3.49Å; Y143-S145 VanDerWaalsContact C-N 3.25Å; Y143-S145 PolarHBondContact O-N 2.99Å; Y143-E146 PolarHBondContact O-N 3.11Å; Y143-S147 PolarHBondContact O-N 3.01Å
144	T	83.1	Confident	81	Confident	46 Å²	46	122.7 Å²	122.7	28%	0.282	63%	0.634	S	S	.	*	H	α-helix	trans	-71.5	-19.4	177.7	52.7	0	0	0	0	113.5	Y140 R141 Y142 S147	Y140-T144 HydrophobicContact CD1-CG2 4.27Å; Y140-T144 HydrophobicContact CD2-CG2 4.42Å; Y140-T144 HydrophobicContact CE1-CG2 3.89Å; Y140-T144 HydrophobicContact CE2-CG2 4.05Å; Y140-T144 WeakPolarHBondContact O-CB 3.43Å; Y140-T144 VanDerWaalsContact O-CG2 3.31Å; Y140-T144 WeakPolarHBondContact O-CG2 3.42Å; Y140-T144 PolarHBondContact O-N 3.34Å; Y140-T144 PolarHBondContact O-OG1 2.84Å; R141-T144 WeakPolarHBondContact CA-OG1 3.36Å; R141-T144 PolarHBondContact O-OG1 3.15Å; Y142-T144 VanDerWaalsContact C-N 3.34Å; Y142-T144 PolarHBondContact O-N 2.95Å; T144-S147 WeakPolarHBondContact CA-OG 3.24Å; T144-S147 PolarHBondContact O-OG 3.27Å
145	S	79.9	Confident	80.4	Confident	72 Å²	72	124.3 Å²	124.3	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-78.2	-39.3	173	-58.8	0	0	0	0	111.3	R141 Y142 Y143 K148	R141-S145 WeakPolarHBondContact O-CB 3.44Å; R141-S145 PolarHBondContact O-N 3.18Å; R141-S145 VanDerWaalsContact O-N 3.12Å; R141-S145 PolarHBondContact O-OG 3.19Å; Y142-S145 WeakPolarHBondContact O-CB 3.49Å; Y142-S145 PolarHBondContact O-N 2.93Å; Y143-S145 VanDerWaalsContact C-N 3.25Å; Y143-S145 PolarHBondContact O-N 2.99Å; S145-K148 PolarHBondContact O-N 2.94Å
146	E	74.8	Confident	79.9	Confident	125 Å²	125	124.8 Å²	124.8	58%	0.584	64%	0.639	S	S	*	*	H	α-helix	trans	-70	-36	174.8	-69.3	-143.4	108.3	0	0	112.5	Y142 Y143 K148 S149	Y142-E146 HydrophobicContact CE1-CG 4.05Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.35Å; Y142-E146 PolarHBondContact O-N 2.91Å; Y142-E146 PolarHBondContact OH-OE2 3.07Å; Y143-E146 PolarHBondContact O-N 3.11Å; E146-K148 PolarHBondContact O-N 3.42Å; E146-S149 PolarHBondContact O-N 2.81Å
147	S	71.7	Confident	79.2	Confident	82 Å²	82	124.9 Å²	124.9	57%	0.573	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-5.3	177.2	67.9	0	0	0	0	114.4	Y143 T144	Y143-S147 PolarHBondContact O-N 3.01Å; T144-S147 WeakPolarHBondContact CA-OG 3.24Å; T144-S147 PolarHBondContact O-OG 3.27Å
148	K	57.4	Low	78.4	Confident	182 Å²	182	131.6 Å²	131.6	79%	0.791	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	7.4	-178	-155.4	170	175.2	-172.9	0	113.6	S145 E146	S145-K148 PolarHBondContact O-N 2.94Å; E146-K148 PolarHBondContact O-N 3.42Å
149	S	61.2	Low	77.5	Confident	107 Å²	107	129.3 Å²	129.3	75%	0.748	65%	0.654	S	S	*	*			trans	-112.3	24.4	177.9	-65.9	0	0	0	0	114.6	E146	E146-S149 PolarHBondContact O-N 2.81Å
150	S	57.2	Low	76.6	Confident	186 Å²	186	130.6 Å²	130.6	100%	1.301	66%	0.659	S	S	*	*			trans	-117.1	0	163.8	-73.4	0	0	0	0	111.4

Retrieved 150 of 150 residues in 40.8 ms (Link to these results)

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