A0A077ZL64_TRITR Loading...

Glutaredoxin-related protein 5, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZL64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077ZL64_TRITR|A0A077ZL64
MWRLPMPSKYSGLLSVYSLLKNFSTASALTKHQIEALVKSNKVVLFMKGVPEQPMCGFSNLAVQILKYHGLSFKTFNVLEDESLRQGIKDYSDWPTIPQLFIDGEFVGGADIVLELHKNGQLVEILRKAGIKSSADSA
					

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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	48.2	Very low	51.8	Low	232 Å²	232	171.2 Å²	171.2	100%	1.143	85%	0.845	S	S	*	*				0	77.2	0	-167.3	176.7	-167.5	0	0	107.6
2	W	41.4	Very low	51.5	Low	248 Å²	248	162.1 Å²	162.1	94%	0.939	83%	0.827	S	S	*	*			trans	-108.2	108.1	-173	-70.3	99.9	0	0	0	109.2
3	R	44.5	Very low	51.5	Low	244 Å²	244	157.2 Å²	157.2	92%	0.921	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-86.9	118.2	164.6	-78	-174.3	179.5	-128.2	2	107.4
4	L	54.8	Low	51.1	Low	155 Å²	155	156.3 Å²	156.3	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-100.6	140.4	161.3	-70.2	177.2	0	0	0	109.3
5	P	57.1	Low	51.3	Low	115 Å²	115	151.3 Å²	151.3	75%	0.747	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83.1	136	-172	32.9	-30.2	0	0	0	111.2
6	M	58.1	Low	51.5	Low	185 Å²	185	146.4 Å²	146.4	91%	0.911	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.3	128.6	171.8	-76.7	-73.6	-172.8	0	0	110.4
7	P	54.3	Low	51.1	Low	95 Å²	95	147.6 Å²	147.6	62%	0.617	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-78.3	123.6	175.3	28.6	-30.6	0	0	0	111.8	K9	P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.3Å
8	S	58	Low	51.1	Low	127 Å²	127	144.4 Å²	144.4	89%	0.888	75%	0.75	S	S	*	*	S	Bend	trans	-71.1	73.5	171.6	-178.9	0	0	0	0	111.6
9	K	53.5	Low	51.4	Low	184 Å²	184	143.6 Å²	143.6	80%	0.8	75%	0.746	S	S	*	*			trans	-138.4	5.2	176.2	-75	-162.3	176.3	-172.7	0	116.9	P7	P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.3Å
10	Y	45.5	Very low	51.6	Low	186 Å²	186	143.4 Å²	143.4	73%	0.729	75%	0.745	S	S	*	*			trans	-110.9	60.5	-179.9	-62.3	-73.8	0	0	0	112.7	L13	Y10-L13 HydrophobicContact CD1-CD1 3.5Å; Y10-L13 VanDerWaalsContact CD1-CD1 3.5Å; Y10-L13 HydrophobicContact CD1-CG 4.33Å; Y10-L13 HydrophobicContact CE1-CD1 4.16Å; Y10-L13 HydrophobicContact CG-CD1 4.24Å
11	S	54.5	Low	51.6	Low	112 Å²	112	143.3 Å²	143.3	78%	0.783	74%	0.739	S	S	*	*	S	Bend	trans	-90.7	-13	166.3	-172.1	0	0	0	0	112.2
12	G	47.8	Very low	51.6	Low	62 Å²	62	139.6 Å²	139.6	64%	0.639	72%	0.724	S	S	*	*	S	Bend	trans	-91.3	-5.6	-175	0	0	0	0	0	116.8
13	L	52	Low	52	Low	98 Å²	98	134.9 Å²	134.9	51%	0.513	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.3	-1.3	-174.5	-75.6	170.7	0	0	0	114.5	Y10 V16	Y10-L13 HydrophobicContact CD1-CD1 3.5Å; Y10-L13 VanDerWaalsContact CD1-CD1 3.5Å; Y10-L13 HydrophobicContact CD1-CG 4.33Å; Y10-L13 HydrophobicContact CE1-CD1 4.16Å; Y10-L13 HydrophobicContact CG-CD1 4.24Å; L13-V16 HydrophobicContact CD2-CG2 4.01Å; L13-V16 WeakPolarHBondContact O-CG2 3.26Å
14	L	46.4	Very low	52.1	Low	145 Å²	145	129.3 Å²	129.3	76%	0.759	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-14.8	175.7	-66.1	174.5	0	0	0	113.3
15	S	53.5	Low	51.6	Low	81 Å²	81	125.9 Å²	125.9	57%	0.566	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-37.4	178.7	-173.2	0	0	0	0	113	Y17 S18 L19	S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.05Å; S15-S18 WeakPolarHBondContact O-CB 3.37Å; S15-S18 PolarHBondContact O-N 3.36Å; S15-S18 VanDerWaalsContact O-N 3.16Å; S15-L19 PolarHBondContact O-N 3.11Å
16	V	55.2	Low	51.6	Low	73 Å²	73	125.2 Å²	125.2	44%	0.442	70%	0.699	S	S	.	*	H	α-helix	trans	-70	-27.9	177.3	-82.2	0	0	0	0	113.1	L13 S18 L19 L20	L13-V16 HydrophobicContact CD2-CG2 4.01Å; L13-V16 WeakPolarHBondContact O-CG2 3.26Å; V16-S18 PolarHBondContact O-N 3.21Å; V16-L19 PolarHBondContact O-N 2.93Å; V16-L20 PolarHBondContact O-N 3.42Å; V16-L20 VanDerWaalsContact O-N 3.13Å
17	Y	43.8	Very low	51.8	Low	167 Å²	167	120.1 Å²	120.1	66%	0.655	68%	0.681	S	S	*	*	H	α-helix	trans	-70.8	-17.7	173.2	-103.3	-89.1	0	0	0	113.7	S15 K21	S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.05Å; Y17-K21 WeakPolarHBondContact O-CG 3.26Å
18	S	52	Low	52.7	Low	90 Å²	90	118.6 Å²	118.6	63%	0.629	68%	0.676	S	S	*	*	H	α-helix	trans	-78.4	-35.6	169.7	-171.3	0	0	0	0	111.5	S15 V16 K21	S15-S18 WeakPolarHBondContact O-CB 3.37Å; S15-S18 PolarHBondContact O-N 3.36Å; S15-S18 VanDerWaalsContact O-N 3.16Å; V16-S18 PolarHBondContact O-N 3.21Å; S18-K21 PolarHBondContact O-N 3.12Å
19	L	55.4	Low	53.9	Low	130 Å²	130	114.2 Å²	114.2	68%	0.681	64%	0.643	S	S	*	*	H	α-helix	trans	-73.5	-25.3	177.4	-88.7	140.6	0	0	0	114.1	S15 V16	S15-L19 PolarHBondContact O-N 3.11Å; V16-L19 PolarHBondContact O-N 2.93Å
20	L	56.5	Low	55.5	Low	138 Å²	138	109 Å²	109	72%	0.723	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-2.6	175.2	-65.7	170.5	0	0	0	113.3	V16	V16-L20 PolarHBondContact O-N 3.42Å; V16-L20 VanDerWaalsContact O-N 3.13Å
21	K	51.3	Low	57.7	Low	142 Å²	142	107.3 Å²	107.3	62%	0.617	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	28.3	171.4	-79.9	-175.2	179.6	-173.6	0	112.9	Y17 S18 F23	Y17-K21 WeakPolarHBondContact O-CG 3.26Å; S18-K21 PolarHBondContact O-N 3.12Å; K21-F23 HydrophobicContact CG-CD2 4.49Å; K21-F23 PolarHBondContact O-N 3.39Å
22	N	49	Very low	59.5	Low	155 Å²	155	109.6 Å²	109.6	83%	0.829	62%	0.621	S	S	*	*			trans	-69.4	70.7	142.8	-84.5	-21.1	0	0	0	107.2	S24	N22-S24 PolarHBondContact O-N 3.28Å
23	F	49.2	Very low	61.8	Low	149 Å²	149	111.1 Å²	111.1	65%	0.654	61%	0.611	S	S	*	*			trans	-58	106.8	179.8	-140.2	-109.2	0	0	0	105.5	K21 T25	K21-F23 HydrophobicContact CG-CD2 4.49Å; K21-F23 PolarHBondContact O-N 3.39Å; F23-T25 HydrophobicContact CD1-CG2 3.58Å; F23-T25 HydrophobicContact CE1-CG2 3.98Å; F23-T25 PolarHBondContact O-N 2.86Å
24	S	46.6	Very low	63.9	Low	127 Å²	127	106.5 Å²	106.5	89%	0.888	59%	0.587	S	S	*	*			trans	-62.7	73.9	161.6	-175.9	0	0	0	0	107.5	N22	N22-S24 PolarHBondContact O-N 3.28Å
25	T	44.9	Very low	66.3	Low	82 Å²	82	102.1 Å²	102.1	50%	0.503	56%	0.563	S	S	.	*			trans	-92.2	143.5	147.8	42.5	0	0	0	0	105.7	F23 S27	F23-T25 HydrophobicContact CD1-CG2 3.58Å; F23-T25 HydrophobicContact CE1-CG2 3.98Å; F23-T25 PolarHBondContact O-N 2.86Å; T25-S27 PolarHBondContact O-N 3.21Å
26	A	55.4	Low	68.3	Low	102 Å²	102	101.1 Å²	101.1	84%	0.843	56%	0.56	S	S	*	*			trans	-61.4	80.4	165.2	0	0	0	0	0	108.1
27	S	62.9	Low	70.3	Confident	78 Å²	78	99.7 Å²	99.7	55%	0.545	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-85.5	138.2	173	56.8	0	0	0	0	107	T25 L29 S83	T25-S27 PolarHBondContact O-N 3.21Å; S27-L29 PolarHBondContact O-N 3.4Å; S27-S83 WeakPolarHBondContact O-CB 3.47Å; S27-S83 PolarHBondContact O-OG 3.13Å
28	A	73	Confident	72.9	Confident	62 Å²	62	91.8 Å²	91.8	51%	0.512	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-51.4	140.3	173.9	0	0	0	0	0	109.3	T30	A28-T30 PolarHBondContact O-N 2.89Å
29	L	84.5	Confident	75	Confident	36 Å²	36	93.9 Å²	93.9	19%	0.188	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-58.5	132.5	174.8	-76.5	-178.7	0	0	0	108.6	S27 Q33 I34 L37 L84	S27-L29 PolarHBondContact O-N 3.4Å; L29-Q33 HydrophobicContact CB-CB 4.42Å; L29-Q33 HydrophobicContact CD2-CB 4.15Å; L29-Q33 HydrophobicContact CD2-CG 4.5Å; L29-I34 HydrophobicContact CB-CD1 3.89Å; L29-I34 HydrophobicContact CB-CG1 4.11Å; L29-I34 HydrophobicContact CD1-CD1 3.63Å; L29-I34 HydrophobicContact CG-CD1 4.43Å; L29-L37 HydrophobicContact CD1-CD1 4.35Å; L29-L84 HydrophobicContact CD1-CB 3.98Å; L29-L84 HydrophobicContact CD1-CD1 3.56Å; L29-L84 HydrophobicContact CD1-CG 4.41Å
30	T	86.6	Confident	77	Confident	73 Å²	73	90.5 Å²	90.5	45%	0.448	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.7	152.6	176.1	63.6	0	0	0	0	109.7	A28 H32 Q33 I34	A28-T30 PolarHBondContact O-N 2.89Å; T30-H32 PolarHBondContact O-N 3.38Å; T30-H32 VanDerWaalsContact O-N 3.11Å; T30-Q33 WeakPolarHBondContact O-CB 3.38Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.4Å; T30-Q33 PolarHBondContact OG1-N 2.94Å; T30-Q33 PolarHBondContact OG1-OE1 3.37Å; T30-I34 PolarHBondContact O-N 3.41Å
31	K	91.2	Very high	78.9	Confident	151 Å²	151	87.6 Å²	87.6	66%	0.657	49%	0.489	S	S	*	.	H	α-helix	trans	-50.5	-39.1	174.5	-167.2	177.3	-179.6	169.8	0	112.1	Q33 I34 E35 Y91	K31-Q33 PolarHBondContact O-N 3.29Å; K31-I34 PolarHBondContact O-N 3.37Å; K31-E35 WeakPolarHBondContact O-CB 3.44Å; K31-E35 PolarHBondContact O-N 3.14Å; K31-Y91 HydrophobicContact CG-CD2 3.73Å; K31-Y91 HydrophobicContact CG-CE2 4.03Å
32	H	92.9	Very high	81.1	Confident	160 Å²	160	85.9 Å²	85.9	74%	0.741	48%	0.481	S	S	*	.	H	α-helix	trans	-65.1	-34.9	177	-75.3	-70.6	0	0	0	114.2	T30 A36	T30-H32 PolarHBondContact O-N 3.38Å; T30-H32 VanDerWaalsContact O-N 3.11Å; H32-A36 PolarHBondContact O-N 3.1Å; H32-A36 VanDerWaalsContact O-N 3.11Å
33	Q	94.8	Very high	83.5	Confident	94 Å²	94	78.7 Å²	78.7	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-45.2	175.3	-73.7	165.6	-58.8	0	0	110.6	L29 T30 K31 E35 A36 L37	L29-Q33 HydrophobicContact CB-CB 4.42Å; L29-Q33 HydrophobicContact CD2-CB 4.15Å; L29-Q33 HydrophobicContact CD2-CG 4.5Å; T30-Q33 WeakPolarHBondContact O-CB 3.38Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 WeakPolarHBondContact OG1-CG 3.4Å; T30-Q33 PolarHBondContact OG1-N 2.94Å; T30-Q33 PolarHBondContact OG1-OE1 3.37Å; K31-Q33 PolarHBondContact O-N 3.29Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; Q33-E35 PolarHBondContact O-N 3.4Å; Q33-A36 PolarHBondContact O-N 3.25Å; Q33-L37 WeakPolarHBondContact O-CG 3.47Å; Q33-L37 PolarHBondContact O-N 3.33Å; Q33-L37 VanDerWaalsContact O-N 3.09Å
34	I	96.3	Very high	85.9	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-42.7	176.5	-59.7	-63.4	0	0	0	111.2	L29 T30 K31 A36 L37 V38 L84 I88 Y91	L29-I34 HydrophobicContact CB-CD1 3.89Å; L29-I34 HydrophobicContact CB-CG1 4.11Å; L29-I34 HydrophobicContact CD1-CD1 3.63Å; L29-I34 HydrophobicContact CG-CD1 4.43Å; T30-I34 PolarHBondContact O-N 3.41Å; K31-I34 PolarHBondContact O-N 3.37Å; I34-A36 VanDerWaalsContact C-N 3.28Å; I34-A36 PolarHBondContact O-N 2.86Å; I34-L37 HydrophobicContact CD1-CD1 4.32Å; I34-L37 WeakPolarHBondContact O-CA 3.46Å; I34-L37 WeakPolarHBondContact O-CB 3.41Å; I34-L37 PolarHBondContact O-N 2.84Å; I34-V38 HydrophobicContact CG2-CG1 4.37Å; I34-V38 PolarHBondContact O-N 3.4Å; I34-L84 HydrophobicContact CD1-CD1 3.99Å; I34-I88 HydrophobicContact CG2-CD1 3.56Å; I34-Y91 HydrophobicContact CB-CD2 3.84Å; I34-Y91 HydrophobicContact CB-CE2 4.49Å; I34-Y91 HydrophobicContact CB-CG 4.06Å; I34-Y91 HydrophobicContact CG2-CD1 3.74Å; I34-Y91 HydrophobicContact CG2-CD2 3.61Å; I34-Y91 HydrophobicContact CG2-CE1 4.33Å; I34-Y91 HydrophobicContact CG2-CE2 4.22Å; I34-Y91 HydrophobicContact CG2-CG 3.37Å
35	E	96.7	Very high	88.4	Confident	53 Å²	53	65.6 Å²	65.6	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-53.7	-44.3	174.2	-173	74.1	-154.2	0	0	112	K31 Q33 L37 V38 K39 Y91	K31-E35 WeakPolarHBondContact O-CB 3.44Å; K31-E35 PolarHBondContact O-N 3.14Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; Q33-E35 PolarHBondContact O-N 3.4Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.24Å; E35-V38 WeakPolarHBondContact O-CG2 3.36Å; E35-K39 HydrophobicContact CG-CD 4.34Å; E35-K39 WeakPolarHBondContact O-CB 3.28Å; E35-K39 PolarHBondContact O-N 3.45Å; E35-K39 WeakPolarHBondContact OE1-CE 3.3Å; E35-K39 IonicContact OE1-NZ 3.53Å; E35-K39 PolarHBondContact OE1-NZ 2.92Å; E35-Y91 HydrophobicContact CB-CE2 4.19Å; E35-Y91 VanDerWaalsContact CD-OH 3.27Å; E35-Y91 WeakPolarHBondContact OE2-CE2 3.49Å; E35-Y91 VanDerWaalsContact OE2-CZ 3.27Å; E35-Y91 PolarHBondContact OE2-OH 3.03Å
36	A	97.1	Very high	90.9	Very high	61 Å²	61	61.7 Å²	61.7	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-36	176.9	0	0	0	0	0	112.1	H32 Q33 I34 S40	H32-A36 PolarHBondContact O-N 3.1Å; H32-A36 VanDerWaalsContact O-N 3.11Å; Q33-A36 PolarHBondContact O-N 3.25Å; I34-A36 VanDerWaalsContact C-N 3.28Å; I34-A36 PolarHBondContact O-N 2.86Å; A36-S40 WeakPolarHBondContact O-CB 3.49Å; A36-S40 PolarHBondContact O-N 3.04Å
37	L	97.2	Very high	93	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-47.3	177.3	-63.5	179.2	0	0	0	111.8	L29 Q33 I34 E35 K39 S40 F46 F76 L84	L29-L37 HydrophobicContact CD1-CD1 4.35Å; Q33-L37 WeakPolarHBondContact O-CG 3.47Å; Q33-L37 PolarHBondContact O-N 3.33Å; Q33-L37 VanDerWaalsContact O-N 3.09Å; I34-L37 HydrophobicContact CD1-CD1 4.32Å; I34-L37 WeakPolarHBondContact O-CA 3.46Å; I34-L37 WeakPolarHBondContact O-CB 3.41Å; I34-L37 PolarHBondContact O-N 2.84Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.24Å; L37-K39 PolarHBondContact O-N 2.89Å; L37-S40 WeakPolarHBondContact O-CB 3.37Å; L37-S40 PolarHBondContact O-N 3.39Å; L37-S40 VanDerWaalsContact O-N 3.12Å; L37-S40 PolarHBondContact O-OG 3.43Å; L37-F46 HydrophobicContact CB-CZ 4.17Å; L37-F46 HydrophobicContact CD1-CE1 4.33Å; L37-F76 HydrophobicContact CB-CE2 4.17Å; L37-F76 HydrophobicContact CB-CZ 4.18Å; L37-F76 HydrophobicContact CD2-CE1 3.77Å; L37-F76 HydrophobicContact CD2-CZ 3.75Å; L37-F76 HydrophobicContact CG-CZ 4.44Å; L37-L84 HydrophobicContact CD1-CD1 3.62Å
38	V	97.6	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-26.1	179.5	-61.2	0	0	0	0	112.5	I34 E35 F46 I88 Y91 F101	I34-V38 HydrophobicContact CG2-CG1 4.37Å; I34-V38 PolarHBondContact O-N 3.4Å; E35-V38 WeakPolarHBondContact O-CG2 3.36Å; V38-F46 HydrophobicContact CG1-CE2 3.82Å; V38-F46 HydrophobicContact CG1-CZ 4.07Å; V38-I88 HydrophobicContact CG1-CD1 4.45Å; V38-Y91 HydrophobicContact CG1-CE1 4.34Å; V38-Y91 HydrophobicContact CG2-CE1 4.36Å; V38-F101 HydrophobicContact CB-CB 4.35Å; V38-F101 HydrophobicContact CB-CD1 3.98Å; V38-F101 HydrophobicContact CB-CG 4.14Å; V38-F101 HydrophobicContact CG1-CB 4.39Å; V38-F101 HydrophobicContact CG1-CD1 3.62Å; V38-F101 HydrophobicContact CG1-CD2 3.97Å; V38-F101 HydrophobicContact CG1-CE1 3.79Å; V38-F101 HydrophobicContact CG1-CE2 4.14Å; V38-F101 HydrophobicContact CG1-CG 3.72Å; V38-F101 HydrophobicContact CG1-CZ 4.05Å
39	K	96.8	Very high	95.9	Very high	134 Å²	134	53.1 Å²	53.1	58%	0.583	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.5	175.8	-72.7	175.1	171.1	170.7	0	114.4	E35 L37 N41	E35-K39 HydrophobicContact CG-CD 4.34Å; E35-K39 WeakPolarHBondContact O-CB 3.28Å; E35-K39 PolarHBondContact O-N 3.45Å; E35-K39 WeakPolarHBondContact OE1-CE 3.3Å; E35-K39 IonicContact OE1-NZ 3.53Å; E35-K39 PolarHBondContact OE1-NZ 2.92Å; L37-K39 PolarHBondContact O-N 2.89Å; K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.24Å
40	S	96.2	Very high	96.5	Very high	59 Å²	59	53.7 Å²	53.7	41%	0.413	27%	0.274	S	S	.	.	S	Bend	trans	-68.1	-27.3	-178.2	66.4	0	0	0	0	113.1	A36 L37	A36-S40 WeakPolarHBondContact O-CB 3.49Å; A36-S40 PolarHBondContact O-N 3.04Å; L37-S40 WeakPolarHBondContact O-CB 3.37Å; L37-S40 PolarHBondContact O-N 3.39Å; L37-S40 VanDerWaalsContact O-N 3.12Å; L37-S40 PolarHBondContact O-OG 3.43Å
41	N	97.8	Very high	97.1	Very high	78 Å²	78	50.9 Å²	50.9	42%	0.417	26%	0.257	S	S	.	.	S	Bend	trans	-145	155.3	177.7	-71.4	97.2	0	0	0	109.7	K39 V43 V44 K74	K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.24Å; N41-V43 PolarHBondContact O-N 3.49Å; N41-V44 HydrophobicContact CB-CG2 4.02Å; N41-K74 HydrophobicContact CB-CB 3.86Å; N41-K74 VanDerWaalsContact OD1-CB 3.28Å; N41-K74 WeakPolarHBondContact OD1-CB 3.42Å; N41-K74 WeakPolarHBondContact OD1-CG 3.43Å
42	K	97.6	Very high	97.4	Very high	106 Å²	106	50.8 Å²	50.8	46%	0.461	26%	0.258	S	S	.	.	S	Bend	trans	-62.6	-27.6	177.3	-80.7	-159.8	172.3	-166.2	0	114	I102 D103 A129 I131	K42-I102 CarbonylContact O-C 3.54Å; K42-I102 VanDerWaalsContact O-CA 3.3Å; K42-I102 WeakPolarHBondContact O-CA 3.22Å; K42-D103 PolarHBondContact O-N 3.3Å; K42-A129 PolarHBondContact NZ-O 2.79Å; K42-I131 HydrophobicContact CB-CD1 3.95Å; K42-I131 HydrophobicContact CD-CD1 4.19Å; K42-I131 HydrophobicContact CD-CG1 3.95Å
43	V	98.6	Very high	97.7	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.9	176.4	-171.8	0	0	0	0	107.7	N41 L66 F73 K74 L100 F101 I102 I131	N41-V43 PolarHBondContact O-N 3.49Å; V43-L66 HydrophobicContact CG1-CD1 4.48Å; V43-L66 HydrophobicContact CG1-CD2 4.25Å; V43-F73 HydrophobicContact CB-CB 3.76Å; V43-F73 HydrophobicContact CG1-CB 3.56Å; V43-F73 WeakPolarHBondContact O-CA 3.49Å; V43-K74 PolarHBondContact O-N 3.32Å; V43-L100 HydrophobicContact CG1-CD1 3.79Å; V43-F101 WeakPolarHBondContact CA-O 3.03Å; V43-I102 HydrophobicContact CG1-CG1 4.5Å; V43-I131 HydrophobicContact CG2-CD1 3.58Å
44	V	98.7	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131	-179.4	177	0	0	0	0	109.6	N41 F46 K74 F76 F101	N41-V44 HydrophobicContact CB-CG2 4.02Å; V44-F46 HydrophobicContact CG1-CD2 4.13Å; V44-F46 HydrophobicContact CG1-CE2 3.57Å; V44-F46 HydrophobicContact CG1-CZ 4.03Å; V44-K74 CarbonylContact C-O 2.98Å; V44-K74 WeakPolarHBondContact CA-O 3.37Å; V44-K74 HydrophobicContact CG2-CB 4.49Å; V44-F76 HydrophobicContact CG1-CD2 3.62Å; V44-F76 HydrophobicContact CG1-CE2 3.54Å; V44-F101 HydrophobicContact CB-CB 4.35Å; V44-F101 PolarHBondContact N-O 3.3Å; V44-F101 PolarHBondContact O-N 2.89Å
45	L	98.8	Very high	97.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.9	177.3	-179.9	70	0	0	0	110.4	M47 A62 V63 L66 K74 T75 F76 P98 L100	L45-M47 HydrophobicContact CD2-CB 4.28Å; L45-M47 HydrophobicContact CD2-CG 4.47Å; L45-M47 HydrophobicContact CD2-SD 3.95Å; L45-M47 HydrophobicContact CG-CB 4.17Å; L45-A62 HydrophobicContact CD1-CB 4.01Å; L45-A62 HydrophobicContact CD2-CB 4.2Å; L45-V63 HydrophobicContact CD2-CG2 3.81Å; L45-L66 HydrophobicContact CB-CD1 4.24Å; L45-L66 HydrophobicContact CD2-CD1 3.92Å; L45-K74 PolarHBondContact N-O 2.9Å; L45-T75 HydrophobicContact CB-CG2 4.16Å; L45-T75 HydrophobicContact CD2-CG2 4.43Å; L45-T75 VanDerWaalsContact O-CA 3.22Å; L45-T75 WeakPolarHBondContact O-CA 3.5Å; L45-F76 PolarHBondContact O-N 3.47Å; L45-P98 HydrophobicContact CD1-CB 3.89Å; L45-L100 HydrophobicContact CD1-CB 4.3Å; L45-L100 HydrophobicContact CD1-CD1 4.48Å
46	F	98.7	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.2	166.8	-61.6	-96.8	0	0	0	108	L37 V38 V44 F76 V78 L84 I88 P98 Q99 F101	L37-F46 HydrophobicContact CB-CZ 4.17Å; L37-F46 HydrophobicContact CD1-CE1 4.33Å; V38-F46 HydrophobicContact CG1-CE2 3.82Å; V38-F46 HydrophobicContact CG1-CZ 4.07Å; V44-F46 HydrophobicContact CG1-CD2 4.13Å; V44-F46 HydrophobicContact CG1-CE2 3.57Å; V44-F46 HydrophobicContact CG1-CZ 4.03Å; F46-F76 HydrophobicContact CD1-CB 3.77Å; F46-F76 HydrophobicContact CD1-CD2 4.25Å; F46-F76 HydrophobicContact CD1-CG 4.34Å; F46-F76 HydrophobicContact CE1-CB 3.99Å; F46-F76 AromaticContact CE1-CD2 3.82Å; F46-F76 HydrophobicContact CE1-CD2 3.82Å; F46-F76 HydrophobicContact CE1-CG 4.08Å; F46-F76 AromaticContact CZ-CD2 4Å; F46-F76 HydrophobicContact CZ-CD2 4Å; F46-V78 HydrophobicContact CB-CG1 4.01Å; F46-V78 HydrophobicContact CD1-CG1 4.4Å; F46-L84 HydrophobicContact CD1-CD1 4.14Å; F46-L84 HydrophobicContact CD1-CD2 4.49Å; F46-L84 HydrophobicContact CD1-CG 4.35Å; F46-L84 HydrophobicContact CE1-CD1 3.75Å; F46-L84 HydrophobicContact CE1-CG 4.45Å; F46-I88 HydrophobicContact CB-CG1 4.26Å; F46-I88 HydrophobicContact CD1-CB 4.23Å; F46-I88 HydrophobicContact CD1-CD1 4.25Å; F46-I88 HydrophobicContact CD1-CG1 3.93Å; F46-I88 HydrophobicContact CD2-CD1 3.72Å; F46-I88 HydrophobicContact CD2-CG1 3.72Å; F46-I88 HydrophobicContact CE1-CB 4.49Å; F46-I88 HydrophobicContact CE1-CD1 4.02Å; F46-I88 HydrophobicContact CE1-CG1 4.19Å; F46-I88 HydrophobicContact CE2-CD1 3.47Å; F46-I88 VanDerWaalsContact CE2-CD1 3.47Å; F46-I88 HydrophobicContact CE2-CG1 4.01Å; F46-I88 HydrophobicContact CG-CB 4.41Å; F46-I88 HydrophobicContact CG-CD1 4.12Å; F46-I88 HydrophobicContact CG-CG1 3.7Å; F46-I88 HydrophobicContact CZ-CD1 3.63Å; F46-I88 HydrophobicContact CZ-CG1 4.23Å; F46-P98 CarbonylContact O-C 3.52Å; F46-P98 WeakPolarHBondContact O-CA 3.1Å; F46-P98 VanDerWaalsContact O-CB 3.24Å; F46-P98 WeakPolarHBondContact O-CB 3.39Å; F46-Q99 PolarHBondContact N-O 2.94Å; F46-Q99 PolarHBondContact O-N 3.12Å; F46-F101 AromaticContact CD2-CD2 3.91Å; F46-F101 HydrophobicContact CD2-CD2 3.91Å; F46-F101 AromaticContact CD2-CE2 3.85Å; F46-F101 HydrophobicContact CD2-CE2 3.85Å; F46-F101 AromaticContact CE2-CD2 3.81Å; F46-F101 HydrophobicContact CE2-CD2 3.81Å; F46-F101 AromaticContact CE2-CE2 3.86Å; F46-F101 HydrophobicContact CE2-CE2 3.86Å
47	M	98.7	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	166.3	-171.5	63.5	175.6	-66	0	0	112.8	L45 P51 P54 V63 T75 F76 N77 V78 P98	L45-M47 HydrophobicContact CD2-CB 4.28Å; L45-M47 HydrophobicContact CD2-CG 4.47Å; L45-M47 HydrophobicContact CD2-SD 3.95Å; L45-M47 HydrophobicContact CG-CB 4.17Å; M47-P51 HydrophobicContact SD-CG 4.21Å; M47-P54 HydrophobicContact CE-CB 4.06Å; M47-P54 HydrophobicContact CE-CG 4.33Å; M47-V63 HydrophobicContact CE-CG2 3.6Å; M47-V63 HydrophobicContact SD-CG2 3.7Å; M47-T75 HydrophobicContact SD-CG2 3.84Å; M47-F76 PolarHBondContact N-O 2.9Å; M47-N77 WeakPolarHBondContact O-CA 3.41Å; M47-V78 PolarHBondContact O-N 3.05Å; M47-P98 HydrophobicContact CB-CB 4.24Å
48	K	98.5	Very high	98.1	Very high	60 Å²	60	54.3 Å²	54.3	26%	0.261	29%	0.285	S	S	.	.	S	Bend	trans	-90.2	114.5	171.4	-65.2	177.6	-177.5	173.8	0	109.4	M55 C56 S59 V78 L79 I97	K48-M55 HydrophobicContact CB-CB 4.46Å; K48-M55 PolarHBondContact O-N 3.39Å; K48-C56 HydrophobicContact CB-CB 3.89Å; K48-C56 HydrophobicContact CD-CB 3.74Å; K48-C56 HydrophobicContact CG-CB 4.38Å; K48-S59 PolarHBondContact N-OG 3.06Å; K48-V78 HydrophobicContact CG-CG2 4.21Å; K48-L79 HydrophobicContact CB-CD1 4.04Å; K48-L79 HydrophobicContact CB-CD2 4.27Å; K48-L79 HydrophobicContact CB-CG 4.1Å; K48-L79 HydrophobicContact CD-CD2 4.48Å; K48-L79 HydrophobicContact CG-CD2 4.03Å; K48-L79 HydrophobicContact CG-CG 4.32Å; K48-I97 HydrophobicContact CG-CG2 3.9Å
49	G	98.3	Very high	98.1	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.9	-157.8	-171.8	0	0	0	0	0	112.1	N77	G49-N77 WeakPolarHBondContact CA-OD1 3.29Å; G49-N77 PolarHBondContact N-OD1 3.06Å; G49-N77 WeakPolarHBondContact O-CB 3.36Å; G49-N77 PolarHBondContact O-OD1 3.47Å
50	V	98.4	Very high	98.2	Very high	48 Å²	48	51.1 Å²	51.1	29%	0.291	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	162.6	-179.5	-63.4	0	0	0	0	110.4	E52 Q53 P54 N77	V50-E52 PolarHBondContact O-N 3.3Å; V50-E52 VanDerWaalsContact O-N 3.12Å; V50-Q53 HydrophobicContact CG2-CB 4.07Å; V50-Q53 PolarHBondContact N-O 3.3Å; V50-Q53 CarbonylContact O-C 3.58Å; V50-Q53 PolarHBondContact O-N 3.3Å; V50-P54 WeakPolarHBondContact O-CD 3.49Å; V50-N77 HydrophobicContact CG1-CB 4.44Å
51	P	98.2	Very high	98.3	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	-176.9	-29.2	38.3	0	0	0	115.4	M47 V63 K67 F73 T75	M47-P51 HydrophobicContact SD-CG 4.21Å; P51-V63 HydrophobicContact CB-CG1 4.19Å; P51-V63 HydrophobicContact CB-CG2 4.43Å; P51-K67 PolarHBondContact O-NZ 2.79Å; P51-F73 HydrophobicContact CB-CE2 4.31Å; P51-F73 HydrophobicContact CB-CZ 4.42Å; P51-F73 HydrophobicContact CG-CE2 3.87Å; P51-F73 HydrophobicContact CG-CZ 4.44Å; P51-T75 WeakPolarHBondContact CD-OG1 3.46Å; P51-T75 HydrophobicContact CG-CG2 3.44Å; P51-T75 VanDerWaalsContact CG-CG2 3.44Å
52	E	97.8	Very high	98.4	Very high	148 Å²	148	47 Å²	47	69%	0.692	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-27.9	178.3	-60	68	-144.1	0	0	111.9	V50	V50-E52 PolarHBondContact O-N 3.3Å; V50-E52 VanDerWaalsContact O-N 3.12Å
53	Q	98.1	Very high	98.4	Very high	132 Å²	132	42 Å²	42	62%	0.617	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	74.8	180	-67.6	-177.1	-13.5	0	0	110.9	V50 M55	V50-Q53 HydrophobicContact CG2-CB 4.07Å; V50-Q53 PolarHBondContact N-O 3.3Å; V50-Q53 CarbonylContact O-C 3.58Å; V50-Q53 PolarHBondContact O-N 3.3Å; Q53-M55 HydrophobicContact CB-CE 4.35Å; Q53-M55 PolarHBondContact O-N 2.98Å
54	P	98.1	Very high	98.4	Very high	38 Å²	38	46.7 Å²	46.7	25%	0.247	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.7	176.2	-18.6	32.5	0	0	0	110.6	M47 V50 N60	M47-P54 HydrophobicContact CE-CB 4.06Å; M47-P54 HydrophobicContact CE-CG 4.33Å; V50-P54 WeakPolarHBondContact O-CD 3.49Å; P54-N60 HydrophobicContact CB-CB 3.83Å; P54-N60 HydrophobicContact CG-CB 4.1Å
55	M	97.9	Very high	98.4	Very high	124 Å²	124	47 Å²	47	61%	0.611	25%	0.25	S	S	*	.	S	Bend	trans	-97.8	9.5	-177.6	-66.1	-70.7	165.2	0	0	112.7	K48 Q53 L79	K48-M55 HydrophobicContact CB-CB 4.46Å; K48-M55 PolarHBondContact O-N 3.39Å; Q53-M55 HydrophobicContact CB-CE 4.35Å; Q53-M55 PolarHBondContact O-N 2.98Å; M55-L79 HydrophobicContact CB-CD1 3.77Å; M55-L79 HydrophobicContact CG-CD1 4.04Å
56	C	98.1	Very high	98.4	Very high	29 Å²	29	47 Å²	47	20%	0.196	25%	0.25	C	S	.	.	S	Bend	trans	-153.3	139.3	-179.8	-178.6	0	0	0	0	110.7	K48 F58 S59 N60	K48-C56 HydrophobicContact CB-CB 3.89Å; K48-C56 HydrophobicContact CD-CB 3.74Å; K48-C56 HydrophobicContact CG-CB 4.38Å; C56-F58 VanDerWaalsContact C-N 3.31Å; C56-F58 PolarHBondContact O-N 3.25Å; C56-S59 WeakPolarHBondContact O-CB 3.35Å; C56-S59 PolarHBondContact O-N 2.98Å; C56-N60 PolarHBondContact O-N 3.44Å
57	G	98.1	Very high	98.3	Very high	58 Å²	58	51.8 Å²	51.8	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-56.7	-40.2	179.8	0	0	0	0	0	113.7	N60 L61	G57-N60 WeakPolarHBondContact O-CB 3.22Å; G57-N60 PolarHBondContact O-N 3.1Å; G57-L61 WeakPolarHBondContact O-CB 3.47Å; G57-L61 PolarHBondContact O-N 2.97Å
58	F	98.4	Very high	98.3	Very high	105 Å²	105	58.6 Å²	58.6	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-37.1	175.7	-66.3	-70.8	0	0	0	112.7	C56 L61 A62 P98 A110	C56-F58 VanDerWaalsContact C-N 3.31Å; C56-F58 PolarHBondContact O-N 3.25Å; F58-L61 PolarHBondContact O-N 3.41Å; F58-A62 PolarHBondContact O-N 3.24Å; F58-A62 VanDerWaalsContact O-N 3.08Å; F58-P98 WeakPolarHBondContact O-CG 3.22Å; F58-A110 HydrophobicContact CB-CB 3.89Å; F58-A110 HydrophobicContact CD1-CB 4.06Å; F58-A110 HydrophobicContact CG-CB 4.46Å; F58-A110 WeakPolarHBondContact O-CB 3.34Å
59	S	98.6	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-40.9	173.5	-65.9	0	0	0	0	111.6	K48 C56 A62 V63	K48-S59 PolarHBondContact N-OG 3.06Å; C56-S59 WeakPolarHBondContact O-CB 3.35Å; C56-S59 PolarHBondContact O-N 2.98Å; S59-A62 PolarHBondContact O-N 2.87Å; S59-V63 WeakPolarHBondContact O-CG2 3.4Å; S59-V63 PolarHBondContact O-N 3.32Å; S59-V63 VanDerWaalsContact O-N 3.1Å
60	N	98.6	Very high	98.2	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-45.3	172.7	-174	47.6	0	0	0	111.4	P54 C56 G57 A62 V63 Q64	P54-N60 HydrophobicContact CB-CB 3.83Å; P54-N60 HydrophobicContact CG-CB 4.1Å; C56-N60 PolarHBondContact O-N 3.44Å; G57-N60 WeakPolarHBondContact O-CB 3.22Å; G57-N60 PolarHBondContact O-N 3.1Å; N60-A62 PolarHBondContact O-N 3.15Å; N60-V63 PolarHBondContact O-N 3.11Å; N60-Q64 VanDerWaalsContact O-CG 3.26Å; N60-Q64 WeakPolarHBondContact O-CG 3.37Å; N60-Q64 PolarHBondContact O-N 3.47Å
61	L	98.7	Very high	98.1	Very high	48 Å²	48	56.8 Å²	56.8	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-55.9	-49.9	177.7	176	61.4	0	0	0	111.8	G57 F58 V63 Q64 I65 A110 L114	G57-L61 WeakPolarHBondContact O-CB 3.47Å; G57-L61 PolarHBondContact O-N 2.97Å; F58-L61 PolarHBondContact O-N 3.41Å; L61-V63 PolarHBondContact O-N 2.97Å; L61-Q64 PolarHBondContact O-N 2.85Å; L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CG-CD1 4.03Å; L61-I65 WeakPolarHBondContact O-CG1 3.34Å; L61-I65 PolarHBondContact O-N 3.29Å; L61-A110 HydrophobicContact CD2-CB 4.22Å; L61-L114 HydrophobicContact CD1-CD1 4.3Å; L61-L114 HydrophobicContact CD2-CB 4.37Å; L61-L114 HydrophobicContact CD2-CD2 4.07Å
62	A	98.7	Very high	98.1	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-45.9	177.8	0	0	0	0	0	111.9	L45 F58 S59 N60 Q64 I65 L66 P98	L45-A62 HydrophobicContact CD1-CB 4.01Å; L45-A62 HydrophobicContact CD2-CB 4.2Å; F58-A62 PolarHBondContact O-N 3.24Å; F58-A62 VanDerWaalsContact O-N 3.08Å; S59-A62 PolarHBondContact O-N 2.87Å; N60-A62 PolarHBondContact O-N 3.15Å; A62-Q64 VanDerWaalsContact C-N 3.33Å; A62-Q64 PolarHBondContact O-N 3.31Å; A62-I65 PolarHBondContact O-N 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.5Å; A62-L66 PolarHBondContact O-N 2.73Å; A62-P98 HydrophobicContact CB-CB 4.28Å; A62-P98 HydrophobicContact CB-CG 3.76Å
63	V	98.7	Very high	98.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-43.7	176.5	168.2	0	0	0	0	111.6	L45 M47 P51 S59 N60 L61 I65 L66 K67 F73	L45-V63 HydrophobicContact CD2-CG2 3.81Å; M47-V63 HydrophobicContact CE-CG2 3.6Å; M47-V63 HydrophobicContact SD-CG2 3.7Å; P51-V63 HydrophobicContact CB-CG1 4.19Å; P51-V63 HydrophobicContact CB-CG2 4.43Å; S59-V63 WeakPolarHBondContact O-CG2 3.4Å; S59-V63 PolarHBondContact O-N 3.32Å; S59-V63 VanDerWaalsContact O-N 3.1Å; N60-V63 PolarHBondContact O-N 3.11Å; L61-V63 PolarHBondContact O-N 2.97Å; V63-I65 PolarHBondContact O-N 3.5Å; V63-L66 PolarHBondContact O-N 3.45Å; V63-K67 HydrophobicContact CG1-CD 3.91Å; V63-K67 HydrophobicContact CG1-CG 4.36Å; V63-K67 WeakPolarHBondContact O-CB 3.28Å; V63-K67 WeakPolarHBondContact O-CG 3.3Å; V63-K67 PolarHBondContact O-N 2.9Å; V63-F73 HydrophobicContact CG1-CZ 4.32Å
64	Q	98.4	Very high	98.1	Very high	102 Å²	102	54.8 Å²	54.8	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-39.3	-179.4	-68.1	-70.4	23	0	0	112.1	N60 L61 A62 K67 Y68	N60-Q64 VanDerWaalsContact O-CG 3.26Å; N60-Q64 WeakPolarHBondContact O-CG 3.37Å; N60-Q64 PolarHBondContact O-N 3.47Å; L61-Q64 PolarHBondContact O-N 2.85Å; A62-Q64 VanDerWaalsContact C-N 3.33Å; A62-Q64 PolarHBondContact O-N 3.31Å; Q64-K67 PolarHBondContact O-N 3.06Å; Q64-Y68 WeakPolarHBondContact O-CB 3.49Å; Q64-Y68 PolarHBondContact O-N 3.32Å
65	I	98.5	Very high	98.1	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-46.8	174.9	-65.9	162.8	0	0	0	110.4	L61 A62 V63 K67 Y68 H69 V113 L114 H117 L122	L61-I65 HydrophobicContact CD1-CD1 3.99Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CG-CD1 4.03Å; L61-I65 WeakPolarHBondContact O-CG1 3.34Å; L61-I65 PolarHBondContact O-N 3.29Å; A62-I65 PolarHBondContact O-N 3.3Å; V63-I65 PolarHBondContact O-N 3.5Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 3.27Å; I65-Y68 WeakPolarHBondContact O-CB 3.48Å; I65-Y68 PolarHBondContact O-N 2.97Å; I65-H69 PolarHBondContact O-CD2 3.02Å; I65-H69 VanDerWaalsContact O-CD2 3.25Å; I65-H69 PolarHBondContact O-N 3.41Å; I65-H69 VanDerWaalsContact O-N 3.14Å; I65-V113 HydrophobicContact CB-CG1 4.37Å; I65-V113 HydrophobicContact CD1-CG1 4Å; I65-V113 HydrophobicContact CG2-CG1 3.89Å; I65-L114 HydrophobicContact CD1-CB 3.93Å; I65-L114 HydrophobicContact CD1-CD1 4.07Å; I65-H117 HydrophobicContact CG2-CB 3.84Å; I65-L122 HydrophobicContact CG2-CD2 3.71Å
66	L	98.5	Very high	98.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-40.2	178.6	-62.2	178.5	0	0	0	112	V43 L45 A62 V63 H69 G70 L71 F73 L100	V43-L66 HydrophobicContact CG1-CD1 4.48Å; V43-L66 HydrophobicContact CG1-CD2 4.25Å; L45-L66 HydrophobicContact CB-CD1 4.24Å; L45-L66 HydrophobicContact CD2-CD1 3.92Å; A62-L66 WeakPolarHBondContact O-CG 3.5Å; A62-L66 PolarHBondContact O-N 2.73Å; V63-L66 PolarHBondContact O-N 3.45Å; L66-H69 PolarHBondContact O-N 3.12Å; L66-G70 PolarHBondContact O-N 3.31Å; L66-L71 HydrophobicContact CD2-CD1 3.73Å; L66-L71 PolarHBondContact O-N 2.81Å; L66-L71 VanDerWaalsContact O-N 3.1Å; L66-F73 HydrophobicContact CB-CD1 3.76Å; L66-F73 HydrophobicContact CB-CE1 3.66Å; L66-F73 HydrophobicContact CB-CG 4.45Å; L66-F73 HydrophobicContact CB-CZ 4.25Å; L66-F73 HydrophobicContact CD1-CB 4.25Å; L66-F73 HydrophobicContact CD1-CD1 3.91Å; L66-F73 HydrophobicContact CD1-CD2 3.84Å; L66-F73 HydrophobicContact CD1-CE1 4.2Å; L66-F73 HydrophobicContact CD1-CE2 4.12Å; L66-F73 HydrophobicContact CD1-CG 3.74Å; L66-F73 HydrophobicContact CD1-CZ 4.3Å; L66-F73 HydrophobicContact CG-CD1 4.46Å; L66-L100 HydrophobicContact CD1-CD1 4.09Å; L66-L100 HydrophobicContact CD2-CD1 3.89Å; L66-L100 HydrophobicContact CD2-CD2 3.96Å
67	K	97.8	Very high	98.1	Very high	100 Å²	100	50 Å²	50	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-39.9	174.7	-75.2	179	178.2	174.8	0	112.1	P51 V63 Q64 I65 H69 G70 F73	P51-K67 PolarHBondContact O-NZ 2.79Å; V63-K67 HydrophobicContact CG1-CD 3.91Å; V63-K67 HydrophobicContact CG1-CG 4.36Å; V63-K67 WeakPolarHBondContact O-CB 3.28Å; V63-K67 WeakPolarHBondContact O-CG 3.3Å; V63-K67 PolarHBondContact O-N 2.9Å; Q64-K67 PolarHBondContact O-N 3.06Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 3.27Å; K67-H69 VanDerWaalsContact C-N 3.26Å; K67-H69 PolarHBondContact O-N 3.45Å; K67-G70 PolarHBondContact O-N 2.88Å; K67-F73 HydrophobicContact CG-CE1 4.41Å
68	Y	97.7	Very high	98.1	Very high	143 Å²	143	47.2 Å²	47.2	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-40.2	175.8	178	-87	0	0	0	111.9	Q64 I65 G70 H117 S134 A135	Q64-Y68 WeakPolarHBondContact O-CB 3.49Å; Q64-Y68 PolarHBondContact O-N 3.32Å; I65-Y68 WeakPolarHBondContact O-CB 3.48Å; I65-Y68 PolarHBondContact O-N 2.97Å; Y68-G70 PolarHBondContact O-N 3.13Å; Y68-H117 AromaticContact CD1-CE1 3.44Å; Y68-H117 VanDerWaalsContact CD1-CE1 3.44Å; Y68-H117 WeakPolarHBondContact CD1-CE1 3.48Å; Y68-H117 AromaticContact CE1-CE1 3.52Å; Y68-S134 PolarHBondContact O-OG 2.76Å; Y68-A135 HydrophobicContact CD1-CB 4.07Å; Y68-A135 HydrophobicContact CE1-CB 3.42Å; Y68-A135 VanDerWaalsContact CE1-CB 3.42Å
69	H	97.7	Very high	98	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.3	175.2	-73.7	-74.7	0	0	0	114	I65 L66 K67 L71 H117 L126 S133 S134	I65-H69 PolarHBondContact O-CD2 3.02Å; I65-H69 VanDerWaalsContact O-CD2 3.25Å; I65-H69 PolarHBondContact O-N 3.41Å; I65-H69 VanDerWaalsContact O-N 3.14Å; L66-H69 PolarHBondContact O-N 3.12Å; K67-H69 VanDerWaalsContact C-N 3.26Å; K67-H69 PolarHBondContact O-N 3.45Å; H69-L71 VanDerWaalsContact C-N 3.25Å; H69-L71 HydrophobicContact CB-CD1 3.95Å; H69-L71 HydrophobicContact CB-CD2 4.06Å; H69-L71 HydrophobicContact CB-CG 3.67Å; H69-L71 WeakPolarHBondContact O-CD2 3.4Å; H69-L71 PolarHBondContact O-N 3.38Å; H69-H117 AromaticContact CD2-ND1 3.76Å; H69-H117 AromaticContact CE1-ND1 3.78Å; H69-H117 AromaticContact NE2-CE1 3.78Å; H69-H117 AromaticContact NE2-CG 3.9Å; H69-H117 AromaticContact NE2-ND1 2.89Å; H69-H117 PolarHBondContact NE2-ND1 3.02Å; H69-L126 HydrophobicContact CB-CD1 4.37Å; H69-S133 PolarHBondContact ND1-OG 2.99Å; H69-S133 WeakPolarHBondContact O-CA 3.46Å; H69-S134 PolarHBondContact O-N 2.77Å; H69-S134 PolarHBondContact O-OG 2.68Å
70	G	97.1	Very high	97.9	Very high	53 Å²	53	53.8 Å²	53.8	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	27	176.2	0	0	0	0	0	113.3	L66 K67 Y68 S134	L66-G70 PolarHBondContact O-N 3.31Å; K67-G70 PolarHBondContact O-N 2.88Å; Y68-G70 PolarHBondContact O-N 3.13Å; G70-S134 PolarHBondContact N-OG 2.8Å; G70-S134 VanDerWaalsContact N-OG 3.11Å
71	L	97.2	Very high	97.7	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.079	28%	0.278	C	S	.	.			trans	-82.2	140.2	-172.2	-54	-179.1	0	0	0	111.6	L66 H69 F73 L126 I131	L66-L71 HydrophobicContact CD2-CD1 3.73Å; L66-L71 PolarHBondContact O-N 2.81Å; L66-L71 VanDerWaalsContact O-N 3.1Å; H69-L71 VanDerWaalsContact C-N 3.25Å; H69-L71 HydrophobicContact CB-CD1 3.95Å; H69-L71 HydrophobicContact CB-CD2 4.06Å; H69-L71 HydrophobicContact CB-CG 3.67Å; H69-L71 WeakPolarHBondContact O-CD2 3.4Å; H69-L71 PolarHBondContact O-N 3.38Å; L71-F73 HydrophobicContact CB-CD1 4.44Å; L71-F73 VanDerWaalsContact O-CD1 3.28Å; L71-F73 WeakPolarHBondContact O-CD1 3.44Å; L71-L126 HydrophobicContact CD1-CD1 3.98Å; L71-L126 HydrophobicContact CD1-CD2 3.63Å; L71-L126 HydrophobicContact CD1-CG 4.46Å; L71-L126 HydrophobicContact CD2-CD1 4.06Å; L71-L126 HydrophobicContact CD2-CD2 3.93Å; L71-L126 HydrophobicContact CG-CD2 4.45Å; L71-I131 HydrophobicContact CD2-CG2 3.71Å
72	S	96.6	Very high	97.5	Very high	116 Å²	116	56.5 Å²	56.5	81%	0.811	29%	0.29	S	S	*	.			trans	-86.5	122.5	160.7	179.7	0	0	0	0	108.7
73	F	98.1	Very high	97.3	Very high	41 Å²	41	57.3 Å²	57.3	18%	0.18	30%	0.296	C	S	.	.			trans	-137.8	149.5	-176.6	57.6	-87.3	0	0	0	111.8	V43 P51 V63 L66 K67 L71 T75	V43-F73 HydrophobicContact CB-CB 3.76Å; V43-F73 HydrophobicContact CG1-CB 3.56Å; V43-F73 WeakPolarHBondContact O-CA 3.49Å; P51-F73 HydrophobicContact CB-CE2 4.31Å; P51-F73 HydrophobicContact CB-CZ 4.42Å; P51-F73 HydrophobicContact CG-CE2 3.87Å; P51-F73 HydrophobicContact CG-CZ 4.44Å; V63-F73 HydrophobicContact CG1-CZ 4.32Å; L66-F73 HydrophobicContact CB-CD1 3.76Å; L66-F73 HydrophobicContact CB-CE1 3.66Å; L66-F73 HydrophobicContact CB-CG 4.45Å; L66-F73 HydrophobicContact CB-CZ 4.25Å; L66-F73 HydrophobicContact CD1-CB 4.25Å; L66-F73 HydrophobicContact CD1-CD1 3.91Å; L66-F73 HydrophobicContact CD1-CD2 3.84Å; L66-F73 HydrophobicContact CD1-CE1 4.2Å; L66-F73 HydrophobicContact CD1-CE2 4.12Å; L66-F73 HydrophobicContact CD1-CG 3.74Å; L66-F73 HydrophobicContact CD1-CZ 4.3Å; L66-F73 HydrophobicContact CG-CD1 4.46Å; K67-F73 HydrophobicContact CG-CE1 4.41Å; L71-F73 HydrophobicContact CB-CD1 4.44Å; L71-F73 VanDerWaalsContact O-CD1 3.28Å; L71-F73 WeakPolarHBondContact O-CD1 3.44Å; F73-T75 HydrophobicContact CD2-CG2 3.52Å; F73-T75 HydrophobicContact CE2-CG2 3.54Å
74	K	98.5	Very high	97.2	Very high	95 Å²	95	57.9 Å²	57.9	41%	0.413	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.1	171.8	-179.1	66.1	179.5	-178.8	0	109.2	N41 V43 V44 L45 F76	N41-K74 HydrophobicContact CB-CB 3.86Å; N41-K74 VanDerWaalsContact OD1-CB 3.28Å; N41-K74 WeakPolarHBondContact OD1-CB 3.42Å; N41-K74 WeakPolarHBondContact OD1-CG 3.43Å; V43-K74 PolarHBondContact O-N 3.32Å; V44-K74 CarbonylContact C-O 2.98Å; V44-K74 WeakPolarHBondContact CA-O 3.37Å; V44-K74 HydrophobicContact CG2-CB 4.49Å; L45-K74 PolarHBondContact N-O 2.9Å; K74-F76 HydrophobicContact CG-CE2 3.9Å; K74-F76 HydrophobicContact CG-CZ 3.9Å
75	T	98.4	Very high	97.1	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.4	174.8	59.6	0	0	0	0	112.6	L45 M47 P51 F73	L45-T75 HydrophobicContact CB-CG2 4.16Å; L45-T75 HydrophobicContact CD2-CG2 4.43Å; L45-T75 VanDerWaalsContact O-CA 3.22Å; L45-T75 WeakPolarHBondContact O-CA 3.5Å; M47-T75 HydrophobicContact SD-CG2 3.84Å; P51-T75 WeakPolarHBondContact CD-OG1 3.46Å; P51-T75 HydrophobicContact CG-CG2 3.44Å; P51-T75 VanDerWaalsContact CG-CG2 3.44Å; F73-T75 HydrophobicContact CD2-CG2 3.52Å; F73-T75 HydrophobicContact CE2-CG2 3.54Å
76	F	98.4	Very high	97	Very high	37 Å²	37	59.9 Å²	59.9	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.5	169.7	-61.5	-81	0	0	0	109.2	L37 V44 L45 F46 M47 K74 V78 L84	L37-F76 HydrophobicContact CB-CE2 4.17Å; L37-F76 HydrophobicContact CB-CZ 4.18Å; L37-F76 HydrophobicContact CD2-CE1 3.77Å; L37-F76 HydrophobicContact CD2-CZ 3.75Å; L37-F76 HydrophobicContact CG-CZ 4.44Å; V44-F76 HydrophobicContact CG1-CD2 3.62Å; V44-F76 HydrophobicContact CG1-CE2 3.54Å; L45-F76 PolarHBondContact O-N 3.47Å; F46-F76 HydrophobicContact CD1-CB 3.77Å; F46-F76 HydrophobicContact CD1-CD2 4.25Å; F46-F76 HydrophobicContact CD1-CG 4.34Å; F46-F76 HydrophobicContact CE1-CB 3.99Å; F46-F76 AromaticContact CE1-CD2 3.82Å; F46-F76 HydrophobicContact CE1-CD2 3.82Å; F46-F76 HydrophobicContact CE1-CG 4.08Å; F46-F76 AromaticContact CZ-CD2 4Å; F46-F76 HydrophobicContact CZ-CD2 4Å; M47-F76 PolarHBondContact N-O 2.9Å; K74-F76 HydrophobicContact CG-CE2 3.9Å; K74-F76 HydrophobicContact CG-CZ 3.9Å; F76-V78 PolarHBondContact O-N 3.05Å; F76-L84 HydrophobicContact CB-CD2 3.92Å
77	N	98.2	Very high	96.9	Very high	25 Å²	25	60 Å²	60	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105.8	179.6	-177.2	7.2	0	0	0	109.9	M47 G49 V50 L79 E80	M47-N77 WeakPolarHBondContact O-CA 3.41Å; G49-N77 WeakPolarHBondContact CA-OD1 3.29Å; G49-N77 PolarHBondContact N-OD1 3.06Å; G49-N77 WeakPolarHBondContact O-CB 3.36Å; G49-N77 PolarHBondContact O-OD1 3.47Å; V50-N77 HydrophobicContact CG1-CB 4.44Å; N77-L79 PolarHBondContact O-N 3.1Å; N77-L79 WeakPolarHBondContact OD1-CB 3.32Å; N77-L79 PolarHBondContact OD1-N 3.08Å; N77-E80 HydrophobicContact CB-CG 4.49Å; N77-E80 PolarHBondContact ND2-OE1 3.44Å; N77-E80 PolarHBondContact O-N 2.9Å
78	V	97.8	Very high	96.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.4	-178.3	-52.5	0	0	0	0	113.5	F46 M47 K48 F76 E80 L84 R85 I97	F46-V78 HydrophobicContact CB-CG1 4.01Å; F46-V78 HydrophobicContact CD1-CG1 4.4Å; M47-V78 PolarHBondContact O-N 3.05Å; K48-V78 HydrophobicContact CG-CG2 4.21Å; F76-V78 PolarHBondContact O-N 3.05Å; V78-E80 VanDerWaalsContact C-N 3.33Å; V78-L84 HydrophobicContact CG1-CD2 4.21Å; V78-L84 HydrophobicContact CG1-CG 4.41Å; V78-R85 HydrophobicContact CB-CB 3.9Å; V78-R85 HydrophobicContact CB-CG 4.08Å; V78-R85 HydrophobicContact CG2-CB 4.44Å; V78-R85 HydrophobicContact CG2-CG 4.07Å; V78-I97 HydrophobicContact CG1-CD1 4.4Å; V78-I97 HydrophobicContact CG2-CG1 4.29Å; V78-I97 HydrophobicContact CG2-CG2 3.84Å
79	L	96.9	Very high	96.8	Very high	90 Å²	90	50.6 Å²	50.6	47%	0.471	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19	174.9	-59.9	179.1	0	0	0	112.6	K48 M55 N77	K48-L79 HydrophobicContact CB-CD1 4.04Å; K48-L79 HydrophobicContact CB-CD2 4.27Å; K48-L79 HydrophobicContact CB-CG 4.1Å; K48-L79 HydrophobicContact CD-CD2 4.48Å; K48-L79 HydrophobicContact CG-CD2 4.03Å; K48-L79 HydrophobicContact CG-CG 4.32Å; M55-L79 HydrophobicContact CB-CD1 3.77Å; M55-L79 HydrophobicContact CG-CD1 4.04Å; N77-L79 PolarHBondContact O-N 3.1Å; N77-L79 WeakPolarHBondContact OD1-CB 3.32Å; N77-L79 PolarHBondContact OD1-N 3.08Å
80	E	95.9	Very high	96.7	Very high	153 Å²	153	55.4 Å²	55.4	72%	0.715	29%	0.294	S	S	*	.	S	Bend	trans	-90.4	-17.1	-178.6	-71.9	168.1	-156.4	0	0	112.6	N77 V78	N77-E80 HydrophobicContact CB-CG 4.49Å; N77-E80 PolarHBondContact ND2-OE1 3.44Å; N77-E80 PolarHBondContact O-N 2.9Å; V78-E80 VanDerWaalsContact C-N 3.33Å
81	D	94.4	Very high	96.7	Very high	62 Å²	62	55 Å²	55	33%	0.332	28%	0.277	S	S	.	.			trans	-143.6	108.2	-176.5	-176.5	-15.2	0	0	0	110.4	S83 L84 R85	D81-S83 VanDerWaalsContact C-N 3.35Å; D81-S83 WeakPolarHBondContact OD1-CA 3.18Å; D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.47Å; D81-S83 PolarHBondContact OD1-N 3.31Å; D81-L84 HydrophobicContact CB-CB 3.69Å; D81-L84 HydrophobicContact CB-CD2 4.46Å; D81-L84 WeakPolarHBondContact O-CB 3.16Å; D81-L84 PolarHBondContact O-N 3.44Å; D81-L84 PolarHBondContact OD1-N 2.95Å; D81-R85 PolarHBondContact O-N 3Å
82	E	94.3	Very high	96.7	Very high	110 Å²	110	55.2 Å²	55.2	51%	0.514	28%	0.279	S	S	.	.	H	α-helix	trans	-71.7	-29.8	178.9	-167.8	62.2	-146.8	0	0	112	L84 R85 Q86	E82-L84 VanDerWaalsContact C-N 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.39Å; E82-R85 PolarHBondContact O-N 3.44Å; E82-R85 IonicContact OE1-NH1 3.03Å; E82-R85 WeakPolarHBondContact OE2-CD 3.46Å; E82-R85 IonicContact OE2-CZ 2.62Å; E82-R85 IonicContact OE2-NH1 3.99Å; E82-R85 PolarHBondContact OE2-NH1 2.84Å; E82-Q86 PolarHBondContact O-N 2.94Å
83	S	95	Very high	96.7	Very high	20 Å²	20	56.9 Å²	56.9	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-37.9	173.1	-73.8	0	0	0	0	111.2	S27 D81 G87	S27-S83 WeakPolarHBondContact O-CB 3.47Å; S27-S83 PolarHBondContact O-OG 3.13Å; D81-S83 VanDerWaalsContact C-N 3.35Å; D81-S83 WeakPolarHBondContact OD1-CA 3.18Å; D81-S83 VanDerWaalsContact OD1-CB 3.25Å; D81-S83 WeakPolarHBondContact OD1-CB 3.47Å; D81-S83 PolarHBondContact OD1-N 3.31Å; S83-G87 WeakPolarHBondContact O-CA 3.33Å; S83-G87 PolarHBondContact O-N 2.89Å
84	L	96.1	Very high	96.6	Very high	11 Å²	11	58.8 Å²	58.8	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-47.4	171	-179	73.3	0	0	0	111.4	L29 I34 L37 F46 F76 V78 D81 E82 Q86 G87 I88	L29-L84 HydrophobicContact CD1-CB 3.98Å; L29-L84 HydrophobicContact CD1-CD1 3.56Å; L29-L84 HydrophobicContact CD1-CG 4.41Å; I34-L84 HydrophobicContact CD1-CD1 3.99Å; L37-L84 HydrophobicContact CD1-CD1 3.62Å; F46-L84 HydrophobicContact CD1-CD1 4.14Å; F46-L84 HydrophobicContact CD1-CD2 4.49Å; F46-L84 HydrophobicContact CD1-CG 4.35Å; F46-L84 HydrophobicContact CE1-CD1 3.75Å; F46-L84 HydrophobicContact CE1-CG 4.45Å; F76-L84 HydrophobicContact CB-CD2 3.92Å; V78-L84 HydrophobicContact CG1-CD2 4.21Å; V78-L84 HydrophobicContact CG1-CG 4.41Å; D81-L84 HydrophobicContact CB-CB 3.69Å; D81-L84 HydrophobicContact CB-CD2 4.46Å; D81-L84 WeakPolarHBondContact O-CB 3.16Å; D81-L84 PolarHBondContact O-N 3.44Å; D81-L84 PolarHBondContact OD1-N 2.95Å; E82-L84 VanDerWaalsContact C-N 3.32Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 2.95Å; L84-G87 PolarHBondContact O-N 3.34Å; L84-I88 WeakPolarHBondContact O-CG2 3.49Å; L84-I88 PolarHBondContact O-N 3.27Å
85	R	96.4	Very high	96.5	Very high	74 Å²	74	58.8 Å²	58.8	28%	0.279	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-42.8	-179.1	-172.8	179.5	173.8	-161.9	-1	112.8	V78 D81 E82 K89	V78-R85 HydrophobicContact CB-CB 3.9Å; V78-R85 HydrophobicContact CB-CG 4.08Å; V78-R85 HydrophobicContact CG2-CB 4.44Å; V78-R85 HydrophobicContact CG2-CG 4.07Å; D81-R85 PolarHBondContact O-N 3Å; E82-R85 WeakPolarHBondContact O-CB 3.39Å; E82-R85 PolarHBondContact O-N 3.44Å; E82-R85 IonicContact OE1-NH1 3.03Å; E82-R85 WeakPolarHBondContact OE2-CD 3.46Å; E82-R85 IonicContact OE2-CZ 2.62Å; E82-R85 IonicContact OE2-NH1 3.99Å; E82-R85 PolarHBondContact OE2-NH1 2.84Å; R85-K89 WeakPolarHBondContact O-CG 3.46Å
86	Q	95.7	Very high	96.4	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-77.5	-45.8	177.3	-170	55.5	43.3	0	0	110.8	E82 L84 I88 K89 D90	E82-Q86 PolarHBondContact O-N 2.94Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 2.95Å; Q86-I88 VanDerWaalsContact C-N 3.29Å; Q86-I88 PolarHBondContact O-N 3.34Å; Q86-K89 WeakPolarHBondContact O-CB 3.24Å; Q86-K89 PolarHBondContact O-N 2.89Å; Q86-D90 PolarHBondContact NE2-OD1 2.78Å; Q86-D90 PolarHBondContact O-N 3.42Å; Q86-D90 VanDerWaalsContact O-N 3.07Å
87	G	96.4	Very high	96.4	Very high	5 Å²	5	59.8 Å²	59.8	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-36.9	-177.8	0	0	0	0	0	113.6	S83 L84 D90 Y91	S83-G87 WeakPolarHBondContact O-CA 3.33Å; S83-G87 PolarHBondContact O-N 2.89Å; L84-G87 PolarHBondContact O-N 3.34Å; G87-D90 PolarHBondContact O-N 3.03Å; G87-Y91 WeakPolarHBondContact O-CB 3.36Å; G87-Y91 PolarHBondContact O-N 2.9Å
88	I	97.4	Very high	96.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.9	-33.7	177.5	-166.8	58.9	0	0	0	113.1	I34 V38 F46 L84 Q86 Y91 S92 I97 F101	I34-I88 HydrophobicContact CG2-CD1 3.56Å; V38-I88 HydrophobicContact CG1-CD1 4.45Å; F46-I88 HydrophobicContact CB-CG1 4.26Å; F46-I88 HydrophobicContact CD1-CB 4.23Å; F46-I88 HydrophobicContact CD1-CD1 4.25Å; F46-I88 HydrophobicContact CD1-CG1 3.93Å; F46-I88 HydrophobicContact CD2-CD1 3.72Å; F46-I88 HydrophobicContact CD2-CG1 3.72Å; F46-I88 HydrophobicContact CE1-CB 4.49Å; F46-I88 HydrophobicContact CE1-CD1 4.02Å; F46-I88 HydrophobicContact CE1-CG1 4.19Å; F46-I88 HydrophobicContact CE2-CD1 3.47Å; F46-I88 VanDerWaalsContact CE2-CD1 3.47Å; F46-I88 HydrophobicContact CE2-CG1 4.01Å; F46-I88 HydrophobicContact CG-CB 4.41Å; F46-I88 HydrophobicContact CG-CD1 4.12Å; F46-I88 HydrophobicContact CG-CG1 3.7Å; F46-I88 HydrophobicContact CZ-CD1 3.63Å; F46-I88 HydrophobicContact CZ-CG1 4.23Å; L84-I88 WeakPolarHBondContact O-CG2 3.49Å; L84-I88 PolarHBondContact O-N 3.27Å; Q86-I88 VanDerWaalsContact C-N 3.29Å; Q86-I88 PolarHBondContact O-N 3.34Å; I88-Y91 HydrophobicContact CD1-CD1 4.36Å; I88-S92 WeakPolarHBondContact O-CB 3.44Å; I88-S92 PolarHBondContact O-N 3.48Å; I88-S92 VanDerWaalsContact O-N 3.08Å; I88-S92 PolarHBondContact O-OG 2.97Å; I88-I97 HydrophobicContact CG2-CD1 3.75Å; I88-F101 HydrophobicContact CD1-CE2 3.7Å; I88-F101 HydrophobicContact CD1-CZ 3.76Å; I88-F101 HydrophobicContact CG1-CE2 4.28Å
89	K	96.8	Very high	96.5	Very high	45 Å²	45	58.7 Å²	58.7	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-43.9	175.7	-65.6	172.7	-177.2	173.8	0	111	R85 Q86 Y91 S92 D93 W94 P95	R85-K89 WeakPolarHBondContact O-CG 3.46Å; Q86-K89 WeakPolarHBondContact O-CB 3.24Å; Q86-K89 PolarHBondContact O-N 2.89Å; K89-Y91 VanDerWaalsContact C-N 3.32Å; K89-S92 PolarHBondContact O-N 3.35Å; K89-S92 PolarHBondContact O-OG 2.84Å; K89-D93 WeakPolarHBondContact O-CA 3.18Å; K89-D93 PolarHBondContact O-N 3.06Å; K89-W94 WeakPolarHBondContact CA-O 3.26Å; K89-W94 WeakPolarHBondContact CB-O 3.24Å; K89-W94 WeakPolarHBondContact CG-O 3.3Å; K89-W94 PolarHBondContact O-N 2.96Å; K89-W94 VanDerWaalsContact O-N 3.16Å; K89-P95 WeakPolarHBondContact CE-O 3.44Å
90	D	96	Very high	96.6	Very high	104 Å²	104	54.5 Å²	54.5	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-66.7	-37	178.4	-60.6	-16.8	0	0	0	111	Q86 G87	Q86-D90 PolarHBondContact NE2-OD1 2.78Å; Q86-D90 PolarHBondContact O-N 3.42Å; Q86-D90 VanDerWaalsContact O-N 3.07Å; G87-D90 PolarHBondContact O-N 3.03Å
91	Y	96.6	Very high	96.7	Very high	46 Å²	46	47.3 Å²	47.3	18%	0.18	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-44.4	177.6	177.9	-88.8	0	0	0	112.9	K31 I34 E35 V38 G87 I88 K89 F101	K31-Y91 HydrophobicContact CG-CD2 3.73Å; K31-Y91 HydrophobicContact CG-CE2 4.03Å; I34-Y91 HydrophobicContact CB-CD2 3.84Å; I34-Y91 HydrophobicContact CB-CE2 4.49Å; I34-Y91 HydrophobicContact CB-CG 4.06Å; I34-Y91 HydrophobicContact CG2-CD1 3.74Å; I34-Y91 HydrophobicContact CG2-CD2 3.61Å; I34-Y91 HydrophobicContact CG2-CE1 4.33Å; I34-Y91 HydrophobicContact CG2-CE2 4.22Å; I34-Y91 HydrophobicContact CG2-CG 3.37Å; E35-Y91 HydrophobicContact CB-CE2 4.19Å; E35-Y91 VanDerWaalsContact CD-OH 3.27Å; E35-Y91 WeakPolarHBondContact OE2-CE2 3.49Å; E35-Y91 VanDerWaalsContact OE2-CZ 3.27Å; E35-Y91 PolarHBondContact OE2-OH 3.03Å; V38-Y91 HydrophobicContact CG1-CE1 4.34Å; V38-Y91 HydrophobicContact CG2-CE1 4.36Å; G87-Y91 WeakPolarHBondContact O-CB 3.36Å; G87-Y91 PolarHBondContact O-N 2.9Å; I88-Y91 HydrophobicContact CD1-CD1 4.36Å; K89-Y91 VanDerWaalsContact C-N 3.32Å; Y91-F101 HydrophobicContact CD1-CE1 4.16Å; Y91-F101 HydrophobicContact CD1-CZ 4.18Å; Y91-F101 AromaticContact CE1-CE1 3.81Å; Y91-F101 HydrophobicContact CE1-CE1 3.81Å; Y91-F101 HydrophobicContact CE1-CZ 4.29Å
92	S	96.7	Very high	96.9	Very high	19 Å²	19	44.6 Å²	44.6	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-86.4	-10.5	-176.3	53.9	0	0	0	0	114.1	I88 K89 W94 Q99	I88-S92 WeakPolarHBondContact O-CB 3.44Å; I88-S92 PolarHBondContact O-N 3.48Å; I88-S92 VanDerWaalsContact O-N 3.08Å; I88-S92 PolarHBondContact O-OG 2.97Å; K89-S92 PolarHBondContact O-N 3.35Å; K89-S92 PolarHBondContact O-OG 2.84Å; S92-W94 PolarHBondContact O-N 3.03Å; S92-W94 WeakPolarHBondContact OG-CB 3.42Å; S92-W94 PolarHBondContact OG-N 2.96Å; S92-Q99 VanDerWaalsContact CB-OE1 3.31Å; S92-Q99 PolarHBondContact OG-NE2 3.02Å; S92-Q99 VanDerWaalsContact OG-NE2 3.16Å; S92-Q99 PolarHBondContact OG-OE1 3.29Å
93	D	96.7	Very high	97.1	Very high	151 Å²	151	43.8 Å²	43.8	81%	0.807	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	39.3	-164.5	-162.8	28.2	0	0	0	111.8	K89	K89-D93 WeakPolarHBondContact O-CA 3.18Å; K89-D93 PolarHBondContact O-N 3.06Å
94	W	96.7	Very high	97.2	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.307	22%	0.223	S	C	.	.			trans	-130.9	126.2	-174.9	-166.1	-93.8	0	0	0	112.4	K89 S92 T96 Q99 F106 I112	K89-W94 WeakPolarHBondContact CA-O 3.26Å; K89-W94 WeakPolarHBondContact CB-O 3.24Å; K89-W94 WeakPolarHBondContact CG-O 3.3Å; K89-W94 PolarHBondContact O-N 2.96Å; K89-W94 VanDerWaalsContact O-N 3.16Å; S92-W94 PolarHBondContact O-N 3.03Å; S92-W94 WeakPolarHBondContact OG-CB 3.42Å; S92-W94 PolarHBondContact OG-N 2.96Å; W94-T96 PolarHBondContact NE1-OG1 2.64Å; W94-T96 PolarHBondContact O-N 2.94Å; W94-Q99 PolarHBondContact O-NE2 3.25Å; W94-F106 HydrophobicContact CB-CE1 4.17Å; W94-F106 HydrophobicContact CB-CE2 4.47Å; W94-F106 HydrophobicContact CB-CZ 3.73Å; W94-F106 HydrophobicContact CD2-CE1 4.12Å; W94-F106 AromaticContact CD2-CZ 3.77Å; W94-F106 HydrophobicContact CD2-CZ 3.77Å; W94-F106 AromaticContact CE3-CE1 4Å; W94-F106 HydrophobicContact CE3-CE1 4Å; W94-F106 HydrophobicContact CE3-CZ 4.14Å; W94-F106 HydrophobicContact CG-CE1 4.21Å; W94-F106 HydrophobicContact CG-CE2 4.49Å; W94-F106 AromaticContact CG-CZ 3.57Å; W94-F106 HydrophobicContact CG-CZ 3.57Å; W94-I112 HydrophobicContact CH2-CD1 3.47Å; W94-I112 VanDerWaalsContact CH2-CD1 3.47Å; W94-I112 HydrophobicContact CZ2-CD1 3.75Å; W94-I112 HydrophobicContact CZ3-CD1 4.23Å
95	P	96.1	Very high	97.3	Very high	95 Å²	95	49.4 Å²	49.4	62%	0.617	25%	0.252	S	S	*	.			trans	-82.3	-19.2	-167.1	29.6	-34.4	0	0	0	114.7	K89	K89-P95 WeakPolarHBondContact CE-O 3.44Å
96	T	96.7	Very high	97.4	Very high	72 Å²	72	49.2 Å²	49.2	44%	0.442	25%	0.254	S	S	.	.	S	Bend	trans	-105.6	159.5	-170.4	68	0	0	0	0	113.6	W94 Q99	W94-T96 PolarHBondContact NE1-OG1 2.64Å; W94-T96 PolarHBondContact O-N 2.94Å; T96-Q99 VanDerWaalsContact O-CG 3.24Å; T96-Q99 WeakPolarHBondContact O-CG 3.49Å; T96-Q99 PolarHBondContact O-NE2 2.96Å
97	I	98.1	Very high	97.5	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.072	24%	0.243	C	C	.	.	S	Bend	trans	-126.1	137.3	174	-62.5	-66.3	0	0	0	106.3	K48 V78 I88 Q99	K48-I97 HydrophobicContact CG-CG2 3.9Å; V78-I97 HydrophobicContact CG1-CD1 4.4Å; V78-I97 HydrophobicContact CG2-CG1 4.29Å; V78-I97 HydrophobicContact CG2-CG2 3.84Å; I88-I97 HydrophobicContact CG2-CD1 3.75Å; I97-Q99 HydrophobicContact CD1-CG 4.19Å
98	P	98.7	Very high	97.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.013	24%	0.241	C	C	.	.			cis	-78.5	165	11.6	35.8	-39.4	0	0	0	114.6	L45 F46 M47 F58 A62 G109 A110	L45-P98 HydrophobicContact CD1-CB 3.89Å; F46-P98 CarbonylContact O-C 3.52Å; F46-P98 WeakPolarHBondContact O-CA 3.1Å; F46-P98 VanDerWaalsContact O-CB 3.24Å; F46-P98 WeakPolarHBondContact O-CB 3.39Å; M47-P98 HydrophobicContact CB-CB 4.24Å; F58-P98 WeakPolarHBondContact O-CG 3.22Å; A62-P98 HydrophobicContact CB-CB 4.28Å; A62-P98 HydrophobicContact CB-CG 3.76Å; P98-G109 VanDerWaalsContact O-CA 3.3Å; P98-G109 WeakPolarHBondContact O-CA 3.42Å; P98-A110 HydrophobicContact CG-CB 3.81Å
99	Q	98.8	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.1	172.1	-67.5	-175.2	13.5	0	0	110.6	F46 S92 W94 T96 I97 F101 F106	F46-Q99 PolarHBondContact N-O 2.94Å; F46-Q99 PolarHBondContact O-N 3.12Å; S92-Q99 VanDerWaalsContact CB-OE1 3.31Å; S92-Q99 PolarHBondContact OG-NE2 3.02Å; S92-Q99 VanDerWaalsContact OG-NE2 3.16Å; S92-Q99 PolarHBondContact OG-OE1 3.29Å; W94-Q99 PolarHBondContact O-NE2 3.25Å; T96-Q99 VanDerWaalsContact O-CG 3.24Å; T96-Q99 WeakPolarHBondContact O-CG 3.49Å; T96-Q99 PolarHBondContact O-NE2 2.96Å; I97-Q99 HydrophobicContact CD1-CG 4.19Å; Q99-F101 HydrophobicContact CB-CE2 4Å; Q99-F106 HydrophobicContact CB-CE2 4.07Å; Q99-F106 HydrophobicContact CG-CE2 4.1Å
100	L	98.9	Very high	97.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.4	178.8	179.3	64.1	0	0	0	110.8	V43 L45 L66 I102 V107 G108 V113	V43-L100 HydrophobicContact CG1-CD1 3.79Å; L45-L100 HydrophobicContact CD1-CB 4.3Å; L45-L100 HydrophobicContact CD1-CD1 4.48Å; L66-L100 HydrophobicContact CD1-CD1 4.09Å; L66-L100 HydrophobicContact CD2-CD1 3.89Å; L66-L100 HydrophobicContact CD2-CD2 3.96Å; L100-I102 HydrophobicContact CD2-CD1 4.2Å; L100-I102 HydrophobicContact CD2-CG1 4.45Å; L100-I102 HydrophobicContact CG-CG1 4.32Å; L100-V107 HydrophobicContact CB-CB 4.31Å; L100-V107 HydrophobicContact CD2-CB 4.26Å; L100-V107 HydrophobicContact CD2-CG1 4.18Å; L100-V107 HydrophobicContact CG-CB 4.19Å; L100-V107 HydrophobicContact CG-CG2 4.35Å; L100-V107 WeakPolarHBondContact O-CB 3.41Å; L100-V107 PolarHBondContact O-N 3.18Å; L100-G108 PolarHBondContact N-O 2.9Å; L100-V113 HydrophobicContact CB-CG2 3.91Å; L100-V113 HydrophobicContact CD2-CG1 4.04Å; L100-V113 HydrophobicContact CD2-CG2 3.65Å; L100-V113 HydrophobicContact CG-CG2 4.44Å
101	F	98.8	Very high	97.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.2	170	-66.5	-101.9	0	0	0	109.8	V38 V43 V44 F46 I88 Y91 Q99 E105 F106	V38-F101 HydrophobicContact CB-CB 4.35Å; V38-F101 HydrophobicContact CB-CD1 3.98Å; V38-F101 HydrophobicContact CB-CG 4.14Å; V38-F101 HydrophobicContact CG1-CB 4.39Å; V38-F101 HydrophobicContact CG1-CD1 3.62Å; V38-F101 HydrophobicContact CG1-CD2 3.97Å; V38-F101 HydrophobicContact CG1-CE1 3.79Å; V38-F101 HydrophobicContact CG1-CE2 4.14Å; V38-F101 HydrophobicContact CG1-CG 3.72Å; V38-F101 HydrophobicContact CG1-CZ 4.05Å; V43-F101 WeakPolarHBondContact CA-O 3.03Å; V44-F101 HydrophobicContact CB-CB 4.35Å; V44-F101 PolarHBondContact N-O 3.3Å; V44-F101 PolarHBondContact O-N 2.89Å; F46-F101 AromaticContact CD2-CD2 3.91Å; F46-F101 HydrophobicContact CD2-CD2 3.91Å; F46-F101 AromaticContact CD2-CE2 3.85Å; F46-F101 HydrophobicContact CD2-CE2 3.85Å; F46-F101 AromaticContact CE2-CD2 3.81Å; F46-F101 HydrophobicContact CE2-CD2 3.81Å; F46-F101 AromaticContact CE2-CE2 3.86Å; F46-F101 HydrophobicContact CE2-CE2 3.86Å; I88-F101 HydrophobicContact CD1-CE2 3.7Å; I88-F101 HydrophobicContact CD1-CZ 3.76Å; I88-F101 HydrophobicContact CG1-CE2 4.28Å; Y91-F101 HydrophobicContact CD1-CE1 4.16Å; Y91-F101 HydrophobicContact CD1-CZ 4.18Å; Y91-F101 AromaticContact CE1-CE1 3.81Å; Y91-F101 HydrophobicContact CE1-CE1 3.81Å; Y91-F101 HydrophobicContact CE1-CZ 4.29Å; Q99-F101 HydrophobicContact CB-CE2 4Å; F101-E105 CarbonylContact C-O 3.55Å; F101-E105 WeakPolarHBondContact CA-O 3.21Å; F101-F106 HydrophobicContact CD1-CB 4.07Å; F101-F106 HydrophobicContact CE1-CB 3.65Å; F101-F106 AromaticContact CE1-CD2 3.95Å; F101-F106 HydrophobicContact CE1-CD2 3.95Å; F101-F106 HydrophobicContact CE1-CG 4.24Å; F101-F106 HydrophobicContact CE2-CD2 4.01Å; F101-F106 HydrophobicContact CZ-CB 4.23Å; F101-F106 AromaticContact CZ-CD2 3.67Å; F101-F106 HydrophobicContact CZ-CD2 3.67Å; F101-F106 HydrophobicContact CZ-CG 4.34Å
102	I	98.6	Very high	97.9	Very high	5 Å²	5	45 Å²	45	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.1	174.5	-65.9	175	0	0	0	108	K42 V43 L100 G104 E105 V107 L122 I125 L126 A129 I131	K42-I102 CarbonylContact O-C 3.54Å; K42-I102 VanDerWaalsContact O-CA 3.3Å; K42-I102 WeakPolarHBondContact O-CA 3.22Å; V43-I102 HydrophobicContact CG1-CG1 4.5Å; L100-I102 HydrophobicContact CD2-CD1 4.2Å; L100-I102 HydrophobicContact CD2-CG1 4.45Å; L100-I102 HydrophobicContact CG-CG1 4.32Å; I102-G104 PolarHBondContact O-N 2.96Å; I102-E105 PolarHBondContact N-O 3.37Å; I102-E105 WeakPolarHBondContact O-CB 3.37Å; I102-E105 PolarHBondContact O-N 2.97Å; I102-V107 HydrophobicContact CB-CG2 3.86Å; I102-V107 HydrophobicContact CD1-CG2 3.88Å; I102-V107 HydrophobicContact CG1-CG2 3.77Å; I102-L122 HydrophobicContact CD1-CD1 4.01Å; I102-I125 HydrophobicContact CB-CG2 4.32Å; I102-I125 HydrophobicContact CD1-CG2 3.85Å; I102-I125 HydrophobicContact CG2-CG2 4.22Å; I102-L126 HydrophobicContact CD1-CD2 3.82Å; I102-L126 HydrophobicContact CD1-CG 4.4Å; I102-A129 HydrophobicContact CG2-CB 3.54Å; I102-I131 HydrophobicContact CG2-CD1 4.11Å
103	D	97.6	Very high	98	Very high	93 Å²	93	44.1 Å²	44.1	50%	0.497	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	34.6	-176.5	-150.6	36.9	0	0	0	113.3	K42 E105 A129	K42-D103 PolarHBondContact O-N 3.3Å; D103-E105 PolarHBondContact O-N 3.33Å; D103-A129 HydrophobicContact CB-CB 4.06Å
104	G	97.7	Very high	98.1	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-9.2	-175.9	0	0	0	0	0	114.9	I102	I102-G104 PolarHBondContact O-N 2.96Å
105	E	98	Very high	98.1	Very high	143 Å²	143	41 Å²	41	67%	0.668	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.4	-179.9	-65.2	-63.5	149	0	0	111.6	F101 I102 D103 V107	F101-E105 CarbonylContact C-O 3.55Å; F101-E105 WeakPolarHBondContact CA-O 3.21Å; I102-E105 PolarHBondContact N-O 3.37Å; I102-E105 WeakPolarHBondContact O-CB 3.37Å; I102-E105 PolarHBondContact O-N 2.97Å; D103-E105 PolarHBondContact O-N 3.33Å; E105-V107 PolarHBondContact O-N 3.21Å
106	F	98.3	Very high	98.2	Very high	69 Å²	69	37.6 Å²	37.6	30%	0.303	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.9	176.8	178.3	-121.7	0	0	0	110.8	W94 Q99 F101 G108	W94-F106 HydrophobicContact CB-CE1 4.17Å; W94-F106 HydrophobicContact CB-CE2 4.47Å; W94-F106 HydrophobicContact CB-CZ 3.73Å; W94-F106 HydrophobicContact CD2-CE1 4.12Å; W94-F106 AromaticContact CD2-CZ 3.77Å; W94-F106 HydrophobicContact CD2-CZ 3.77Å; W94-F106 AromaticContact CE3-CE1 4Å; W94-F106 HydrophobicContact CE3-CE1 4Å; W94-F106 HydrophobicContact CE3-CZ 4.14Å; W94-F106 HydrophobicContact CG-CE1 4.21Å; W94-F106 HydrophobicContact CG-CE2 4.49Å; W94-F106 AromaticContact CG-CZ 3.57Å; W94-F106 HydrophobicContact CG-CZ 3.57Å; Q99-F106 HydrophobicContact CB-CE2 4.07Å; Q99-F106 HydrophobicContact CG-CE2 4.1Å; F101-F106 HydrophobicContact CD1-CB 4.07Å; F101-F106 HydrophobicContact CE1-CB 3.65Å; F101-F106 AromaticContact CE1-CD2 3.95Å; F101-F106 HydrophobicContact CE1-CD2 3.95Å; F101-F106 HydrophobicContact CE1-CG 4.24Å; F101-F106 HydrophobicContact CE2-CD2 4.01Å; F101-F106 HydrophobicContact CZ-CB 4.23Å; F101-F106 AromaticContact CZ-CD2 3.67Å; F101-F106 HydrophobicContact CZ-CD2 3.67Å; F101-F106 HydrophobicContact CZ-CG 4.34Å; F106-G108 VanDerWaalsContact CZ-CA 3.47Å
107	V	98.5	Very high	98.3	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.145	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-43.1	179.3	-180	0	0	0	0	111.5	L100 I102 E105 V113 L116 I125	L100-V107 HydrophobicContact CB-CB 4.31Å; L100-V107 HydrophobicContact CD2-CB 4.26Å; L100-V107 HydrophobicContact CD2-CG1 4.18Å; L100-V107 HydrophobicContact CG-CB 4.19Å; L100-V107 HydrophobicContact CG-CG2 4.35Å; L100-V107 WeakPolarHBondContact O-CB 3.41Å; L100-V107 PolarHBondContact O-N 3.18Å; I102-V107 HydrophobicContact CB-CG2 3.86Å; I102-V107 HydrophobicContact CD1-CG2 3.88Å; I102-V107 HydrophobicContact CG1-CG2 3.77Å; E105-V107 PolarHBondContact O-N 3.21Å; V107-V113 HydrophobicContact CG1-CG2 4.25Å; V107-L116 HydrophobicContact CG1-CD1 3.64Å; V107-I125 HydrophobicContact CG1-CD1 4.4Å
108	G	98.2	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-177.9	-179.3	0	0	0	0	0	114.7	L100 F106	L100-G108 PolarHBondContact N-O 2.9Å; F106-G108 VanDerWaalsContact CZ-CA 3.47Å
109	G	98.2	Very high	98.1	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	23%	0.233	C	C	.	.			trans	-81.1	-176.6	168.5	0	0	0	0	0	113.3	P98 D111 I112 V113	P98-G109 VanDerWaalsContact O-CA 3.3Å; P98-G109 WeakPolarHBondContact O-CA 3.42Å; G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å; G109-I112 PolarHBondContact O-N 3.41Å; G109-V113 VanDerWaalsContact O-CG2 3.26Å; G109-V113 WeakPolarHBondContact O-CG2 3.35Å; G109-V113 PolarHBondContact O-N 3.01Å
110	A	98.1	Very high	98	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-40.6	-175.9	0	0	0	0	0	114.1	F58 L61 P98 V113 L114	F58-A110 HydrophobicContact CB-CB 3.89Å; F58-A110 HydrophobicContact CD1-CB 4.06Å; F58-A110 HydrophobicContact CG-CB 4.46Å; F58-A110 WeakPolarHBondContact O-CB 3.34Å; L61-A110 HydrophobicContact CD2-CB 4.22Å; P98-A110 HydrophobicContact CG-CB 3.81Å; A110-V113 PolarHBondContact O-N 3.37Å; A110-L114 WeakPolarHBondContact O-CB 3.5Å; A110-L114 PolarHBondContact O-N 2.94Å
111	D	97.9	Very high	97.9	Very high	101 Å²	101	53.2 Å²	53.2	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-69.2	-42.1	-177.4	-58.6	-45.8	0	0	0	112.1	G109 L114 E115	G109-D111 VanDerWaalsContact C-N 3.34Å; G109-D111 PolarHBondContact O-N 3.49Å; D111-L114 WeakPolarHBondContact O-CB 3.4Å; D111-L114 PolarHBondContact O-N 3.09Å; D111-E115 PolarHBondContact O-N 3.21Å
112	I	98.5	Very high	97.9	Very high	55 Å²	55	53.1 Å²	53.1	28%	0.282	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-45.8	174.7	-66.8	171	0	0	0	109.8	W94 G109 L114 E115 L116	W94-I112 HydrophobicContact CH2-CD1 3.47Å; W94-I112 VanDerWaalsContact CH2-CD1 3.47Å; W94-I112 HydrophobicContact CZ2-CD1 3.75Å; W94-I112 HydrophobicContact CZ3-CD1 4.23Å; G109-I112 PolarHBondContact O-N 3.41Å; I112-L114 VanDerWaalsContact C-N 3.26Å; I112-L114 PolarHBondContact O-N 3.33Å; I112-E115 PolarHBondContact O-N 3.11Å; I112-E115 VanDerWaalsContact O-N 3.13Å; I112-L116 HydrophobicContact CG2-CD1 3.82Å; I112-L116 HydrophobicContact CG2-CG 4.2Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.35Å; I112-L116 PolarHBondContact O-N 3.47Å
113	V	98.5	Very high	97.8	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-36.8	177.9	173.5	0	0	0	0	111.2	I65 L100 V107 G109 A110 H117 L122	I65-V113 HydrophobicContact CB-CG1 4.37Å; I65-V113 HydrophobicContact CD1-CG1 4Å; I65-V113 HydrophobicContact CG2-CG1 3.89Å; L100-V113 HydrophobicContact CB-CG2 3.91Å; L100-V113 HydrophobicContact CD2-CG1 4.04Å; L100-V113 HydrophobicContact CD2-CG2 3.65Å; L100-V113 HydrophobicContact CG-CG2 4.44Å; V107-V113 HydrophobicContact CG1-CG2 4.25Å; G109-V113 VanDerWaalsContact O-CG2 3.26Å; G109-V113 WeakPolarHBondContact O-CG2 3.35Å; G109-V113 PolarHBondContact O-N 3.01Å; A110-V113 PolarHBondContact O-N 3.37Å; V113-H117 WeakPolarHBondContact O-CB 3.34Å; V113-H117 PolarHBondContact O-N 2.62Å; V113-L122 HydrophobicContact CG1-CD2 4.34Å
114	L	98.5	Very high	97.8	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-41.2	173.7	178.3	61.8	0	0	0	112.4	L61 I65 A110 D111 I112 H117 K118	L61-L114 HydrophobicContact CD1-CD1 4.3Å; L61-L114 HydrophobicContact CD2-CB 4.37Å; L61-L114 HydrophobicContact CD2-CD2 4.07Å; I65-L114 HydrophobicContact CD1-CB 3.93Å; I65-L114 HydrophobicContact CD1-CD1 4.07Å; A110-L114 WeakPolarHBondContact O-CB 3.5Å; A110-L114 PolarHBondContact O-N 2.94Å; D111-L114 WeakPolarHBondContact O-CB 3.4Å; D111-L114 PolarHBondContact O-N 3.09Å; I112-L114 VanDerWaalsContact C-N 3.26Å; I112-L114 PolarHBondContact O-N 3.33Å; L114-H117 PolarHBondContact O-N 2.84Å; L114-K118 HydrophobicContact CD1-CD 4.32Å; L114-K118 HydrophobicContact CD1-CG 4.33Å; L114-K118 HydrophobicContact CG-CD 4.23Å; L114-K118 WeakPolarHBondContact O-CB 3.42Å; L114-K118 VanDerWaalsContact O-CG 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.42Å; L114-K118 PolarHBondContact O-N 3.5Å
115	E	98.6	Very high	97.8	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.584	28%	0.28	S	S	*	.	H	α-helix	trans	-64.6	-49.4	176.8	-174.7	174.9	-176.1	0	0	111.6	D111 I112 H117 K118 N119	D111-E115 PolarHBondContact O-N 3.21Å; I112-E115 PolarHBondContact O-N 3.11Å; I112-E115 VanDerWaalsContact O-N 3.13Å; E115-H117 PolarHBondContact O-N 3.03Å; E115-K118 PolarHBondContact O-N 3.05Å; E115-K118 VanDerWaalsContact O-N 3.1Å; E115-N119 PolarHBondContact O-N 3.28Å; E115-N119 PolarHBondContact O-ND2 2.92Å; E115-N119 PolarHBondContact O-OD1 3.37Å
116	L	98.3	Very high	97.8	Very high	24 Å²	24	48.8 Å²	48.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-35.8	175.9	-66.7	172.8	0	0	0	112.1	V107 I112 N119 G120 Q121 L122 I125	V107-L116 HydrophobicContact CG1-CD1 3.64Å; I112-L116 HydrophobicContact CG2-CD1 3.82Å; I112-L116 HydrophobicContact CG2-CG 4.2Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 VanDerWaalsContact O-CG 3.29Å; I112-L116 WeakPolarHBondContact O-CG 3.35Å; I112-L116 PolarHBondContact O-N 3.47Å; L116-N119 VanDerWaalsContact CA-OD1 3.32Å; L116-N119 WeakPolarHBondContact CA-OD1 3.25Å; L116-N119 PolarHBondContact O-OD1 3.42Å; L116-G120 CarbonylContact O-C 3.52Å; L116-G120 PolarHBondContact O-N 2.95Å; L116-Q121 HydrophobicContact CD2-CB 3.74Å; L116-Q121 PolarHBondContact O-N 2.86Å; L116-L122 HydrophobicContact CB-CB 4Å; L116-L122 WeakPolarHBondContact O-CB 3.43Å; L116-L122 PolarHBondContact O-N 2.9Å; L116-I125 HydrophobicContact CD1-CD1 3.91Å; L116-I125 HydrophobicContact CD2-CD1 4.36Å
117	H	97.2	Very high	97.6	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-50.3	173.2	165.8	71	0	0	0	111.2	I65 Y68 H69 V113 L114 E115 N119 G120 L122	I65-H117 HydrophobicContact CG2-CB 3.84Å; Y68-H117 AromaticContact CD1-CE1 3.44Å; Y68-H117 VanDerWaalsContact CD1-CE1 3.44Å; Y68-H117 WeakPolarHBondContact CD1-CE1 3.48Å; Y68-H117 AromaticContact CE1-CE1 3.52Å; H69-H117 AromaticContact CD2-ND1 3.76Å; H69-H117 AromaticContact CE1-ND1 3.78Å; H69-H117 AromaticContact NE2-CE1 3.78Å; H69-H117 AromaticContact NE2-CG 3.9Å; H69-H117 AromaticContact NE2-ND1 2.89Å; H69-H117 PolarHBondContact NE2-ND1 3.02Å; V113-H117 WeakPolarHBondContact O-CB 3.34Å; V113-H117 PolarHBondContact O-N 2.62Å; L114-H117 PolarHBondContact O-N 2.84Å; E115-H117 PolarHBondContact O-N 3.03Å; H117-N119 VanDerWaalsContact C-N 3.33Å; H117-N119 PolarHBondContact O-N 2.99Å; H117-G120 PolarHBondContact O-N 3.39Å; H117-L122 HydrophobicContact CB-CD2 4.15Å
118	K	97.1	Very high	97.6	Very high	157 Å²	157	58.9 Å²	58.9	68%	0.683	29%	0.286	S	S	*	.	H	α-helix	trans	-63.6	-35.8	-177.1	-77.2	173.4	175.6	177.1	0	113.4	L114 E115	L114-K118 HydrophobicContact CD1-CD 4.32Å; L114-K118 HydrophobicContact CD1-CG 4.33Å; L114-K118 HydrophobicContact CG-CD 4.23Å; L114-K118 WeakPolarHBondContact O-CB 3.42Å; L114-K118 VanDerWaalsContact O-CG 3.3Å; L114-K118 WeakPolarHBondContact O-CG 3.42Å; L114-K118 PolarHBondContact O-N 3.5Å; E115-K118 PolarHBondContact O-N 3.05Å; E115-K118 VanDerWaalsContact O-N 3.1Å
119	N	97	Very high	97.5	Very high	76 Å²	76	59.4 Å²	59.4	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.4	-177.6	71.6	16.9	0	0	0	113.4	E115 L116 H117 Q121	E115-N119 PolarHBondContact O-N 3.28Å; E115-N119 PolarHBondContact O-ND2 2.92Å; E115-N119 PolarHBondContact O-OD1 3.37Å; L116-N119 VanDerWaalsContact CA-OD1 3.32Å; L116-N119 WeakPolarHBondContact CA-OD1 3.25Å; L116-N119 PolarHBondContact O-OD1 3.42Å; H117-N119 VanDerWaalsContact C-N 3.33Å; H117-N119 PolarHBondContact O-N 2.99Å; N119-Q121 PolarHBondContact ND2-OE1 3.32Å; N119-Q121 PolarHBondContact O-N 3.16Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.38Å; N119-Q121 WeakPolarHBondContact OD1-CG 3.36Å; N119-Q121 PolarHBondContact OD1-N 2.68Å; N119-Q121 PolarHBondContact OD1-OE1 3.05Å
120	G	95.9	Very high	97.4	Very high	32 Å²	32	62 Å²	62	33%	0.33	32%	0.316	S	S	.	.	S	Bend	trans	78.6	-7	178.8	0	0	0	0	0	115.3	L116 H117 L122 V123	L116-G120 CarbonylContact O-C 3.52Å; L116-G120 PolarHBondContact O-N 2.95Å; H117-G120 PolarHBondContact O-N 3.39Å; G120-L122 PolarHBondContact O-N 3.08Å; G120-V123 WeakPolarHBondContact O-CB 3.2Å; G120-V123 PolarHBondContact O-N 2.94Å; G120-V123 VanDerWaalsContact O-N 3.11Å
121	Q	97.3	Very high	97.3	Very high	104 Å²	104	63.1 Å²	63.1	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-25.7	-178.9	-68	-177.5	-55.4	0	0	113.1	L116 N119 V123 E124 I125	L116-Q121 HydrophobicContact CD2-CB 3.74Å; L116-Q121 PolarHBondContact O-N 2.86Å; N119-Q121 PolarHBondContact ND2-OE1 3.32Å; N119-Q121 PolarHBondContact O-N 3.16Å; N119-Q121 WeakPolarHBondContact OD1-CB 3.38Å; N119-Q121 WeakPolarHBondContact OD1-CG 3.36Å; N119-Q121 PolarHBondContact OD1-N 2.68Å; N119-Q121 PolarHBondContact OD1-OE1 3.05Å; Q121-V123 VanDerWaalsContact C-N 3.28Å; Q121-V123 PolarHBondContact O-N 2.78Å; Q121-E124 WeakPolarHBondContact O-CB 3.47Å; Q121-E124 PolarHBondContact O-N 2.85Å; Q121-E124 VanDerWaalsContact O-N 3.15Å; Q121-I125 WeakPolarHBondContact O-CG1 3.22Å; Q121-I125 PolarHBondContact O-N 3.31Å
122	L	97.8	Very high	97.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-38	174.9	-176	56.2	0	0	0	111.6	I65 I102 V113 L116 H117 G120 E124 I125 L126	I65-L122 HydrophobicContact CG2-CD2 3.71Å; I102-L122 HydrophobicContact CD1-CD1 4.01Å; V113-L122 HydrophobicContact CG1-CD2 4.34Å; L116-L122 HydrophobicContact CB-CB 4Å; L116-L122 WeakPolarHBondContact O-CB 3.43Å; L116-L122 PolarHBondContact O-N 2.9Å; H117-L122 HydrophobicContact CB-CD2 4.15Å; G120-L122 PolarHBondContact O-N 3.08Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 2.86Å; L122-I125 PolarHBondContact O-N 3.32Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.14Å; L122-L126 WeakPolarHBondContact O-CD1 3.33Å; L122-L126 VanDerWaalsContact O-CG 3.22Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.49Å
123	V	97.1	Very high	97.1	Very high	19 Å²	19	63.9 Å²	63.9	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-40.2	175.3	177.8	0	0	0	0	110.5	G120 Q121 I125 L126 R127 D136	G120-V123 WeakPolarHBondContact O-CB 3.2Å; G120-V123 PolarHBondContact O-N 2.94Å; G120-V123 VanDerWaalsContact O-N 3.11Å; Q121-V123 VanDerWaalsContact C-N 3.28Å; Q121-V123 PolarHBondContact O-N 2.78Å; V123-I125 PolarHBondContact O-N 3.44Å; V123-L126 PolarHBondContact O-N 3.31Å; V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 PolarHBondContact O-N 3.49Å; V123-D136 HydrophobicContact CG1-CB 3.81Å
124	E	96.8	Very high	96.9	Very high	85 Å²	85	67.9 Å²	67.9	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-38.8	177.3	-61.4	-53.7	152.5	0	0	113.3	Q121 L122 R127 K128	Q121-E124 WeakPolarHBondContact O-CB 3.47Å; Q121-E124 PolarHBondContact O-N 2.85Å; Q121-E124 VanDerWaalsContact O-N 3.15Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 2.86Å; E124-R127 PolarHBondContact O-N 3.18Å; E124-R127 IonicContact OE2-CZ 3.2Å; E124-R127 IonicContact OE2-NE 2.81Å; E124-R127 PolarHBondContact OE2-NE 3.27Å; E124-R127 IonicContact OE2-NH2 2.73Å; E124-R127 PolarHBondContact OE2-NH2 3.38Å; E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.91Å
125	I	97.6	Very high	96.4	Very high	54 Å²	54	67.8 Å²	67.8	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-47.4	174.1	-66.7	167.2	0	0	0	109.9	I102 V107 L116 Q121 L122 V123 R127 K128 A129	I102-I125 HydrophobicContact CB-CG2 4.32Å; I102-I125 HydrophobicContact CD1-CG2 3.85Å; I102-I125 HydrophobicContact CG2-CG2 4.22Å; V107-I125 HydrophobicContact CG1-CD1 4.4Å; L116-I125 HydrophobicContact CD1-CD1 3.91Å; L116-I125 HydrophobicContact CD2-CD1 4.36Å; Q121-I125 WeakPolarHBondContact O-CG1 3.22Å; Q121-I125 PolarHBondContact O-N 3.31Å; L122-I125 PolarHBondContact O-N 3.32Å; V123-I125 PolarHBondContact O-N 3.44Å; I125-R127 PolarHBondContact O-N 3.11Å; I125-K128 PolarHBondContact O-N 2.92Å; I125-A129 PolarHBondContact O-N 2.92Å
126	L	97.7	Very high	95.8	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-44.8	177.8	-68.7	165.8	0	0	0	111.6	H69 L71 I102 L122 V123 K128 A129 G130 I131	H69-L126 HydrophobicContact CB-CD1 4.37Å; L71-L126 HydrophobicContact CD1-CD1 3.98Å; L71-L126 HydrophobicContact CD1-CD2 3.63Å; L71-L126 HydrophobicContact CD1-CG 4.46Å; L71-L126 HydrophobicContact CD2-CD1 4.06Å; L71-L126 HydrophobicContact CD2-CD2 3.93Å; L71-L126 HydrophobicContact CG-CD2 4.45Å; I102-L126 HydrophobicContact CD1-CD2 3.82Å; I102-L126 HydrophobicContact CD1-CG 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.14Å; L122-L126 WeakPolarHBondContact O-CD1 3.33Å; L122-L126 VanDerWaalsContact O-CG 3.22Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 3.49Å; V123-L126 PolarHBondContact O-N 3.31Å; L126-K128 PolarHBondContact O-N 2.54Å; L126-A129 CarbonylContact O-C 3.45Å; L126-A129 WeakPolarHBondContact O-CA 3.38Å; L126-A129 PolarHBondContact O-N 3Å; L126-A129 VanDerWaalsContact O-N 3.12Å; L126-G130 PolarHBondContact O-N 3.23Å; L126-G130 VanDerWaalsContact O-N 3.13Å; L126-I131 CarbonylContact C-O 3.27Å; L126-I131 VanDerWaalsContact C-O 3.27Å; L126-I131 HydrophobicContact CB-CB 4.24Å; L126-I131 HydrophobicContact CD2-CB 4.13Å; L126-I131 HydrophobicContact CD2-CD1 4.09Å; L126-I131 HydrophobicContact CD2-CG2 4.04Å; L126-I131 PolarHBondContact O-N 3.16Å
127	R	95.9	Very high	94.3	Very high	138 Å²	138	68.7 Å²	68.7	52%	0.521	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-44	177.5	-174	-177.2	61.3	75.5	0.5	111.9	V123 E124 I125 A129 G130	V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 PolarHBondContact O-N 3.49Å; E124-R127 PolarHBondContact O-N 3.18Å; E124-R127 IonicContact OE2-CZ 3.2Å; E124-R127 IonicContact OE2-NE 2.81Å; E124-R127 PolarHBondContact OE2-NE 3.27Å; E124-R127 IonicContact OE2-NH2 2.73Å; E124-R127 PolarHBondContact OE2-NH2 3.38Å; I125-R127 PolarHBondContact O-N 3.11Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 3.13Å; R127-G130 PolarHBondContact O-N 3.07Å
128	K	96.6	Very high	92.3	Very high	167 Å²	167	73 Å²	73	73%	0.726	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-36.5	175.2	-74.3	175.4	-177.5	179.3	0	112.2	E124 I125 L126 G130	E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.91Å; I125-K128 PolarHBondContact O-N 2.92Å; L126-K128 PolarHBondContact O-N 2.54Å; K128-G130 PolarHBondContact O-N 3.49Å
129	A	96.8	Very high	92.1	Very high	10 Å²	10	68.8 Å²	68.8	8%	0.083	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	1	173.4	0	0	0	0	0	113.7	K42 I102 D103 I125 L126 R127 I131	K42-A129 PolarHBondContact NZ-O 2.79Å; I102-A129 HydrophobicContact CG2-CB 3.54Å; D103-A129 HydrophobicContact CB-CB 4.06Å; I125-A129 PolarHBondContact O-N 2.92Å; L126-A129 CarbonylContact O-C 3.45Å; L126-A129 WeakPolarHBondContact O-CA 3.38Å; L126-A129 PolarHBondContact O-N 3Å; L126-A129 VanDerWaalsContact O-N 3.12Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 3.13Å; A129-I131 HydrophobicContact CB-CD1 3.91Å; A129-I131 HydrophobicContact CB-CG1 4.06Å
130	G	96.4	Very high	91.9	Very high	59 Å²	59	68.4 Å²	68.4	61%	0.608	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	36.6	-176.7	0	0	0	0	0	113.1	L126 R127 K128	L126-G130 PolarHBondContact O-N 3.23Å; L126-G130 VanDerWaalsContact O-N 3.13Å; R127-G130 PolarHBondContact O-N 3.07Å; K128-G130 PolarHBondContact O-N 3.49Å
131	I	96.7	Very high	91.6	Very high	28 Å²	28	70.4 Å²	70.4	14%	0.144	40%	0.404	C	S	.	.			trans	-115.5	124.5	178.4	-52.8	171.8	0	0	0	108	K42 V43 L71 I102 L126 A129	K42-I131 HydrophobicContact CB-CD1 3.95Å; K42-I131 HydrophobicContact CD-CD1 4.19Å; K42-I131 HydrophobicContact CD-CG1 3.95Å; V43-I131 HydrophobicContact CG2-CD1 3.58Å; L71-I131 HydrophobicContact CD2-CG2 3.71Å; I102-I131 HydrophobicContact CG2-CD1 4.11Å; L126-I131 CarbonylContact C-O 3.27Å; L126-I131 VanDerWaalsContact C-O 3.27Å; L126-I131 HydrophobicContact CB-CB 4.24Å; L126-I131 HydrophobicContact CD2-CB 4.13Å; L126-I131 HydrophobicContact CD2-CD1 4.09Å; L126-I131 HydrophobicContact CD2-CG2 4.04Å; L126-I131 PolarHBondContact O-N 3.16Å; A129-I131 HydrophobicContact CB-CD1 3.91Å; A129-I131 HydrophobicContact CB-CG1 4.06Å
132	K	95.5	Very high	91.3	Very high	170 Å²	170	68.4 Å²	68.4	74%	0.739	40%	0.399	S	S	*	.			trans	-85.4	127.1	176.1	-172.7	171.4	-177.1	172.3	0	110
133	S	96.1	Very high	90.9	Very high	2 Å²	2	72.7 Å²	72.7	1%	0.014	42%	0.424	C	S	.	.			trans	-86.6	141.3	172.1	149.5	0	0	0	0	110.3	H69 A135 D136	H69-S133 PolarHBondContact ND1-OG 2.99Å; H69-S133 WeakPolarHBondContact O-CA 3.46Å; S133-A135 PolarHBondContact O-N 3.36Å; S133-A135 PolarHBondContact OG-N 3.22Å; S133-D136 VanDerWaalsContact O-CB 3.26Å; S133-D136 WeakPolarHBondContact O-CB 3.39Å; S133-D136 PolarHBondContact O-N 3.38Å; S133-D136 VanDerWaalsContact O-N 3.12Å; S133-D136 PolarHBondContact OG-N 3.16Å
134	S	94.3	Very high	90.5	Very high	86 Å²	86	76.3 Å²	76.3	60%	0.601	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.7	172.3	52.6	0	0	0	0	113.4	Y68 H69 G70 D136	Y68-S134 PolarHBondContact O-OG 2.76Å; H69-S134 PolarHBondContact O-N 2.77Å; H69-S134 PolarHBondContact O-OG 2.68Å; G70-S134 PolarHBondContact N-OG 2.8Å; G70-S134 VanDerWaalsContact N-OG 3.11Å; S134-D136 VanDerWaalsContact C-N 3.3Å
135	A	88.7	Confident	90	Very high	38 Å²	38	75.6 Å²	75.6	31%	0.314	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.8	174.6	0	0	0	0	0	113	Y68 S133 S137	Y68-A135 HydrophobicContact CD1-CB 4.07Å; Y68-A135 HydrophobicContact CE1-CB 3.42Å; Y68-A135 VanDerWaalsContact CE1-CB 3.42Å; S133-A135 PolarHBondContact O-N 3.36Å; S133-A135 PolarHBondContact OG-N 3.22Å; A135-S137 PolarHBondContact O-N 3.47Å
136	D	85.1	Confident	89.4	Confident	46 Å²	46	77.3 Å²	77.3	25%	0.246	46%	0.461	C	S	.	.			trans	-81.8	102.6	176.7	-170	9.9	0	0	0	109	V123 S133 S134 A138	V123-D136 HydrophobicContact CG1-CB 3.81Å; S133-D136 VanDerWaalsContact O-CB 3.26Å; S133-D136 WeakPolarHBondContact O-CB 3.39Å; S133-D136 PolarHBondContact O-N 3.38Å; S133-D136 VanDerWaalsContact O-N 3.12Å; S133-D136 PolarHBondContact OG-N 3.16Å; S134-D136 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.41Å; D136-A138 WeakPolarHBondContact OD1-CB 3.36Å; D136-A138 PolarHBondContact OD1-N 2.97Å
137	S	67.5	Low	88.8	Confident	122 Å²	122	83.8 Å²	83.8	85%	0.853	50%	0.5	S	S	*	.			trans	-88.9	24.7	178.5	53.2	0	0	0	0	113.2	A135	A135-S137 PolarHBondContact O-N 3.47Å
138	A	55.5	Low	88.1	Confident	139 Å²	139	78.8 Å²	78.8	100%	1.149	50%	0.498	S	S	*	.			trans	-61.5	0	172.5	0	0	0	0	0	113.3	D136	D136-A138 PolarHBondContact O-N 3.41Å; D136-A138 WeakPolarHBondContact OD1-CB 3.36Å; D136-A138 PolarHBondContact OD1-N 2.97Å

Retrieved 138 of 138 residues in 213.5 ms (Link to these results)

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