A0A087YGV8_POEFO Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A087YGV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	36.9	Very low	238 Å²	238	134.7 Å²	134.7	100%	1.172	88%	0.882	S	S	*	*				0	123.6	0	-77.3	-179	168.5	0	0	107.7
2	S	36.3	Very low	36.9	Very low	124 Å²	124	133.2 Å²	133.2	87%	0.867	88%	0.876	S	S	*	*			trans	-11.5	120	179.6	-25.5	0	0	0	0	118.7
3	S	31.6	Very low	37.1	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	86%	0.862	S	S	*	*			trans	-110.9	114.4	160.8	-52.3	0	0	0	0	108
4	N	33.3	Very low	37.3	Very low	166 Å²	166	127.4 Å²	127.4	89%	0.888	85%	0.852	S	S	*	*			trans	-96.5	112	175.3	-111.1	5.7	0	0	0	108.7
5	C	32.8	Very low	37.5	Very low	124 Å²	124	132 Å²	132	84%	0.838	85%	0.852	S	S	*	*			trans	-120.5	131.9	161.1	-79.3	0	0	0	0	109
6	T	41.7	Very low	37.7	Very low	147 Å²	147	131.3 Å²	131.3	90%	0.902	84%	0.844	S	S	*	*			trans	-63.1	136.4	175.1	25.2	0	0	0	0	112.3
7	S	35	Very low	38.1	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	85%	0.846	S	S	*	*			trans	-147.3	121.3	155.1	66.2	0	0	0	0	110.6
8	A	43.2	Very low	38.5	Very low	111 Å²	111	134.9 Å²	134.9	92%	0.917	84%	0.843	S	S	*	*			trans	-63.2	134.1	172.2	0	0	0	0	0	110.9
9	A	37.3	Very low	38.7	Very low	95 Å²	95	138 Å²	138	79%	0.785	84%	0.843	S	S	*	*			trans	-117.8	120	167.9	0	0	0	0	0	109.1
10	A	38.1	Very low	39.1	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	85%	0.845	S	S	*	*			trans	-67	132.3	-179	0	0	0	0	0	111.6	S12	A10-S12 PolarHBondContact O-N 3.09Å
11	V	38.3	Very low	39.3	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	84%	0.84	S	S	*	*			trans	-79.6	103	174	-178.3	0	0	0	0	108.9	A13	V11-A13 PolarHBondContact O-N 2.89Å
12	S	36.8	Very low	39.3	Very low	116 Å²	116	140 Å²	140	81%	0.811	82%	0.824	S	S	*	*			trans	-83.2	95.9	169.9	64.4	0	0	0	0	110.1	A10 S14	A10-S12 PolarHBondContact O-N 3.09Å; S12-S14 PolarHBondContact O-N 3.43Å
13	A	39.5	Very low	39.6	Very low	84 Å²	84	142.2 Å²	142.2	69%	0.694	82%	0.819	S	S	*	*			trans	-71.3	107.1	171.7	0	0	0	0	0	110.4	V11 K15	V11-A13 PolarHBondContact O-N 2.89Å; A13-K15 PolarHBondContact O-N 2.79Å; A13-K15 VanDerWaalsContact O-N 3.11Å
14	S	39.6	Very low	39.9	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	82%	0.818	S	S	*	*			trans	-65	104.9	167.8	159.9	0	0	0	0	109.5	S12 T16	S12-S14 PolarHBondContact O-N 3.43Å; S14-T16 PolarHBondContact O-N 2.71Å
15	K	40.6	Very low	40.1	Very low	196 Å²	196	139.2 Å²	139.2	85%	0.852	81%	0.807	S	S	*	*			trans	-73	91.5	170.9	-71.3	-177.6	-180	177.8	0	109.6	A13 K17	A13-K15 PolarHBondContact O-N 2.79Å; A13-K15 VanDerWaalsContact O-N 3.11Å; K15-K17 PolarHBondContact O-N 3.22Å; K15-K17 VanDerWaalsContact O-N 3.07Å
16	T	41.7	Very low	40.3	Very low	120 Å²	120	141.6 Å²	141.6	74%	0.736	81%	0.805	S	S	*	*			trans	-67.4	101.8	162.9	18.3	0	0	0	0	108.5	S14 T18	S14-T16 PolarHBondContact O-N 2.71Å; T16-T18 PolarHBondContact O-N 3.48Å
17	K	44.3	Very low	40.4	Very low	199 Å²	199	144.4 Å²	144.4	87%	0.865	81%	0.805	S	S	*	*			trans	-64.2	98.3	170.4	-73.9	-177.2	178.4	178.3	0	108.7	K15 K19	K15-K17 PolarHBondContact O-N 3.22Å; K15-K17 VanDerWaalsContact O-N 3.07Å; K17-K19 PolarHBondContact O-N 3.12Å
18	T	44	Very low	41.4	Very low	130 Å²	130	143.6 Å²	143.6	80%	0.798	80%	0.795	S	S	*	*			trans	-67	98.8	164.7	38.3	0	0	0	0	107.9	T16 K20	T16-T18 PolarHBondContact O-N 3.48Å; T18-K20 PolarHBondContact O-N 3.33Å
19	K	43.4	Very low	42.3	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	77%	0.771	S	S	*	*			trans	-59.1	107.8	164.9	-78.1	-175.4	175.5	-178.9	0	106.7	K17 K21	K17-K19 PolarHBondContact O-N 3.12Å; K19-K21 VanDerWaalsContact C-N 3.32Å; K19-K21 PolarHBondContact O-N 3.06Å
20	K	45.8	Very low	44	Very low	206 Å²	206	142.9 Å²	142.9	90%	0.896	76%	0.757	S	S	*	*			trans	-57.4	101.3	165.5	-85.2	-177	174.7	-179.9	0	106.5	T18 H22	T18-K20 PolarHBondContact O-N 3.33Å; K20-H22 PolarHBondContact O-N 3.36Å; K20-H22 VanDerWaalsContact O-N 3.08Å
21	K	44.2	Very low	46	Very low	167 Å²	167	138.7 Å²	138.7	73%	0.726	72%	0.72	S	S	*	*			trans	-64.5	110.3	168.8	-69.7	-174.3	179.4	-178.4	0	105.6	K19 F23	K19-K21 VanDerWaalsContact C-N 3.32Å; K19-K21 PolarHBondContact O-N 3.06Å; K21-F23 VanDerWaalsContact C-N 3.25Å; K21-F23 HydrophobicContact CB-CD2 4.18Å; K21-F23 HydrophobicContact CB-CE2 3.9Å; K21-F23 HydrophobicContact CD-CZ 4.43Å; K21-F23 PolarHBondContact O-N 3.29Å
22	H	38	Very low	47.9	Very low	182 Å²	182	138.4 Å²	138.4	84%	0.843	70%	0.704	S	S	*	*			trans	-68.2	95.3	165.9	-126.6	-58.1	0	0	0	105.8	K20 I24	K20-H22 PolarHBondContact O-N 3.36Å; K20-H22 VanDerWaalsContact O-N 3.08Å; H22-I24 PolarHBondContact O-N 2.93Å; H22-I24 VanDerWaalsContact O-N 3.07Å
23	F	42.5	Very low	49.9	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.754	68%	0.676	S	S	*	*			trans	-67.8	105.5	163.7	-73.8	-87.6	0	0	0	105.4	K21 G25	K21-F23 VanDerWaalsContact C-N 3.25Å; K21-F23 HydrophobicContact CB-CD2 4.18Å; K21-F23 HydrophobicContact CB-CE2 3.9Å; K21-F23 HydrophobicContact CD-CZ 4.43Å; K21-F23 PolarHBondContact O-N 3.29Å; F23-G25 VanDerWaalsContact C-N 3.28Å; F23-G25 PolarHBondContact O-N 2.88Å
24	I	38.2	Very low	51.8	Low	158 Å²	158	135.9 Å²	135.9	81%	0.81	68%	0.683	S	S	*	*			trans	-63.3	103.9	160.1	-62.9	168.8	0	0	0	103.4	H22 Q26	H22-I24 PolarHBondContact O-N 2.93Å; H22-I24 VanDerWaalsContact O-N 3.07Å; I24-Q26 PolarHBondContact O-N 2.71Å
25	G	36.3	Very low	53.9	Low	63 Å²	63	133.3 Å²	133.3	65%	0.649	66%	0.659	S	S	*	*			trans	-55.8	111.2	171.9	0	0	0	0	0	106.9	F23 K27	F23-G25 VanDerWaalsContact C-N 3.28Å; F23-G25 PolarHBondContact O-N 2.88Å; G25-K27 PolarHBondContact O-N 3.25Å
26	Q	38.2	Very low	56.2	Low	173 Å²	173	127.1 Å²	127.1	81%	0.808	64%	0.639	S	S	*	*			trans	-58.2	115.7	171.2	-170.1	172.5	4.8	0	0	105.4	I24 V28	I24-Q26 PolarHBondContact O-N 2.71Å; Q26-V28 HydrophobicContact CB-CG2 4.33Å; Q26-V28 HydrophobicContact CG-CG2 4.28Å; Q26-V28 PolarHBondContact O-N 2.82Å
27	K	42.8	Very low	58.5	Low	207 Å²	207	122.6 Å²	122.6	90%	0.9	61%	0.61	S	S	*	*			trans	-66.9	83.2	172.7	-74.9	-174.4	178.4	-178.6	0	107.1	G25 K29	G25-K27 PolarHBondContact O-N 3.25Å; K27-K29 PolarHBondContact O-N 2.84Å
28	V	56.9	Low	60.8	Low	97 Å²	97	113.3 Å²	113.3	59%	0.588	57%	0.57	S	S	*	*			trans	-70.6	119.6	175.8	-176.8	0	0	0	0	106.5	Q26 L30	Q26-V28 HydrophobicContact CB-CG2 4.33Å; Q26-V28 HydrophobicContact CG-CG2 4.28Å; Q26-V28 PolarHBondContact O-N 2.82Å; V28-L30 PolarHBondContact O-N 3.04Å; V28-L30 VanDerWaalsContact O-N 3.13Å
29	K	62.9	Low	63.1	Low	96 Å²	96	107.2 Å²	107.2	42%	0.417	53%	0.533	S	S	.	.			trans	-55.3	119.9	170.9	-78.4	-176.3	176	178.7	0	107.9	K27 F31 N114	K27-K29 PolarHBondContact O-N 2.84Å; K29-F31 HydrophobicContact CB-CE1 3.88Å; K29-F31 HydrophobicContact CB-CE2 4.26Å; K29-F31 HydrophobicContact CB-CZ 3.63Å; K29-F31 HydrophobicContact CD-CE1 4.27Å; K29-F31 HydrophobicContact CD-CZ 4.26Å; K29-N114 PolarHBondContact NZ-OD1 2.83Å
30	L	72.8	Confident	65.5	Low	95 Å²	95	98 Å²	98	50%	0.497	49%	0.493	S	S	.	.			trans	-89.2	108.7	177.3	-61.3	-177.7	0	0	0	108.4	V28 R32	V28-L30 PolarHBondContact O-N 3.04Å; V28-L30 VanDerWaalsContact O-N 3.13Å; L30-R32 PolarHBondContact O-N 2.79Å
31	F	79.6	Confident	67.9	Low	15 Å²	15	88.3 Å²	88.3	7%	0.066	45%	0.451	C	S	.	.			trans	-84.6	91.1	176.5	-54.7	-63.8	0	0	0	109.1	K29 S39 M42 W43 N46 N83	K29-F31 HydrophobicContact CB-CE1 3.88Å; K29-F31 HydrophobicContact CB-CE2 4.26Å; K29-F31 HydrophobicContact CB-CZ 3.63Å; K29-F31 HydrophobicContact CD-CE1 4.27Å; K29-F31 HydrophobicContact CD-CZ 4.26Å; F31-S39 WeakPolarHBondContact O-CB 3.42Å; F31-S39 PolarHBondContact O-OG 3.24Å; F31-M42 HydrophobicContact CB-CB 4.09Å; F31-M42 HydrophobicContact CB-CE 4.24Å; F31-M42 HydrophobicContact CD1-CB 3.67Å; F31-M42 HydrophobicContact CE1-CB 4.46Å; F31-M42 HydrophobicContact CG-CB 4.05Å; F31-W43 HydrophobicContact CD2-CB 3.85Å; F31-W43 AromaticContact CD2-CD1 3.87Å; F31-W43 HydrophobicContact CD2-CG 4.28Å; F31-W43 HydrophobicContact CE2-CB 4.46Å; F31-W43 HydrophobicContact CG-CB 4.35Å; F31-N46 HydrophobicContact CE1-CB 4.15Å; F31-N46 HydrophobicContact CE2-CB 4.1Å; F31-N46 HydrophobicContact CZ-CB 3.52Å; F31-N46 VanDerWaalsContact CZ-CG 3.42Å; F31-N83 VanDerWaalsContact O-O 3.04Å
32	R	78.1	Confident	70.3	Confident	135 Å²	135	80.6 Å²	80.6	51%	0.509	42%	0.417	S	S	.	.			trans	-111.7	130.8	177.3	-70.7	176.7	169.7	154.3	2.6	109.5	L30 E82 N83	L30-R32 PolarHBondContact O-N 2.79Å; R32-E82 IonicContact NH2-OE2 3.01Å; R32-N83 HydrophobicContact CG-CB 4.08Å; R32-N83 PolarHBondContact NE-OD1 2.97Å; R32-N83 PolarHBondContact NH2-OD1 3.35Å
33	A	77.8	Confident	73	Confident	29 Å²	29	74.2 Å²	74.2	24%	0.24	39%	0.386	C	S	.	.			trans	-142.8	158.4	171.4	0	0	0	0	0	109.5	E35 L38 S39 M42 A120	A33-E35 PolarHBondContact O-N 3.37Å; A33-L38 HydrophobicContact CB-CB 3.6Å; A33-L38 HydrophobicContact CB-CD1 4.42Å; A33-S39 PolarHBondContact N-OG 3.38Å; A33-S39 VanDerWaalsContact N-OG 3.1Å; A33-M42 HydrophobicContact CB-CE 3.92Å; A33-A120 HydrophobicContact CB-CB 3.91Å
34	S	79.4	Confident	75.6	Confident	119 Å²	119	66 Å²	66	83%	0.832	35%	0.35	S	S	*	.	S	Bend	trans	-60.3	-35.8	174.3	51.1	0	0	0	0	111.9
35	E	85.4	Confident	78.3	Confident	47 Å²	47	58.5 Å²	58.5	22%	0.22	31%	0.311	C	S	.	.	S	Bend	trans	-101.3	126.9	176.1	-60.6	-163.9	-177.5	0	0	111.9	A33 I37 L38 S39 R133	A33-E35 PolarHBondContact O-N 3.37Å; E35-I37 HydrophobicContact CB-CG2 4.04Å; E35-I37 PolarHBondContact O-N 3.02Å; E35-I37 VanDerWaalsContact O-N 3.08Å; E35-L38 HydrophobicContact CB-CD1 4.2Å; E35-L38 HydrophobicContact CB-CG 4.13Å; E35-L38 PolarHBondContact O-N 3.37Å; E35-S39 PolarHBondContact O-N 3.24Å; E35-R133 VanDerWaalsContact CD-NH2 3.34Å; E35-R133 IonicContact OE1-CZ 3.35Å; E35-R133 IonicContact OE1-NH1 3.96Å; E35-R133 IonicContact OE1-NH2 3.23Å; E35-R133 PolarHBondContact OE1-NH2 3.46Å; E35-R133 IonicContact OE2-CZ 3.02Å; E35-R133 VanDerWaalsContact OE2-CZ 3.31Å; E35-R133 IonicContact OE2-NH1 2.75Å; E35-R133 PolarHBondContact OE2-NH1 2.89Å; E35-R133 IonicContact OE2-NH2 3.81Å; E35-R133 PolarHBondContact OE2-NH2 3.1Å
36	P	88.5	Confident	81.2	Confident	67 Å²	67	56.8 Å²	56.8	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-49.9	-36.4	177.1	-33.5	38.6	0	0	0	114.7	L38 S39 V40 P85 V186	P36-L38 VanDerWaalsContact C-N 3.32Å; P36-L38 PolarHBondContact O-N 3.04Å; P36-S39 PolarHBondContact O-N 3.14Å; P36-V40 WeakPolarHBondContact O-CG2 3.16Å; P36-V40 PolarHBondContact O-N 2.91Å; P36-V40 VanDerWaalsContact O-N 3.12Å; P36-P85 HydrophobicContact CB-CG 3.88Å; P36-V186 HydrophobicContact CB-CG1 4Å
37	I	90.3	Very high	83.9	Confident	24 Å²	24	51 Å²	51	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-35.5	-178.9	-165.7	66.1	0	0	0	112.3	E35 V40 L41 L184 V186 M193	E35-I37 HydrophobicContact CB-CG2 4.04Å; E35-I37 PolarHBondContact O-N 3.02Å; E35-I37 VanDerWaalsContact O-N 3.08Å; I37-V40 PolarHBondContact O-N 3.42Å; I37-L41 PolarHBondContact O-N 3.28Å; I37-L184 HydrophobicContact CD1-CB 3.52Å; I37-L184 HydrophobicContact CD1-CD2 3.62Å; I37-L184 HydrophobicContact CD1-CG 4.22Å; I37-L184 HydrophobicContact CG1-CD2 3.98Å; I37-L184 WeakPolarHBondContact O-CD2 3.34Å; I37-V186 HydrophobicContact CD1-CB 4.37Å; I37-V186 HydrophobicContact CD1-CG2 3.66Å; I37-M193 HydrophobicContact CG1-CE 3.84Å
38	L	91.9	Very high	86.4	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-73.3	-38.3	179.2	-61.9	-179.9	0	0	0	110.9	A33 E35 P36 V40 L41 M42 L135	A33-L38 HydrophobicContact CB-CB 3.6Å; A33-L38 HydrophobicContact CB-CD1 4.42Å; E35-L38 HydrophobicContact CB-CD1 4.2Å; E35-L38 HydrophobicContact CB-CG 4.13Å; E35-L38 PolarHBondContact O-N 3.37Å; P36-L38 VanDerWaalsContact C-N 3.32Å; P36-L38 PolarHBondContact O-N 3.04Å; L38-V40 VanDerWaalsContact C-N 3.3Å; L38-V40 PolarHBondContact O-N 3.05Å; L38-L41 WeakPolarHBondContact O-CB 3.04Å; L38-L41 PolarHBondContact O-N 3.36Å; L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 2.98Å; L38-L135 HydrophobicContact CD2-CD1 3.43Å; L38-L135 VanDerWaalsContact CD2-CD1 3.43Å; L38-L135 HydrophobicContact CD2-CD2 4.2Å; L38-L135 HydrophobicContact CD2-CG 4.44Å
39	S	92	Very high	88.2	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-41.6	172.1	-58.5	0	0	0	0	111.5	F31 A33 E35 P36 W43 N83	F31-S39 WeakPolarHBondContact O-CB 3.42Å; F31-S39 PolarHBondContact O-OG 3.24Å; A33-S39 PolarHBondContact N-OG 3.38Å; A33-S39 VanDerWaalsContact N-OG 3.1Å; E35-S39 PolarHBondContact O-N 3.24Å; P36-S39 PolarHBondContact O-N 3.14Å; S39-W43 VanDerWaalsContact O-CB 3.28Å; S39-W43 WeakPolarHBondContact O-CB 3.2Å; S39-W43 PolarHBondContact O-N 3.31Å; S39-N83 PolarHBondContact OG-O 3.06Å
40	V	94.1	Very high	89.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-37.6	176.6	173	0	0	0	0	111.8	P36 I37 L38 G44 P85 F88 F90 L184 V186	P36-V40 WeakPolarHBondContact O-CG2 3.16Å; P36-V40 PolarHBondContact O-N 2.91Å; P36-V40 VanDerWaalsContact O-N 3.12Å; I37-V40 PolarHBondContact O-N 3.42Å; L38-V40 VanDerWaalsContact C-N 3.3Å; L38-V40 PolarHBondContact O-N 3.05Å; V40-G44 PolarHBondContact O-N 3.43Å; V40-P85 HydrophobicContact CG2-CG 3.83Å; V40-F88 HydrophobicContact CB-CD2 4.27Å; V40-F88 HydrophobicContact CG1-CB 4.34Å; V40-F88 HydrophobicContact CG1-CD2 3.49Å; V40-F88 VanDerWaalsContact CG1-CD2 3.49Å; V40-F88 HydrophobicContact CG1-CE2 4Å; V40-F88 HydrophobicContact CG1-CG 4.09Å; V40-F88 HydrophobicContact CG2-CB 3.89Å; V40-F88 HydrophobicContact CG2-CD1 3.96Å; V40-F88 HydrophobicContact CG2-CD2 3.8Å; V40-F88 HydrophobicContact CG2-CE1 4.42Å; V40-F88 HydrophobicContact CG2-CE2 4.28Å; V40-F88 HydrophobicContact CG2-CG 3.61Å; V40-F90 HydrophobicContact CG1-CD2 4.45Å; V40-L184 HydrophobicContact CB-CD2 4.19Å; V40-L184 HydrophobicContact CG1-CB 4.46Å; V40-L184 HydrophobicContact CG1-CD2 3.9Å; V40-L184 HydrophobicContact CG1-CG 4.17Å; V40-V186 HydrophobicContact CB-CG2 4.12Å; V40-V186 HydrophobicContact CG1-CG2 4.29Å; V40-V186 HydrophobicContact CG2-CG2 3.8Å
41	L	95.3	Very high	90.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-53.4	173.7	179.4	64.2	0	0	0	111.1	I37 L38 W43 G44 V45 F90 P121 I144 Y182 L184 M193	I37-L41 PolarHBondContact O-N 3.28Å; L38-L41 WeakPolarHBondContact O-CB 3.04Å; L38-L41 PolarHBondContact O-N 3.36Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 3.14Å; L41-G44 PolarHBondContact O-N 3.26Å; L41-V45 HydrophobicContact CD1-CG2 4.03Å; L41-V45 HydrophobicContact CG-CG2 4.5Å; L41-V45 WeakPolarHBondContact O-CG2 3.27Å; L41-V45 PolarHBondContact O-N 3.26Å; L41-F90 HydrophobicContact CD1-CE2 4.47Å; L41-P121 HydrophobicContact CD2-CG 4.37Å; L41-I144 HydrophobicContact CD2-CD1 3.91Å; L41-I144 HydrophobicContact CD2-CG1 4.46Å; L41-I144 HydrophobicContact CD2-CG2 4.26Å; L41-Y182 HydrophobicContact CD1-CD2 4.25Å; L41-L184 HydrophobicContact CB-CD2 3.81Å; L41-L184 HydrophobicContact CD1-CD1 4.35Å; L41-L184 HydrophobicContact CD1-CD2 4.46Å; L41-M193 HydrophobicContact CD1-SD 4.04Å; L41-M193 HydrophobicContact CD2-SD 3.95Å; L41-M193 HydrophobicContact CG-SD 4.45Å
42	M	95.3	Very high	91.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-44.3	-179.4	-68.6	-171.7	-72.3	0	0	111.7	F31 A33 L38 N46 L116 T117 A120	F31-M42 HydrophobicContact CB-CB 4.09Å; F31-M42 HydrophobicContact CB-CE 4.24Å; F31-M42 HydrophobicContact CD1-CB 3.67Å; F31-M42 HydrophobicContact CE1-CB 4.46Å; F31-M42 HydrophobicContact CG-CB 4.05Å; A33-M42 HydrophobicContact CB-CE 3.92Å; L38-M42 WeakPolarHBondContact O-CG 3.35Å; L38-M42 PolarHBondContact O-N 2.98Å; M42-N46 VanDerWaalsContact O-CB 3.23Å; M42-N46 WeakPolarHBondContact O-CB 3.49Å; M42-N46 PolarHBondContact O-N 3.43Å; M42-L116 WeakPolarHBondContact CG-O 3.43Å; M42-T117 HydrophobicContact CB-CG2 4.38Å; M42-T117 VanDerWaalsContact O-CG2 3.27Å; M42-T117 WeakPolarHBondContact O-CG2 3.32Å; M42-A120 HydrophobicContact CE-CB 4.15Å; M42-A120 HydrophobicContact SD-CB 4.3Å
43	W	95.1	Very high	91.9	Very high	48 Å²	48	31.8 Å²	31.8	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-45.2	176.5	179.7	89.8	0	0	0	111.8	F31 S39 L41 N46 H47 I72 V74 L84 F88 F90	F31-W43 HydrophobicContact CD2-CB 3.85Å; F31-W43 AromaticContact CD2-CD1 3.87Å; F31-W43 HydrophobicContact CD2-CG 4.28Å; F31-W43 HydrophobicContact CE2-CB 4.46Å; F31-W43 HydrophobicContact CG-CB 4.35Å; S39-W43 VanDerWaalsContact O-CB 3.28Å; S39-W43 WeakPolarHBondContact O-CB 3.2Å; S39-W43 PolarHBondContact O-N 3.31Å; L41-W43 VanDerWaalsContact C-N 3.34Å; L41-W43 PolarHBondContact O-N 3.14Å; W43-N46 PolarHBondContact O-N 3.4Å; W43-H47 HydrophobicContact CH2-CB 4.41Å; W43-H47 HydrophobicContact CZ3-CB 4.38Å; W43-H47 WeakPolarHBondContact O-CB 3.1Å; W43-H47 PolarHBondContact O-N 2.94Å; W43-I72 HydrophobicContact CH2-CG2 3.78Å; W43-I72 HydrophobicContact CZ3-CG2 4.23Å; W43-V74 HydrophobicContact CH2-CG2 3.41Å; W43-V74 VanDerWaalsContact CH2-CG2 3.41Å; W43-V74 HydrophobicContact CZ2-CG2 3.81Å; W43-V74 HydrophobicContact CZ3-CG2 3.95Å; W43-L84 HydrophobicContact CB-CD1 4.37Å; W43-L84 HydrophobicContact CB-CD2 3.96Å; W43-L84 VanDerWaalsContact CD1-CD1 3.49Å; W43-L84 HydrophobicContact CG-CD1 3.93Å; W43-L84 HydrophobicContact CG-CD2 4.34Å; W43-F88 HydrophobicContact CD2-CE2 4.05Å; W43-F88 AromaticContact CD2-CZ 3.84Å; W43-F88 HydrophobicContact CD2-CZ 3.84Å; W43-F88 AromaticContact CE3-CE2 3.44Å; W43-F88 HydrophobicContact CE3-CE2 3.44Å; W43-F88 VanDerWaalsContact CE3-CE2 3.44Å; W43-F88 AromaticContact CE3-CZ 3.73Å; W43-F88 HydrophobicContact CE3-CZ 3.73Å; W43-F88 HydrophobicContact CG-CZ 4.4Å; W43-F88 HydrophobicContact CH2-CE2 4.31Å; W43-F88 HydrophobicContact CH2-CZ 4.41Å; W43-F88 HydrophobicContact CZ2-CZ 4.49Å; W43-F88 AromaticContact CZ3-CE2 3.61Å; W43-F88 HydrophobicContact CZ3-CE2 3.61Å; W43-F88 HydrophobicContact CZ3-CZ 4.05Å; W43-F90 HydrophobicContact CZ3-CB 4.48Å
44	G	95.9	Very high	92.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-48.7	-177.5	0	0	0	0	0	112.4	V40 L41 N46 H47 T48	V40-G44 PolarHBondContact O-N 3.43Å; L41-G44 PolarHBondContact O-N 3.26Å; G44-N46 VanDerWaalsContact C-N 3.35Å; G44-N46 PolarHBondContact O-N 3.36Å; G44-H47 PolarHBondContact O-N 3.29Å; G44-H47 VanDerWaalsContact O-N 3.15Å; G44-T48 PolarHBondContact O-N 3.41Å; G44-T48 PolarHBondContact O-OG1 3.47Å
45	V	96.8	Very high	93.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.5	172.4	0	0	0	0	110.5	L41 H47 T48 I49 F90 Y112 L116 T117 Y182	L41-V45 HydrophobicContact CD1-CG2 4.03Å; L41-V45 HydrophobicContact CG-CG2 4.5Å; L41-V45 WeakPolarHBondContact O-CG2 3.27Å; L41-V45 PolarHBondContact O-N 3.26Å; V45-H47 VanDerWaalsContact C-N 3.28Å; V45-H47 PolarHBondContact O-N 3.46Å; V45-T48 PolarHBondContact O-N 3.01Å; V45-T48 PolarHBondContact O-OG1 3.46Å; V45-I49 HydrophobicContact CG1-CG1 4.23Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.41Å; V45-I49 PolarHBondContact O-N 2.88Å; V45-F90 HydrophobicContact CG2-CZ 4.43Å; V45-Y112 HydrophobicContact CG1-CE1 4.14Å; V45-L116 HydrophobicContact CG1-CB 4.19Å; V45-L116 HydrophobicContact CG1-CD1 3.99Å; V45-L116 HydrophobicContact CG2-CD1 4.33Å; V45-T117 HydrophobicContact CB-CG2 4.16Å; V45-T117 HydrophobicContact CG1-CG2 4.06Å; V45-Y182 HydrophobicContact CG2-CE2 4.12Å
46	N	95.9	Very high	93.3	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-41.3	176.4	177.7	85.6	0	0	0	112	F31 M42 W43 G44 N50 Q113 T117	F31-N46 HydrophobicContact CE1-CB 4.15Å; F31-N46 HydrophobicContact CE2-CB 4.1Å; F31-N46 HydrophobicContact CZ-CB 3.52Å; F31-N46 VanDerWaalsContact CZ-CG 3.42Å; M42-N46 VanDerWaalsContact O-CB 3.23Å; M42-N46 WeakPolarHBondContact O-CB 3.49Å; M42-N46 PolarHBondContact O-N 3.43Å; W43-N46 PolarHBondContact O-N 3.4Å; G44-N46 VanDerWaalsContact C-N 3.35Å; G44-N46 PolarHBondContact O-N 3.36Å; N46-N50 PolarHBondContact ND2-ND2 3.11Å; N46-N50 WeakPolarHBondContact O-CB 3.44Å; N46-N50 PolarHBondContact O-N 2.81Å; N46-N50 PolarHBondContact O-ND2 2.88Å; N46-Q113 PolarHBondContact O-NE2 3.37Å; N46-Q113 PolarHBondContact OD1-NE2 3Å; N46-T117 HydrophobicContact CB-CG2 4.11Å
47	H	94.8	Very high	93.4	Very high	52 Å²	52	38.6 Å²	38.6	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-67.1	-52	179.6	-176.5	87.5	0	0	0	111.6	W43 G44 V45 I49 N50 E51 I72	W43-H47 HydrophobicContact CH2-CB 4.41Å; W43-H47 HydrophobicContact CZ3-CB 4.38Å; W43-H47 WeakPolarHBondContact O-CB 3.1Å; W43-H47 PolarHBondContact O-N 2.94Å; G44-H47 PolarHBondContact O-N 3.29Å; G44-H47 VanDerWaalsContact O-N 3.15Å; V45-H47 VanDerWaalsContact C-N 3.28Å; V45-H47 PolarHBondContact O-N 3.46Å; H47-I49 PolarHBondContact O-N 3.09Å; H47-N50 PolarHBondContact O-N 3.48Å; H47-E51 IonicContact CD2-OE2 2.66Å; H47-E51 PolarHBondContact CD2-OE2 2.86Å; H47-E51 IonicContact CE1-OE1 3.74Å; H47-E51 IonicContact NE2-OE1 3.36Å; H47-E51 PolarHBondContact NE2-OE1 3.04Å; H47-E51 IonicContact NE2-OE2 3.55Å; H47-E51 PolarHBondContact NE2-OE2 2.8Å; H47-E51 WeakPolarHBondContact O-CG 3.39Å; H47-E51 PolarHBondContact O-N 2.85Å; H47-I72 WeakPolarHBondContact CD2-CD1 3.15Å
48	T	95.5	Very high	93.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-37.2	-174.4	57.8	0	0	0	0	113.1	G44 V45 N50 E51 L52 I72 F90 E92	G44-T48 PolarHBondContact O-N 3.41Å; G44-T48 PolarHBondContact O-OG1 3.47Å; V45-T48 PolarHBondContact O-N 3.01Å; V45-T48 PolarHBondContact O-OG1 3.46Å; T48-N50 PolarHBondContact O-N 3.36Å; T48-E51 PolarHBondContact O-N 3.11Å; T48-L52 WeakPolarHBondContact O-CB 3.38Å; T48-L52 VanDerWaalsContact O-CG 3.26Å; T48-L52 WeakPolarHBondContact O-CG 3.39Å; T48-L52 PolarHBondContact O-N 3.08Å; T48-I72 HydrophobicContact CG2-CD1 4.16Å; T48-F90 HydrophobicContact CG2-CD1 4.04Å; T48-F90 HydrophobicContact CG2-CE1 3.66Å; T48-E92 WeakPolarHBondContact CB-OE2 3.35Å; T48-E92 HydrophobicContact CG2-CB 4.15Å; T48-E92 WeakPolarHBondContact CG2-OE2 3.36Å
49	I	95.1	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-41.1	174.6	-61.3	-45	0	0	0	111.5	V45 H47 E51 L52 S53 D109 Y112 Q113	V45-I49 HydrophobicContact CG1-CG1 4.23Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.41Å; V45-I49 PolarHBondContact O-N 2.88Å; H47-I49 PolarHBondContact O-N 3.09Å; I49-E51 VanDerWaalsContact C-N 3.35Å; I49-L52 HydrophobicContact CD1-CD1 4.36Å; I49-L52 PolarHBondContact O-N 2.87Å; I49-S53 PolarHBondContact O-N 3.18Å; I49-D109 HydrophobicContact CG2-CB 4.11Å; I49-Y112 HydrophobicContact CD1-CD1 4.2Å; I49-Y112 HydrophobicContact CD1-CE1 4.35Å; I49-Y112 HydrophobicContact CG1-CD1 4.3Å; I49-Q113 HydrophobicContact CB-CB 4.27Å; I49-Q113 HydrophobicContact CB-CG 4.37Å; I49-Q113 HydrophobicContact CG1-CB 4.25Å; I49-Q113 HydrophobicContact CG2-CB 4.07Å; I49-Q113 HydrophobicContact CG2-CG 4.47Å
50	N	94.7	Very high	93.1	Very high	62 Å²	62	53 Å²	53	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-32.8	176.1	-71	-31.1	0	0	0	112.6	N46 H47 T48 S53 N54 Q113	N46-N50 PolarHBondContact ND2-ND2 3.11Å; N46-N50 WeakPolarHBondContact O-CB 3.44Å; N46-N50 PolarHBondContact O-N 2.81Å; N46-N50 PolarHBondContact O-ND2 2.88Å; H47-N50 PolarHBondContact O-N 3.48Å; T48-N50 PolarHBondContact O-N 3.36Å; N50-S53 PolarHBondContact O-OG 2.59Å; N50-N54 PolarHBondContact O-ND2 2.64Å; N50-Q113 PolarHBondContact ND2-NE2 3.38Å; N50-Q113 PolarHBondContact OD1-NE2 2.66Å; N50-Q113 VanDerWaalsContact OD1-NE2 3.12Å
51	E	93.1	Very high	93.1	Very high	89 Å²	89	54.6 Å²	54.6	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-68.7	-45.8	172.3	-73	-164.7	127.8	0	0	110.9	H47 T48 I49 S53 N54	H47-E51 IonicContact CD2-OE2 2.66Å; H47-E51 PolarHBondContact CD2-OE2 2.86Å; H47-E51 IonicContact CE1-OE1 3.74Å; H47-E51 IonicContact NE2-OE1 3.36Å; H47-E51 PolarHBondContact NE2-OE1 3.04Å; H47-E51 IonicContact NE2-OE2 3.55Å; H47-E51 PolarHBondContact NE2-OE2 2.8Å; H47-E51 WeakPolarHBondContact O-CG 3.39Å; H47-E51 PolarHBondContact O-N 2.85Å; T48-E51 PolarHBondContact O-N 3.11Å; I49-E51 VanDerWaalsContact C-N 3.35Å; E51-S53 VanDerWaalsContact C-N 3.28Å; E51-S53 PolarHBondContact O-N 2.82Å; E51-N54 WeakPolarHBondContact O-CB 3.29Å; E51-N54 PolarHBondContact O-N 2.82Å; E51-N54 VanDerWaalsContact O-N 3.09Å
52	L	91.6	Very high	93.1	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-30.4	179.7	-76.5	172.2	0	0	0	113.2	T48 I49 N54 V55 P95 M96 R99	T48-L52 WeakPolarHBondContact O-CB 3.38Å; T48-L52 VanDerWaalsContact O-CG 3.26Å; T48-L52 WeakPolarHBondContact O-CG 3.39Å; T48-L52 PolarHBondContact O-N 3.08Å; I49-L52 HydrophobicContact CD1-CD1 4.36Å; I49-L52 PolarHBondContact O-N 2.87Å; L52-N54 PolarHBondContact O-N 3.33Å; L52-V55 PolarHBondContact O-N 3.3Å; L52-P95 HydrophobicContact CD1-CB 4.09Å; L52-P95 HydrophobicContact CD2-CB 3.82Å; L52-P95 HydrophobicContact CG-CB 4.42Å; L52-M96 HydrophobicContact CD2-SD 4.03Å; L52-R99 PolarHBondContact O-NH1 3.01Å
53	S	91.8	Very high	93.1	Very high	78 Å²	78	62.8 Å²	62.8	55%	0.545	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.8	176.2	69.3	0	0	0	0	113	I49 N50 E51	I49-S53 PolarHBondContact O-N 3.18Å; N50-S53 PolarHBondContact O-OG 2.59Å; E51-S53 VanDerWaalsContact C-N 3.28Å; E51-S53 PolarHBondContact O-N 2.82Å
54	N	91.5	Very high	93.1	Very high	134 Å²	134	66.2 Å²	66.2	72%	0.717	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.5	173.9	-61.7	-63.9	0	0	0	113	N50 E51 L52	N50-N54 PolarHBondContact O-ND2 2.64Å; E51-N54 WeakPolarHBondContact O-CB 3.29Å; E51-N54 PolarHBondContact O-N 2.82Å; E51-N54 VanDerWaalsContact O-N 3.09Å; L52-N54 PolarHBondContact O-N 3.33Å
55	V	91.8	Very high	93.2	Very high	64 Å²	64	67.7 Å²	67.7	39%	0.388	38%	0.382	S	S	.	.	S	Bend	trans	-94.6	125.1	178.9	-178.8	0	0	0	0	108.9	L52 M96 R99	L52-V55 PolarHBondContact O-N 3.3Å; V55-M96 HydrophobicContact CG1-CE 4.16Å; V55-M96 HydrophobicContact CG1-SD 4.11Å; V55-R99 PolarHBondContact O-NH1 3.02Å
56	P	89.1	Confident	93.2	Very high	109 Å²	109	68.9 Å²	68.9	71%	0.708	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.5	148.8	179.4	25	-33.8	0	0	0	111.8	P58 R99	P56-P58 WeakPolarHBondContact O-CD 3.17Å; P56-R99 PolarHBondContact O-NH2 3.18Å
57	V	89.1	Confident	93.2	Very high	98 Å²	98	75 Å²	75	59%	0.594	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-76.3	118.5	175.9	-175.3	0	0	0	0	109.1
58	P	88.3	Confident	93.3	Very high	54 Å²	54	74.2 Å²	74.2	35%	0.351	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-73.3	148.4	179.6	32.1	-35.5	0	0	0	109.9	P56 M60 L61 M96	P56-P58 WeakPolarHBondContact O-CD 3.17Å; P58-M60 VanDerWaalsContact C-N 3.27Å; P58-M60 PolarHBondContact O-N 2.9Å; P58-L61 HydrophobicContact CG-CD2 4.4Å; P58-M96 HydrophobicContact CG-CE 3.57Å
59	V	88.6	Confident	93.4	Very high	150 Å²	150	81 Å²	81	91%	0.909	44%	0.442	S	S	*	.	S	Bend	trans	-64.7	-34.5	177.4	179.1	0	0	0	0	111.6
60	M	91.3	Very high	93.4	Very high	129 Å²	129	82.5 Å²	82.5	64%	0.635	45%	0.452	S	S	*	.	S	Bend	trans	-143.6	149.7	177.9	64.2	-178.5	70.3	0	0	110.5	P58 M62	P58-M60 VanDerWaalsContact C-N 3.27Å; P58-M60 PolarHBondContact O-N 2.9Å; M60-M62 HydrophobicContact CG-SD 4.25Å; M60-M62 HydrophobicContact SD-SD 4.4Å
61	L	95.6	Very high	93.5	Very high	34 Å²	34	84.6 Å²	84.6	18%	0.178	46%	0.458	C	S	.	.			trans	-80.6	134.1	172.5	-63.2	176.5	0	0	0	110.2	P58 D65 F66 M96 V97 N100 H163	P58-L61 HydrophobicContact CG-CD2 4.4Å; L61-D65 WeakPolarHBondContact CA-OD2 3.5Å; L61-D65 HydrophobicContact CD2-CB 4.43Å; L61-F66 HydrophobicContact CB-CE2 4.04Å; L61-F66 HydrophobicContact CB-CZ 4.42Å; L61-F66 HydrophobicContact CD1-CZ 4.14Å; L61-M96 HydrophobicContact CD2-CB 4.08Å; L61-V97 HydrophobicContact CD1-CB 4.34Å; L61-V97 HydrophobicContact CD1-CG1 4.27Å; L61-V97 HydrophobicContact CD1-CG2 4.21Å; L61-N100 HydrophobicContact CD1-CB 4.15Å; L61-H163 WeakPolarHBondContact CD1-NE2 3.29Å
62	M	95.3	Very high	93.7	Very high	104 Å²	104	81.7 Å²	81.7	51%	0.512	45%	0.445	S	S	.	.			trans	-93.7	157.8	177.3	-62.3	-56.9	-69.2	0	0	110.8	M60 D64 D65 F66	M60-M62 HydrophobicContact CG-SD 4.25Å; M60-M62 HydrophobicContact SD-SD 4.4Å; M62-D64 PolarHBondContact O-N 2.88Å; M62-D65 PolarHBondContact N-OD2 2.74Å; M62-D65 WeakPolarHBondContact O-CB 3.34Å; M62-D65 PolarHBondContact O-N 3.43Å; M62-F66 WeakPolarHBondContact O-CD2 3.37Å
63	P	94.3	Very high	93.8	Very high	73 Å²	73	87 Å²	87	47%	0.474	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.1	177.8	-28.2	36.3	0	0	0	114.7	D65 F66	P63-D65 VanDerWaalsContact C-N 3.34Å; P63-F66 PolarHBondContact O-N 3.14Å
64	D	95.6	Very high	93.7	Very high	121 Å²	121	84.2 Å²	84.2	65%	0.647	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.5	178.7	-68.2	-22.8	0	0	0	112.7	M62 F66 K67 A68	M62-D64 PolarHBondContact O-N 2.88Å; D64-F66 PolarHBondContact O-N 3.01Å; D64-K67 CarbonylContact O-C 3.49Å; D64-K67 PolarHBondContact O-N 3.4Å; D64-A68 PolarHBondContact O-N 3.47Å
65	D	97.1	Very high	93.5	Very high	30 Å²	30	80.8 Å²	80.8	16%	0.16	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.4	176.7	-65.6	-44.9	0	0	0	111.8	L61 M62 P63 K67 A68 C94 M96 V97	L61-D65 WeakPolarHBondContact CA-OD2 3.5Å; L61-D65 HydrophobicContact CD2-CB 4.43Å; M62-D65 PolarHBondContact N-OD2 2.74Å; M62-D65 WeakPolarHBondContact O-CB 3.34Å; M62-D65 PolarHBondContact O-N 3.43Å; P63-D65 VanDerWaalsContact C-N 3.34Å; D65-K67 PolarHBondContact O-N 3.1Å; D65-A68 PolarHBondContact O-N 3.01Å; D65-C94 WeakPolarHBondContact O-CB 3.22Å; D65-M96 HydrophobicContact CB-CB 4.35Å; D65-V97 HydrophobicContact CB-CG2 4.01Å
66	F	97.3	Very high	93.1	Very high	25 Å²	25	79.3 Å²	79.3	11%	0.11	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.6	176.9	-65.5	-89.9	0	0	0	113.9	L61 M62 P63 D64 C94 V97 H156 L159 K160 H163	L61-F66 HydrophobicContact CB-CE2 4.04Å; L61-F66 HydrophobicContact CB-CZ 4.42Å; L61-F66 HydrophobicContact CD1-CZ 4.14Å; M62-F66 WeakPolarHBondContact O-CD2 3.37Å; P63-F66 PolarHBondContact O-N 3.14Å; D64-F66 PolarHBondContact O-N 3.01Å; F66-C94 VanDerWaalsContact C-SG 3.51Å; F66-C94 PolarHBondContact O-SG 2.75Å; F66-V97 HydrophobicContact CD1-CG1 4.14Å; F66-V97 HydrophobicContact CD1-CG2 3.89Å; F66-V97 HydrophobicContact CD2-CG2 4.35Å; F66-V97 HydrophobicContact CE1-CG1 3.68Å; F66-V97 HydrophobicContact CE1-CG2 3.96Å; F66-V97 HydrophobicContact CE2-CG2 4.43Å; F66-V97 HydrophobicContact CG-CG2 4.08Å; F66-V97 HydrophobicContact CZ-CG1 4.3Å; F66-V97 HydrophobicContact CZ-CG2 4.25Å; F66-H156 PolarHBondContact O-ND1 2.8Å; F66-L159 HydrophobicContact CD1-CB 4.33Å; F66-L159 HydrophobicContact CD1-CD2 4.06Å; F66-L159 HydrophobicContact CD1-CG 3.87Å; F66-L159 HydrophobicContact CE1-CG 4.23Å; F66-K160 HydrophobicContact CD1-CB 4Å; F66-K160 HydrophobicContact CE1-CB 4.12Å; F66-K160 HydrophobicContact CE1-CG 4.43Å; F66-K160 HydrophobicContact CG-CB 4.4Å; F66-K160 HydrophobicContact CZ-CG 4.42Å; F66-H163 HydrophobicContact CE1-CB 3.86Å; F66-H163 HydrophobicContact CZ-CB 4.09Å
67	K	95.9	Very high	92.5	Very high	155 Å²	155	80.9 Å²	80.9	67%	0.674	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-11.6	175.5	-60.9	177.7	-175.4	172.1	0	112.4	D64 D65	D64-K67 CarbonylContact O-C 3.49Å; D64-K67 PolarHBondContact O-N 3.4Å; D65-K67 PolarHBondContact O-N 3.1Å
68	A	96.9	Very high	91.6	Very high	36 Å²	36	83.7 Å²	83.7	30%	0.298	43%	0.428	S	S	.	.			trans	-62.9	154.7	-179.6	0	0	0	0	0	111.9	D64 D65 C94	D64-A68 PolarHBondContact O-N 3.47Å; D65-A68 PolarHBondContact O-N 3.01Å; A68-C94 WeakPolarHBondContact O-CA 3.39Å; A68-C94 PolarHBondContact O-N 3.15Å
69	Y	97.1	Very high	90.6	Very high	144 Å²	144	87.8 Å²	87.8	57%	0.565	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.8	150.1	172.3	61	-92.6	0	0	0	110.7	K71 K91 E92	Y69-K71 HydrophobicContact CD2-CB 4.21Å; Y69-K71 HydrophobicContact CE2-CB 4.37Å; Y69-K91 HydrophobicContact CD2-CD 4.36Å; Y69-K91 HydrophobicContact CD2-CG 4.48Å; Y69-E92 CarbonylContact C-O 3.5Å; Y69-E92 WeakPolarHBondContact CA-O 3.14Å; Y69-E92 VanDerWaalsContact CB-O 3.3Å; Y69-E92 WeakPolarHBondContact CB-O 3.29Å
70	S	96.6	Very high	89.8	Confident	31 Å²	31	83.2 Å²	83.2	22%	0.217	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	134.3	165.6	-179.2	0	0	0	0	108.7	K91 E92	S70-K91 CarbonylContact O-C 3.57Å; S70-K91 WeakPolarHBondContact O-CA 3.17Å; S70-K91 WeakPolarHBondContact O-CG 3.35Å; S70-E92 PolarHBondContact N-O 2.94Å; S70-E92 PolarHBondContact O-N 3.48Å
71	K	96.6	Very high	88.7	Confident	107 Å²	107	82.9 Å²	82.9	47%	0.465	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.8	179.4	-177.7	-175.7	177	-173.2	0	110.1	Y69 F90 K91	Y69-K71 HydrophobicContact CD2-CB 4.21Å; Y69-K71 HydrophobicContact CE2-CB 4.37Å; K71-F90 CarbonylContact C-O 3.39Å; K71-F90 WeakPolarHBondContact CA-O 3.32Å; K71-K91 HydrophobicContact CB-CB 4.42Å; K71-K91 HydrophobicContact CB-CG 4.35Å; K71-K91 HydrophobicContact CG-CB 4.36Å
72	I	95.6	Very high	87.6	Confident	28 Å²	28	89.3 Å²	89.3	14%	0.144	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.4	177.6	-53	123.1	0	0	0	109	W43 H47 T48 V74 K89 F90	W43-I72 HydrophobicContact CH2-CG2 3.78Å; W43-I72 HydrophobicContact CZ3-CG2 4.23Å; H47-I72 WeakPolarHBondContact CD2-CD1 3.15Å; T48-I72 HydrophobicContact CG2-CD1 4.16Å; I72-V74 HydrophobicContact CG2-CG2 4.12Å; I72-K89 CarbonylContact O-C 3.57Å; I72-K89 VanDerWaalsContact O-CA 3.29Å; I72-K89 WeakPolarHBondContact O-CA 3.46Å; I72-F90 HydrophobicContact CD1-CD1 4.42Å; I72-F90 PolarHBondContact N-O 3.49Å; I72-F90 PolarHBondContact O-N 2.99Å
73	K	94.4	Very high	86.8	Confident	123 Å²	123	85.1 Å²	85.1	54%	0.535	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.5	172.2	-179.2	177.5	-176.2	-111.2	0	107.6	D75 K89	K73-D75 WeakPolarHBondContact CE-OD2 3.23Å; K73-D75 IonicContact NZ-OD1 3.34Å; K73-D75 PolarHBondContact NZ-OD1 3.19Å; K73-D75 IonicContact NZ-OD2 2.81Å; K73-D75 PolarHBondContact NZ-OD2 3.3Å; K73-K89 HydrophobicContact CB-CG 4.23Å; K73-K89 HydrophobicContact CG-CG 4.01Å
74	V	90.9	Very high	86.3	Confident	19 Å²	19	82.1 Å²	82.1	12%	0.115	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	179.6	-179.8	0	0	0	0	108.3	W43 I72 N76 R87 F88	W43-V74 HydrophobicContact CH2-CG2 3.41Å; W43-V74 VanDerWaalsContact CH2-CG2 3.41Å; W43-V74 HydrophobicContact CZ2-CG2 3.81Å; W43-V74 HydrophobicContact CZ3-CG2 3.95Å; I72-V74 HydrophobicContact CG2-CG2 4.12Å; V74-N76 WeakPolarHBondContact CG1-OD1 3.34Å; V74-R87 WeakPolarHBondContact O-CA 3.13Å; V74-F88 HydrophobicContact CB-CD1 4.09Å; V74-F88 HydrophobicContact CB-CD2 4.34Å; V74-F88 HydrophobicContact CB-CE1 3.65Å; V74-F88 HydrophobicContact CB-CE2 3.93Å; V74-F88 HydrophobicContact CB-CG 4.42Å; V74-F88 HydrophobicContact CB-CZ 3.57Å; V74-F88 HydrophobicContact CG1-CD1 4.4Å; V74-F88 HydrophobicContact CG1-CE1 3.69Å; V74-F88 HydrophobicContact CG1-CZ 3.87Å; V74-F88 HydrophobicContact CG2-CD2 4.41Å; V74-F88 HydrophobicContact CG2-CE1 4.14Å; V74-F88 HydrophobicContact CG2-CE2 3.66Å; V74-F88 HydrophobicContact CG2-CZ 3.51Å; V74-F88 PolarHBondContact N-O 3.44Å; V74-F88 PolarHBondContact O-N 2.89Å; V74-F88 VanDerWaalsContact O-N 3.09Å
75	D	87.3	Confident	85.8	Confident	62 Å²	62	77.1 Å²	77.1	33%	0.332	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	90.7	174.7	-66.7	-69.6	0	0	0	108.4	K73 S86 R87	K73-D75 WeakPolarHBondContact CE-OD2 3.23Å; K73-D75 IonicContact NZ-OD1 3.34Å; K73-D75 PolarHBondContact NZ-OD1 3.19Å; K73-D75 IonicContact NZ-OD2 2.81Å; K73-D75 PolarHBondContact NZ-OD2 3.3Å; D75-S86 CarbonylContact C-O 3.58Å; D75-R87 WeakPolarHBondContact OD1-CD 3.41Å; D75-R87 WeakPolarHBondContact OD1-CG 3.19Å; D75-R87 IonicContact OD1-NE 3.71Å
76	N	83.1	Confident	85.3	Confident	34 Å²	34	77.9 Å²	77.9	18%	0.182	38%	0.376	C	S	.	.			trans	-86	115.4	-180	-70.3	-26	0	0	0	110.8	V74 S86	V74-N76 WeakPolarHBondContact CG1-OD1 3.34Å; N76-S86 PolarHBondContact N-O 3.38Å
77	H	76.8	Confident	84.9	Confident	141 Å²	141	83.9 Å²	83.9	65%	0.653	40%	0.398	S	S	*	.	S	Bend	trans	-99.7	107.5	173.7	-72.5	-89.4	0	0	0	110	F79	H77-F79 PolarHBondContact O-N 3.38Å; H77-F79 VanDerWaalsContact O-N 3.13Å
78	L	68.6	Low	84.9	Confident	158 Å²	158	76.8 Å²	76.8	83%	0.827	37%	0.367	S	S	*	.	S	Bend	trans	57.9	21.2	179.5	-58.7	173.1	0	0	0	115.2
79	F	68.8	Low	84.9	Confident	140 Å²	140	78.3 Å²	78.3	61%	0.614	37%	0.367	S	S	*	.	S	Bend	trans	-122.2	135.4	-179.8	-178	-104.3	0	0	0	110.5	H77 K81	H77-F79 PolarHBondContact O-N 3.38Å; H77-F79 VanDerWaalsContact O-N 3.13Å; F79-K81 PolarHBondContact O-N 2.76Å; F79-K81 VanDerWaalsContact O-N 3.09Å
80	N	71.9	Confident	84.9	Confident	53 Å²	53	71.5 Å²	71.5	28%	0.283	34%	0.34	S	S	.	.	S	Bend	trans	54.2	29.2	171.4	-159	27.5	0	0	0	116.3	E82 N83 L84	N80-E82 PolarHBondContact O-N 3.16Å; N80-N83 PolarHBondContact O-N 3.01Å; N80-N83 WeakPolarHBondContact OD1-CB 3.44Å; N80-N83 VanDerWaalsContact OD1-CG 3.31Å; N80-N83 PolarHBondContact OD1-ND2 2.85Å; N80-L84 PolarHBondContact O-N 3.39Å
81	K	68.3	Low	85	Confident	122 Å²	122	71.3 Å²	71.3	53%	0.53	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25	-176.2	-74.6	-170.5	171.3	-174.6	0	114.5	F79 N83	F79-K81 PolarHBondContact O-N 2.76Å; F79-K81 VanDerWaalsContact O-N 3.09Å; K81-N83 VanDerWaalsContact C-N 3.28Å; K81-N83 PolarHBondContact O-N 2.97Å
82	E	70.6	Confident	85	Confident	169 Å²	169	66.4 Å²	66.4	79%	0.79	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.2	-178.6	-63.7	179.3	-179.2	0	0	112.9	R32 N80	R32-E82 IonicContact NH2-OE2 3.01Å; N80-E82 PolarHBondContact O-N 3.16Å
83	N	78.4	Confident	85.2	Confident	16 Å²	16	65.9 Å²	65.9	9%	0.086	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-39.7	-168.5	-52.2	-23.7	0	0	0	111.8	F31 R32 S39 N80 K81	F31-N83 VanDerWaalsContact O-O 3.04Å; R32-N83 HydrophobicContact CG-CB 4.08Å; R32-N83 PolarHBondContact NE-OD1 2.97Å; R32-N83 PolarHBondContact NH2-OD1 3.35Å; S39-N83 PolarHBondContact OG-O 3.06Å; N80-N83 PolarHBondContact O-N 3.01Å; N80-N83 WeakPolarHBondContact OD1-CB 3.44Å; N80-N83 VanDerWaalsContact OD1-CG 3.31Å; N80-N83 PolarHBondContact OD1-ND2 2.85Å; K81-N83 VanDerWaalsContact C-N 3.28Å; K81-N83 PolarHBondContact O-N 2.97Å
84	L	84.4	Confident	85.4	Confident	10 Å²	10	60 Å²	60	5%	0.052	29%	0.285	C	S	.	.	S	Bend	trans	-126.8	150.3	-177.3	-72	169.5	0	0	0	111.3	W43 N80 F88	W43-L84 HydrophobicContact CB-CD1 4.37Å; W43-L84 HydrophobicContact CB-CD2 3.96Å; W43-L84 VanDerWaalsContact CD1-CD1 3.49Å; W43-L84 HydrophobicContact CG-CD1 3.93Å; W43-L84 HydrophobicContact CG-CD2 4.34Å; N80-L84 PolarHBondContact O-N 3.39Å; L84-F88 HydrophobicContact CB-CE1 4.23Å; L84-F88 HydrophobicContact CD1-CE1 4.47Å; L84-F88 HydrophobicContact CD1-CZ 4.48Å
85	P	84.8	Confident	85.7	Confident	17 Å²	17	59.7 Å²	59.7	11%	0.11	28%	0.283	C	S	.	.			trans	-55	146.8	170.3	-25.5	36.8	0	0	0	111.4	P36 V40 R87 F88 V186	P36-P85 HydrophobicContact CB-CG 3.88Å; V40-P85 HydrophobicContact CG2-CG 3.83Å; P85-R87 PolarHBondContact O-N 3.28Å; P85-F88 HydrophobicContact CB-CD1 4.21Å; P85-F88 WeakPolarHBondContact O-CD1 3.47Å; P85-V186 HydrophobicContact CB-CG1 4.23Å; P85-V186 HydrophobicContact CG-CG1 3.92Å
86	S	86.1	Confident	86.2	Confident	45 Å²	45	58.1 Å²	58.1	32%	0.315	28%	0.275	S	S	.	.	S	Bend	trans	-65.3	-29.8	178.7	-64.3	0	0	0	0	112	D75 N76	D75-S86 CarbonylContact C-O 3.58Å; N76-S86 PolarHBondContact N-O 3.38Å
87	R	90.4	Very high	86.9	Confident	151 Å²	151	56.5 Å²	56.5	57%	0.57	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.5	177.8	-63	-174.9	177.6	165.5	-1.8	110.4	V74 D75 P85	V74-R87 WeakPolarHBondContact O-CA 3.13Å; D75-R87 WeakPolarHBondContact OD1-CD 3.41Å; D75-R87 WeakPolarHBondContact OD1-CG 3.19Å; D75-R87 IonicContact OD1-NE 3.71Å; P85-R87 PolarHBondContact O-N 3.28Å
88	F	94.7	Very high	87.9	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.3	173.6	64.5	-91.1	0	0	0	111.5	V40 W43 V74 L84 P85 T185 V186	V40-F88 HydrophobicContact CB-CD2 4.27Å; V40-F88 HydrophobicContact CG1-CB 4.34Å; V40-F88 HydrophobicContact CG1-CD2 3.49Å; V40-F88 VanDerWaalsContact CG1-CD2 3.49Å; V40-F88 HydrophobicContact CG1-CE2 4Å; V40-F88 HydrophobicContact CG1-CG 4.09Å; V40-F88 HydrophobicContact CG2-CB 3.89Å; V40-F88 HydrophobicContact CG2-CD1 3.96Å; V40-F88 HydrophobicContact CG2-CD2 3.8Å; V40-F88 HydrophobicContact CG2-CE1 4.42Å; V40-F88 HydrophobicContact CG2-CE2 4.28Å; V40-F88 HydrophobicContact CG2-CG 3.61Å; W43-F88 HydrophobicContact CD2-CE2 4.05Å; W43-F88 AromaticContact CD2-CZ 3.84Å; W43-F88 HydrophobicContact CD2-CZ 3.84Å; W43-F88 AromaticContact CE3-CE2 3.44Å; W43-F88 HydrophobicContact CE3-CE2 3.44Å; W43-F88 VanDerWaalsContact CE3-CE2 3.44Å; W43-F88 AromaticContact CE3-CZ 3.73Å; W43-F88 HydrophobicContact CE3-CZ 3.73Å; W43-F88 HydrophobicContact CG-CZ 4.4Å; W43-F88 HydrophobicContact CH2-CE2 4.31Å; W43-F88 HydrophobicContact CH2-CZ 4.41Å; W43-F88 HydrophobicContact CZ2-CZ 4.49Å; W43-F88 AromaticContact CZ3-CE2 3.61Å; W43-F88 HydrophobicContact CZ3-CE2 3.61Å; W43-F88 HydrophobicContact CZ3-CZ 4.05Å; V74-F88 HydrophobicContact CB-CD1 4.09Å; V74-F88 HydrophobicContact CB-CD2 4.34Å; V74-F88 HydrophobicContact CB-CE1 3.65Å; V74-F88 HydrophobicContact CB-CE2 3.93Å; V74-F88 HydrophobicContact CB-CG 4.42Å; V74-F88 HydrophobicContact CB-CZ 3.57Å; V74-F88 HydrophobicContact CG1-CD1 4.4Å; V74-F88 HydrophobicContact CG1-CE1 3.69Å; V74-F88 HydrophobicContact CG1-CZ 3.87Å; V74-F88 HydrophobicContact CG2-CD2 4.41Å; V74-F88 HydrophobicContact CG2-CE1 4.14Å; V74-F88 HydrophobicContact CG2-CE2 3.66Å; V74-F88 HydrophobicContact CG2-CZ 3.51Å; V74-F88 PolarHBondContact N-O 3.44Å; V74-F88 PolarHBondContact O-N 2.89Å; V74-F88 VanDerWaalsContact O-N 3.09Å; L84-F88 HydrophobicContact CB-CE1 4.23Å; L84-F88 HydrophobicContact CD1-CE1 4.47Å; L84-F88 HydrophobicContact CD1-CZ 4.48Å; P85-F88 HydrophobicContact CB-CD1 4.21Å; P85-F88 WeakPolarHBondContact O-CD1 3.47Å; F88-T185 CarbonylContact C-O 3.5Å; F88-T185 WeakPolarHBondContact CA-O 3.28Å; F88-T185 WeakPolarHBondContact CB-O 3.35Å; F88-V186 HydrophobicContact CB-CG2 4.28Å
89	K	96.6	Very high	89.3	Confident	69 Å²	69	43.2 Å²	43.2	30%	0.3	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.2	171.3	-55.1	168.3	-173.8	163.6	0	109.1	I72 K73 L184 T185	I72-K89 CarbonylContact O-C 3.57Å; I72-K89 VanDerWaalsContact O-CA 3.29Å; I72-K89 WeakPolarHBondContact O-CA 3.46Å; K73-K89 HydrophobicContact CB-CG 4.23Å; K73-K89 HydrophobicContact CG-CG 4.01Å; K89-L184 CarbonylContact O-C 3.54Å; K89-L184 WeakPolarHBondContact O-CA 3.37Å; K89-T185 HydrophobicContact CD-CG2 4.5Å; K89-T185 PolarHBondContact N-O 3.47Å; K89-T185 PolarHBondContact O-N 2.83Å
90	F	97.9	Very high	90.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.8	171.1	-172.2	-94.2	0	0	0	108.2	V40 L41 W43 V45 T48 K71 I72 E92 Y182 L184	V40-F90 HydrophobicContact CG1-CD2 4.45Å; L41-F90 HydrophobicContact CD1-CE2 4.47Å; W43-F90 HydrophobicContact CZ3-CB 4.48Å; V45-F90 HydrophobicContact CG2-CZ 4.43Å; T48-F90 HydrophobicContact CG2-CD1 4.04Å; T48-F90 HydrophobicContact CG2-CE1 3.66Å; K71-F90 CarbonylContact C-O 3.39Å; K71-F90 WeakPolarHBondContact CA-O 3.32Å; I72-F90 HydrophobicContact CD1-CD1 4.42Å; I72-F90 PolarHBondContact N-O 3.49Å; I72-F90 PolarHBondContact O-N 2.99Å; F90-E92 HydrophobicContact CE1-CB 4.28Å; F90-Y182 AromaticContact CE1-CD1 3.87Å; F90-Y182 HydrophobicContact CE1-CD1 3.87Å; F90-Y182 HydrophobicContact CE1-CE1 4.34Å; F90-Y182 HydrophobicContact CE2-CD1 4.27Å; F90-Y182 HydrophobicContact CE2-CG 4.32Å; F90-Y182 AromaticContact CZ-CD1 3.36Å; F90-Y182 HydrophobicContact CZ-CD1 3.36Å; F90-Y182 AromaticContact CZ-CE1 3.91Å; F90-Y182 HydrophobicContact CZ-CE1 3.91Å; F90-Y182 AromaticContact CZ-CG 3.82Å; F90-Y182 HydrophobicContact CZ-CG 3.82Å; F90-L184 HydrophobicContact CD2-CD1 4.27Å; F90-L184 HydrophobicContact CD2-CG 3.96Å; F90-L184 HydrophobicContact CE2-CD1 4.05Å; F90-L184 HydrophobicContact CE2-CG 4.19Å
91	K	98.3	Very high	92	Very high	28 Å²	28	35.4 Å²	35.4	12%	0.122	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.1	175.2	179	-178.2	177.3	-177.8	0	108.9	Y69 S70 K71 Y93 Y182 R183	Y69-K91 HydrophobicContact CD2-CD 4.36Å; Y69-K91 HydrophobicContact CD2-CG 4.48Å; S70-K91 CarbonylContact O-C 3.57Å; S70-K91 WeakPolarHBondContact O-CA 3.17Å; S70-K91 WeakPolarHBondContact O-CG 3.35Å; K71-K91 HydrophobicContact CB-CB 4.42Å; K71-K91 HydrophobicContact CB-CG 4.35Å; K71-K91 HydrophobicContact CG-CB 4.36Å; K91-Y93 HydrophobicContact CD-CE1 4.01Å; K91-Y93 HydrophobicContact CD-CE2 4.1Å; K91-Y93 HydrophobicContact CG-CE2 4.26Å; K91-Y182 CarbonylContact O-C 3.55Å; K91-Y182 VanDerWaalsContact O-CA 3.26Å; K91-Y182 WeakPolarHBondContact O-CA 3.25Å; K91-R183 HydrophobicContact CB-CB 4.26Å; K91-R183 PolarHBondContact N-O 3.41Å; K91-R183 PolarHBondContact O-N 2.98Å
92	E	98.3	Very high	93.4	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135	167.8	-178.5	178.9	-146.6	0	0	109.2	T48 Y69 S70 F90 P95 Y182	T48-E92 WeakPolarHBondContact CB-OE2 3.35Å; T48-E92 HydrophobicContact CG2-CB 4.15Å; T48-E92 WeakPolarHBondContact CG2-OE2 3.36Å; Y69-E92 CarbonylContact C-O 3.5Å; Y69-E92 WeakPolarHBondContact CA-O 3.14Å; Y69-E92 VanDerWaalsContact CB-O 3.3Å; Y69-E92 WeakPolarHBondContact CB-O 3.29Å; S70-E92 PolarHBondContact N-O 2.94Å; S70-E92 PolarHBondContact O-N 3.48Å; F90-E92 HydrophobicContact CE1-CB 4.28Å; E92-P95 HydrophobicContact CB-CG 4.43Å; E92-P95 HydrophobicContact CG-CB 4.31Å; E92-P95 HydrophobicContact CG-CG 3.99Å; E92-Y182 HydrophobicContact CB-CD1 4.05Å; E92-Y182 HydrophobicContact CB-CE1 4.22Å; E92-Y182 HydrophobicContact CG-CD1 4.01Å; E92-Y182 HydrophobicContact CG-CE1 3.79Å
93	Y	98.5	Very high	94.6	Very high	17 Å²	17	27.2 Å²	27.2	7%	0.067	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.4	177	-65.1	-95.8	0	0	0	110.4	K91 F98 I152 H156 M181 R183	K91-Y93 HydrophobicContact CD-CE1 4.01Å; K91-Y93 HydrophobicContact CD-CE2 4.1Å; K91-Y93 HydrophobicContact CG-CE2 4.26Å; Y93-F98 WeakPolarHBondContact O-CD2 3.32Å; Y93-F98 WeakPolarHBondContact O-CE2 3.33Å; Y93-I152 HydrophobicContact CE1-CG2 4.35Å; Y93-H156 AromaticContact CD1-NE2 3.24Å; Y93-H156 WeakPolarHBondContact CD1-NE2 3.3Å; Y93-H156 AromaticContact CE1-NE2 3.87Å; Y93-H156 AromaticContact CG-NE2 3.97Å; Y93-M181 HydrophobicContact CD1-CE 4.22Å; Y93-M181 HydrophobicContact CD2-CE 4.29Å; Y93-M181 HydrophobicContact CD2-CG 4Å; Y93-M181 WeakPolarHBondContact CD2-O 3.46Å; Y93-M181 HydrophobicContact CG-CE 3.73Å; Y93-M181 HydrophobicContact CG-CG 4.35Å; Y93-M181 PolarHBondContact N-O 2.85Å; Y93-R183 HydrophobicContact CE2-CB 3.66Å
94	C	98.1	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	44.1	53.2	177.9	-46.3	0	0	0	0	114.7	D65 F66 A68 M96 V97 F98 H156 L159	D65-C94 WeakPolarHBondContact O-CB 3.22Å; F66-C94 VanDerWaalsContact C-SG 3.51Å; F66-C94 PolarHBondContact O-SG 2.75Å; A68-C94 WeakPolarHBondContact O-CA 3.39Å; A68-C94 PolarHBondContact O-N 3.15Å; C94-M96 VanDerWaalsContact C-N 3.27Å; C94-M96 PolarHBondContact O-N 2.86Å; C94-M96 VanDerWaalsContact O-N 3.14Å; C94-V97 HydrophobicContact CB-CB 3.89Å; C94-V97 HydrophobicContact CB-CG2 3.82Å; C94-V97 WeakPolarHBondContact O-CB 3.17Å; C94-V97 PolarHBondContact O-N 3.21Å; C94-F98 HydrophobicContact CB-CD2 4.17Å; C94-F98 HydrophobicContact CB-CE2 4.11Å; C94-F98 WeakPolarHBondContact O-CD2 3.45Å; C94-F98 PolarHBondContact O-N 3.31Å; C94-F98 VanDerWaalsContact O-N 3.12Å; C94-H156 PolarHBondContact SG-CE1 3.15Å; C94-L159 HydrophobicContact CB-CD2 3.8Å; C94-L159 VanDerWaalsContact SG-CD2 3.52Å
95	P	97.7	Very high	96.1	Very high	12 Å²	12	30.5 Å²	30.5	8%	0.078	14%	0.138	C	C	.	.	H	α-helix	trans	-54	-42.1	-170	-25.3	34.2	0	0	0	113.6	L52 E92 V97 F98 R99	L52-P95 HydrophobicContact CD1-CB 4.09Å; L52-P95 HydrophobicContact CD2-CB 3.82Å; L52-P95 HydrophobicContact CG-CB 4.42Å; E92-P95 HydrophobicContact CB-CG 4.43Å; E92-P95 HydrophobicContact CG-CB 4.31Å; E92-P95 HydrophobicContact CG-CG 3.99Å; P95-V97 PolarHBondContact O-N 2.59Å; P95-F98 PolarHBondContact O-N 3.4Å; P95-R99 WeakPolarHBondContact O-CB 3.45Å; P95-R99 PolarHBondContact O-N 3.15Å
96	M	97.6	Very high	96.7	Very high	30 Å²	30	33.8 Å²	33.8	15%	0.148	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-36	-179.2	-58.3	-60.5	-75.1	0	0	112.7	L52 V55 P58 L61 D65 C94 N100	L52-M96 HydrophobicContact CD2-SD 4.03Å; V55-M96 HydrophobicContact CG1-CE 4.16Å; V55-M96 HydrophobicContact CG1-SD 4.11Å; P58-M96 HydrophobicContact CG-CE 3.57Å; L61-M96 HydrophobicContact CD2-CB 4.08Å; D65-M96 HydrophobicContact CB-CB 4.35Å; C94-M96 VanDerWaalsContact C-N 3.27Å; C94-M96 PolarHBondContact O-N 2.86Å; C94-M96 VanDerWaalsContact O-N 3.14Å; M96-N100 PolarHBondContact O-N 3.45Å; M96-N100 VanDerWaalsContact O-N 3.09Å
97	V	98.3	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-47.8	177.9	-175.4	0	0	0	0	109.8	L61 D65 F66 C94 P95 R99 N100 L101 L159	L61-V97 HydrophobicContact CD1-CB 4.34Å; L61-V97 HydrophobicContact CD1-CG1 4.27Å; L61-V97 HydrophobicContact CD1-CG2 4.21Å; D65-V97 HydrophobicContact CB-CG2 4.01Å; F66-V97 HydrophobicContact CD1-CG1 4.14Å; F66-V97 HydrophobicContact CD1-CG2 3.89Å; F66-V97 HydrophobicContact CD2-CG2 4.35Å; F66-V97 HydrophobicContact CE1-CG1 3.68Å; F66-V97 HydrophobicContact CE1-CG2 3.96Å; F66-V97 HydrophobicContact CE2-CG2 4.43Å; F66-V97 HydrophobicContact CG-CG2 4.08Å; F66-V97 HydrophobicContact CZ-CG1 4.3Å; F66-V97 HydrophobicContact CZ-CG2 4.25Å; C94-V97 HydrophobicContact CB-CB 3.89Å; C94-V97 HydrophobicContact CB-CG2 3.82Å; C94-V97 WeakPolarHBondContact O-CB 3.17Å; C94-V97 PolarHBondContact O-N 3.21Å; P95-V97 PolarHBondContact O-N 2.59Å; V97-R99 PolarHBondContact O-N 3.1Å; V97-N100 PolarHBondContact O-N 2.95Å; V97-L101 HydrophobicContact CG1-CD1 4.23Å; V97-L101 WeakPolarHBondContact O-CG 3.47Å; V97-L101 PolarHBondContact O-N 2.99Å; V97-L159 HydrophobicContact CB-CD2 4.47Å; V97-L159 HydrophobicContact CG1-CD1 4.12Å; V97-L159 HydrophobicContact CG1-CD2 4.09Å; V97-L159 HydrophobicContact CG1-CG 4.04Å
98	F	98.4	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-30.4	179.1	-73.5	-69.7	0	0	0	113.3	Y93 C94 P95 L101 R102 M155 L159 F178 M181	Y93-F98 WeakPolarHBondContact O-CD2 3.32Å; Y93-F98 WeakPolarHBondContact O-CE2 3.33Å; C94-F98 HydrophobicContact CB-CD2 4.17Å; C94-F98 HydrophobicContact CB-CE2 4.11Å; C94-F98 WeakPolarHBondContact O-CD2 3.45Å; C94-F98 PolarHBondContact O-N 3.31Å; C94-F98 VanDerWaalsContact O-N 3.12Å; P95-F98 PolarHBondContact O-N 3.4Å; F98-L101 HydrophobicContact CD1-CD1 3.9Å; F98-L101 HydrophobicContact CE1-CD1 4.15Å; F98-L101 PolarHBondContact O-N 3.26Å; F98-R102 WeakPolarHBondContact O-CB 3.44Å; F98-R102 WeakPolarHBondContact O-CG 3.21Å; F98-R102 PolarHBondContact O-N 2.78Å; F98-R102 PolarHBondContact O-NE 3.45Å; F98-M155 HydrophobicContact CZ-SD 4.32Å; F98-L159 HydrophobicContact CE1-CD1 4.43Å; F98-L159 HydrophobicContact CZ-CD1 4.16Å; F98-F178 HydrophobicContact CE1-CB 3.89Å; F98-M181 HydrophobicContact CD2-CB 4.46Å; F98-M181 HydrophobicContact CE1-CB 4.5Å; F98-M181 HydrophobicContact CE2-CB 3.55Å; F98-M181 HydrophobicContact CE2-CE 4.38Å; F98-M181 HydrophobicContact CZ-CB 3.57Å
99	R	97.8	Very high	97.5	Very high	20 Å²	20	30 Å²	30	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-47.2	168.3	-172.6	171.9	67.1	169.8	6.8	111.7	L52 V55 P56 P95 V97 L101 R102 E103	L52-R99 PolarHBondContact O-NH1 3.01Å; V55-R99 PolarHBondContact O-NH1 3.02Å; P56-R99 PolarHBondContact O-NH2 3.18Å; P95-R99 WeakPolarHBondContact O-CB 3.45Å; P95-R99 PolarHBondContact O-N 3.15Å; V97-R99 PolarHBondContact O-N 3.1Å; R99-L101 PolarHBondContact O-N 3.19Å; R99-R102 PolarHBondContact O-N 3.09Å; R99-E103 PolarHBondContact O-N 2.95Å; R99-E103 VanDerWaalsContact O-N 3.13Å
100	N	97.8	Very high	97.5	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.15	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-32.6	177.1	-173	-115	0	0	0	112.9	L61 M96 V97 E103 R104 H163	L61-N100 HydrophobicContact CD1-CB 4.15Å; M96-N100 PolarHBondContact O-N 3.45Å; M96-N100 VanDerWaalsContact O-N 3.09Å; V97-N100 PolarHBondContact O-N 2.95Å; N100-E103 PolarHBondContact ND2-OE2 2.88Å; N100-E103 VanDerWaalsContact ND2-OE2 3.13Å; N100-R104 VanDerWaalsContact O-CG 3.29Å; N100-R104 WeakPolarHBondContact O-CG 3.43Å; N100-R104 PolarHBondContact O-N 2.95Å; N100-R104 PolarHBondContact OD1-NE 3.17Å; N100-H163 PolarHBondContact OD1-NE2 3.28Å
101	L	98.3	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-44	172.7	-74.6	170.9	0	0	0	111.6	V97 F98 R99 E103 R104 F105 L159 Y162 I166	V97-L101 HydrophobicContact CG1-CD1 4.23Å; V97-L101 WeakPolarHBondContact O-CG 3.47Å; V97-L101 PolarHBondContact O-N 2.99Å; F98-L101 HydrophobicContact CD1-CD1 3.9Å; F98-L101 HydrophobicContact CE1-CD1 4.15Å; F98-L101 PolarHBondContact O-N 3.26Å; R99-L101 PolarHBondContact O-N 3.19Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.04Å; L101-R104 PolarHBondContact O-N 3.3Å; L101-F105 HydrophobicContact CB-CD2 4.39Å; L101-F105 HydrophobicContact CB-CE2 4.14Å; L101-F105 HydrophobicContact CD2-CE2 4.2Å; L101-F105 HydrophobicContact CD2-CZ 4.46Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 WeakPolarHBondContact O-CG 3.27Å; L101-F105 PolarHBondContact O-N 3.49Å; L101-L159 HydrophobicContact CD1-CD1 4.3Å; L101-Y162 HydrophobicContact CD1-CD1 4.3Å; L101-Y162 HydrophobicContact CD1-CE1 3.95Å; L101-Y162 HydrophobicContact CD2-CD1 4.25Å; L101-Y162 HydrophobicContact CD2-CE1 3.8Å; L101-I166 HydrophobicContact CD2-CB 4.2Å; L101-I166 HydrophobicContact CD2-CG1 4.17Å; L101-I166 HydrophobicContact CD2-CG2 4.07Å
102	R	98.1	Very high	97.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-46.5	175.5	-76.4	-178.3	-69.1	145.2	7.5	111.5	F98 R99 R104 F105 A106 I107 D109 Y112 L179	F98-R102 WeakPolarHBondContact O-CB 3.44Å; F98-R102 WeakPolarHBondContact O-CG 3.21Å; F98-R102 PolarHBondContact O-N 2.78Å; F98-R102 PolarHBondContact O-NE 3.45Å; R99-R102 PolarHBondContact O-N 3.09Å; R102-R104 PolarHBondContact O-N 3.3Å; R102-F105 CarbonylContact O-C 3.53Å; R102-F105 PolarHBondContact O-N 3.35Å; R102-A106 PolarHBondContact O-N 3.25Å; R102-I107 CarbonylContact C-O 3.52Å; R102-I107 HydrophobicContact CB-CB 4.28Å; R102-I107 HydrophobicContact CB-CG2 4.48Å; R102-I107 HydrophobicContact CG-CG2 4.49Å; R102-I107 PolarHBondContact O-N 2.84Å; R102-D109 IonicContact CZ-OD1 3.77Å; R102-D109 IonicContact CZ-OD2 3.26Å; R102-D109 IonicContact NE-OD1 3.25Å; R102-D109 IonicContact NH1-OD1 2.64Å; R102-D109 PolarHBondContact NH1-OD1 2.74Å; R102-D109 IonicContact NH1-OD2 2.72Å; R102-D109 PolarHBondContact NH1-OD2 2.83Å; R102-D109 VanDerWaalsContact NH2-CG 3.29Å; R102-D109 IonicContact NH2-OD1 2.87Å; R102-D109 PolarHBondContact NH2-OD1 3.03Å; R102-D109 VanDerWaalsContact NH2-OD1 3.17Å; R102-D109 IonicContact NH2-OD2 3.26Å; R102-D109 PolarHBondContact NH2-OD2 3.45Å; R102-Y112 VanDerWaalsContact NH1-CD1 3.29Å; R102-L179 HydrophobicContact CG-CB 4.07Å; R102-L179 HydrophobicContact CG-CD2 4.06Å
103	E	96.3	Very high	97.2	Very high	118 Å²	118	32.7 Å²	32.7	55%	0.551	17%	0.171	S	C	*	.	H	α-helix	trans	-57	-47.5	173.6	-178.2	-175	-166.1	0	0	112.4	R99 N100 L101 F105 A106	R99-E103 PolarHBondContact O-N 2.95Å; R99-E103 VanDerWaalsContact O-N 3.13Å; N100-E103 PolarHBondContact ND2-OE2 2.88Å; N100-E103 VanDerWaalsContact ND2-OE2 3.13Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.04Å; E103-F105 PolarHBondContact O-N 3.39Å; E103-A106 WeakPolarHBondContact O-CA 3.5Å; E103-A106 PolarHBondContact O-N 3.5Å
104	R	96.7	Very high	97.1	Very high	88 Å²	88	34.6 Å²	34.6	33%	0.332	18%	0.182	S	C	.	.	H	α-helix	trans	-65.2	-24.9	178.8	-73.4	178.1	-179.4	-75.3	-2.9	114	N100 L101 R102 A106 I166	N100-R104 VanDerWaalsContact O-CG 3.29Å; N100-R104 WeakPolarHBondContact O-CG 3.43Å; N100-R104 PolarHBondContact O-N 2.95Å; N100-R104 PolarHBondContact OD1-NE 3.17Å; L101-R104 PolarHBondContact O-N 3.3Å; R102-R104 PolarHBondContact O-N 3.3Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-I166 HydrophobicContact CB-CG2 4.03Å
105	F	97.5	Very high	96.9	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.035	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12	173.2	-62.9	-46.5	0	0	0	113.1	L101 R102 E103 I107 Y162 I166 Q177 L179 R197	L101-F105 HydrophobicContact CB-CD2 4.39Å; L101-F105 HydrophobicContact CB-CE2 4.14Å; L101-F105 HydrophobicContact CD2-CE2 4.2Å; L101-F105 HydrophobicContact CD2-CZ 4.46Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 WeakPolarHBondContact O-CG 3.27Å; L101-F105 PolarHBondContact O-N 3.49Å; R102-F105 CarbonylContact O-C 3.53Å; R102-F105 PolarHBondContact O-N 3.35Å; E103-F105 PolarHBondContact O-N 3.39Å; F105-I107 VanDerWaalsContact C-N 3.27Å; F105-I107 HydrophobicContact CB-CD1 3.97Å; F105-I107 HydrophobicContact CB-CG1 4.39Å; F105-I107 PolarHBondContact O-N 3.17Å; F105-Y162 WeakPolarHBondContact CZ-OH 3.37Å; F105-I166 HydrophobicContact CE1-CD1 3.87Å; F105-I166 HydrophobicContact CE1-CG1 4.29Å; F105-I166 HydrophobicContact CE1-CG2 3.72Å; F105-I166 HydrophobicContact CZ-CB 4.48Å; F105-I166 HydrophobicContact CZ-CD1 3.71Å; F105-I166 HydrophobicContact CZ-CG1 3.82Å; F105-I166 HydrophobicContact CZ-CG2 3.78Å; F105-Q177 HydrophobicContact CD1-CB 4.18Å; F105-Q177 HydrophobicContact CD1-CG 3.61Å; F105-Q177 HydrophobicContact CD2-CB 3.77Å; F105-Q177 HydrophobicContact CD2-CG 4.15Å; F105-Q177 HydrophobicContact CE1-CB 4.11Å; F105-Q177 HydrophobicContact CE1-CG 3.5Å; F105-Q177 HydrophobicContact CE2-CB 3.68Å; F105-Q177 HydrophobicContact CE2-CG 4.04Å; F105-Q177 HydrophobicContact CG-CB 4.02Å; F105-Q177 HydrophobicContact CG-CG 3.95Å; F105-Q177 HydrophobicContact CZ-CB 3.86Å; F105-Q177 HydrophobicContact CZ-CG 3.72Å; F105-L179 HydrophobicContact CD2-CD2 3.76Å; F105-L179 HydrophobicContact CE2-CD2 4.47Å; F105-R197 PolarHBondContact O-NH2 2.86Å
106	A	96.6	Very high	96.8	Very high	86 Å²	86	34.3 Å²	34.3	71%	0.711	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	42.5	-177.8	0	0	0	0	0	112.7	R102 E103 R104	R102-A106 PolarHBondContact O-N 3.25Å; E103-A106 WeakPolarHBondContact O-CA 3.5Å; E103-A106 PolarHBondContact O-N 3.5Å; R104-A106 VanDerWaalsContact C-N 3.29Å
107	I	96.8	Very high	96.6	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	18%	0.175	C	C	.	.			trans	-110.6	116.6	175.1	-65.3	162	0	0	0	108.1	R102 F105 Y112 F142 L179	R102-I107 CarbonylContact C-O 3.52Å; R102-I107 HydrophobicContact CB-CB 4.28Å; R102-I107 HydrophobicContact CB-CG2 4.48Å; R102-I107 HydrophobicContact CG-CG2 4.49Å; R102-I107 PolarHBondContact O-N 2.84Å; F105-I107 VanDerWaalsContact C-N 3.27Å; F105-I107 HydrophobicContact CB-CD1 3.97Å; F105-I107 HydrophobicContact CB-CG1 4.39Å; F105-I107 PolarHBondContact O-N 3.17Å; I107-Y112 HydrophobicContact CG2-CD2 4.45Å; I107-F142 HydrophobicContact CD1-CE1 3.92Å; I107-F142 HydrophobicContact CD1-CZ 4.49Å; I107-F142 HydrophobicContact CG1-CE1 4.49Å; I107-F142 HydrophobicContact CG2-CE1 4.44Å; I107-F142 HydrophobicContact CG2-CZ 4Å; I107-L179 HydrophobicContact CD1-CD1 3.64Å; I107-L179 HydrophobicContact CD1-CD2 3.38Å; I107-L179 HydrophobicContact CD1-CG 4.15Å
108	D	96.1	Very high	96.3	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	21%	0.208	S	C	.	.			trans	-70.1	142.1	172.1	177.4	-96.1	0	0	0	111.3	Q110 D111 Y112	D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 2.93Å; D108-Q110 VanDerWaalsContact OD1-CA 3.32Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.43Å; D108-Q110 WeakPolarHBondContact OD1-CB 2.98Å; D108-Q110 PolarHBondContact OD1-N 3.31Å; D108-D111 HydrophobicContact CB-CB 4.13Å; D108-D111 PolarHBondContact O-N 2.79Å; D108-D111 PolarHBondContact OD1-N 3.44Å; D108-D111 VanDerWaalsContact OD1-N 3.1Å; D108-Y112 WeakPolarHBondContact O-CB 3.3Å; D108-Y112 PolarHBondContact O-N 2.96Å
109	D	96.8	Very high	95.9	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-35.7	-176.7	-92.2	27.6	0	0	0	112.2	I49 R102 Q113	I49-D109 HydrophobicContact CG2-CB 4.11Å; R102-D109 IonicContact CZ-OD1 3.77Å; R102-D109 IonicContact CZ-OD2 3.26Å; R102-D109 IonicContact NE-OD1 3.25Å; R102-D109 IonicContact NH1-OD1 2.64Å; R102-D109 PolarHBondContact NH1-OD1 2.74Å; R102-D109 IonicContact NH1-OD2 2.72Å; R102-D109 PolarHBondContact NH1-OD2 2.83Å; R102-D109 VanDerWaalsContact NH2-CG 3.29Å; R102-D109 IonicContact NH2-OD1 2.87Å; R102-D109 PolarHBondContact NH2-OD1 3.03Å; R102-D109 VanDerWaalsContact NH2-OD1 3.17Å; R102-D109 IonicContact NH2-OD2 3.26Å; R102-D109 PolarHBondContact NH2-OD2 3.45Å; D109-Q113 WeakPolarHBondContact O-CB 3.39Å; D109-Q113 PolarHBondContact O-N 3.17Å
110	Q	95.8	Very high	95.5	Very high	81 Å²	81	45.1 Å²	45.1	38%	0.379	23%	0.234	S	C	.	.	H	α-helix	trans	-73.1	-38.9	177	-61.8	-62.3	-60.2	0	0	111.3	D108 Q113 N114	D108-Q110 VanDerWaalsContact C-N 3.33Å; D108-Q110 PolarHBondContact O-N 2.93Å; D108-Q110 VanDerWaalsContact OD1-CA 3.32Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.43Å; D108-Q110 WeakPolarHBondContact OD1-CB 2.98Å; D108-Q110 PolarHBondContact OD1-N 3.31Å; Q110-Q113 PolarHBondContact O-N 3.1Å; Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.35Å; Q110-N114 PolarHBondContact O-ND2 3.1Å; Q110-N114 VanDerWaalsContact O-ND2 3.1Å
111	D	94.9	Very high	95.2	Very high	72 Å²	72	44 Å²	44	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-48.6	172.7	-81.1	-4.1	0	0	0	111.1	D108 Q113 N114 S115 R141	D108-D111 HydrophobicContact CB-CB 4.13Å; D108-D111 PolarHBondContact O-N 2.79Å; D108-D111 PolarHBondContact OD1-N 3.44Å; D108-D111 VanDerWaalsContact OD1-N 3.1Å; D111-Q113 VanDerWaalsContact C-N 3.33Å; D111-Q113 PolarHBondContact O-N 2.92Å; D111-N114 PolarHBondContact O-N 2.89Å; D111-N114 VanDerWaalsContact O-N 3.14Å; D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 3.38Å; D111-S115 PolarHBondContact O-OG 3.1Å; D111-S115 VanDerWaalsContact O-OG 3.1Å; D111-R141 IonicContact OD2-NH1 2.69Å
112	Y	97.5	Very high	94.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55	-47.7	175.1	177.8	-102.3	0	0	0	112.1	V45 I49 R102 I107 D108 L116 F142 L179 Y182 V195	V45-Y112 HydrophobicContact CG1-CE1 4.14Å; I49-Y112 HydrophobicContact CD1-CD1 4.2Å; I49-Y112 HydrophobicContact CD1-CE1 4.35Å; I49-Y112 HydrophobicContact CG1-CD1 4.3Å; R102-Y112 VanDerWaalsContact NH1-CD1 3.29Å; I107-Y112 HydrophobicContact CG2-CD2 4.45Å; D108-Y112 WeakPolarHBondContact O-CB 3.3Å; D108-Y112 PolarHBondContact O-N 2.96Å; Y112-L116 HydrophobicContact CD1-CD1 4.2Å; Y112-L116 HydrophobicContact CD2-CD1 4.13Å; Y112-L116 HydrophobicContact CE1-CD1 3.62Å; Y112-L116 HydrophobicContact CE2-CD1 3.53Å; Y112-L116 HydrophobicContact CE2-CG 4.47Å; Y112-L116 HydrophobicContact CG-CD1 4.44Å; Y112-L116 PolarHBondContact O-N 3.13Å; Y112-L116 WeakPolarHBondContact OH-CD1 3.18Å; Y112-F142 HydrophobicContact CD2-CD2 4.32Å; Y112-F142 HydrophobicContact CD2-CE1 4.34Å; Y112-F142 AromaticContact CD2-CE2 3.97Å; Y112-F142 HydrophobicContact CD2-CE2 3.97Å; Y112-F142 AromaticContact CD2-CZ 3.98Å; Y112-F142 HydrophobicContact CD2-CZ 3.98Å; Y112-L179 HydrophobicContact CD2-CB 4.39Å; Y112-L179 HydrophobicContact CD2-CD1 4.34Å; Y112-L179 HydrophobicContact CE2-CB 3.7Å; Y112-L179 HydrophobicContact CE2-CD1 4.12Å; Y112-Y182 PolarHBondContact OH-OH 3.29Å; Y112-V195 HydrophobicContact CE2-CB 4.45Å; Y112-V195 HydrophobicContact CE2-CG1 3.79Å; Y112-V195 WeakPolarHBondContact OH-CB 3.41Å
113	Q	96.6	Very high	94.1	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-44.5	176.3	-179.2	-179.4	6	0	0	111.5	N46 I49 N50 D109 Q110 D111 L116 T117	N46-Q113 PolarHBondContact O-NE2 3.37Å; N46-Q113 PolarHBondContact OD1-NE2 3Å; I49-Q113 HydrophobicContact CB-CB 4.27Å; I49-Q113 HydrophobicContact CB-CG 4.37Å; I49-Q113 HydrophobicContact CG1-CB 4.25Å; I49-Q113 HydrophobicContact CG2-CB 4.07Å; I49-Q113 HydrophobicContact CG2-CG 4.47Å; N50-Q113 PolarHBondContact ND2-NE2 3.38Å; N50-Q113 PolarHBondContact OD1-NE2 2.66Å; N50-Q113 VanDerWaalsContact OD1-NE2 3.12Å; D109-Q113 WeakPolarHBondContact O-CB 3.39Å; D109-Q113 PolarHBondContact O-N 3.17Å; Q110-Q113 PolarHBondContact O-N 3.1Å; D111-Q113 VanDerWaalsContact C-N 3.33Å; D111-Q113 PolarHBondContact O-N 2.92Å; Q113-L116 PolarHBondContact O-N 3.26Å; Q113-T117 HydrophobicContact CG-CG2 4.45Å; Q113-T117 VanDerWaalsContact O-CB 3.25Å; Q113-T117 WeakPolarHBondContact O-CB 3.49Å; Q113-T117 WeakPolarHBondContact O-CG2 3.44Å; Q113-T117 PolarHBondContact O-N 3.08Å; Q113-T117 PolarHBondContact O-OG1 3.18Å
114	N	95.3	Very high	92.7	Very high	57 Å²	57	48.5 Å²	48.5	31%	0.305	26%	0.26	S	S	.	.	H	α-helix	trans	-65.8	-46	-179.2	-74.7	-35	0	0	0	111.4	K29 Q110 D111 L116 T117 R118 Y138	K29-N114 PolarHBondContact NZ-OD1 2.83Å; Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.35Å; Q110-N114 PolarHBondContact O-ND2 3.1Å; Q110-N114 VanDerWaalsContact O-ND2 3.1Å; D111-N114 PolarHBondContact O-N 2.89Å; D111-N114 VanDerWaalsContact O-N 3.14Å; N114-L116 VanDerWaalsContact C-N 3.27Å; N114-L116 PolarHBondContact O-N 3.05Å; N114-T117 PolarHBondContact O-N 3.22Å; N114-R118 WeakPolarHBondContact O-CB 3.39Å; N114-R118 PolarHBondContact O-N 3.28Å; N114-Y138 WeakPolarHBondContact O-CE1 3.28Å
115	S	95.1	Very high	90.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-37.7	176.4	-64.9	0	0	0	0	113.1	D111 S137 Y138 D139 F142	D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 3.38Å; D111-S115 PolarHBondContact O-OG 3.1Å; D111-S115 VanDerWaalsContact O-OG 3.1Å; S115-S137 WeakPolarHBondContact O-CB 3.31Å; S115-Y138 WeakPolarHBondContact O-CD1 3.48Å; S115-Y138 VanDerWaalsContact O-CE1 3.25Å; S115-Y138 WeakPolarHBondContact O-CE1 3.36Å; S115-D139 WeakPolarHBondContact CB-OD2 3.36Å; S115-D139 PolarHBondContact OG-OD2 2.53Å; S115-F142 VanDerWaalsContact CB-CD2 3.49Å
116	L	94.8	Very high	88.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-89	-17.1	-178.3	-69.5	176.6	0	0	0	114.8	M42 V45 Y112 Q113 N114 F142 I144 V195	M42-L116 WeakPolarHBondContact CG-O 3.43Å; V45-L116 HydrophobicContact CG1-CB 4.19Å; V45-L116 HydrophobicContact CG1-CD1 3.99Å; V45-L116 HydrophobicContact CG2-CD1 4.33Å; Y112-L116 HydrophobicContact CD1-CD1 4.2Å; Y112-L116 HydrophobicContact CD2-CD1 4.13Å; Y112-L116 HydrophobicContact CE1-CD1 3.62Å; Y112-L116 HydrophobicContact CE2-CD1 3.53Å; Y112-L116 HydrophobicContact CE2-CG 4.47Å; Y112-L116 HydrophobicContact CG-CD1 4.44Å; Y112-L116 PolarHBondContact O-N 3.13Å; Y112-L116 WeakPolarHBondContact OH-CD1 3.18Å; Q113-L116 PolarHBondContact O-N 3.26Å; N114-L116 VanDerWaalsContact C-N 3.27Å; N114-L116 PolarHBondContact O-N 3.05Å; L116-F142 HydrophobicContact CD2-CB 4.35Å; L116-F142 HydrophobicContact CG-CD2 4.47Å; L116-I144 HydrophobicContact CD2-CD1 3.85Å; L116-I144 HydrophobicContact CD2-CG1 4.03Å; L116-V195 HydrophobicContact CD1-CG1 4.31Å; L116-V195 HydrophobicContact CD1-CG2 4.45Å; L116-V195 HydrophobicContact CD2-CG1 4.48Å
117	T	93.8	Very high	85.5	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-126.3	-12.8	-167.4	72.7	0	0	0	0	115.1	M42 V45 N46 Q113 N114	M42-T117 HydrophobicContact CB-CG2 4.38Å; M42-T117 VanDerWaalsContact O-CG2 3.27Å; M42-T117 WeakPolarHBondContact O-CG2 3.32Å; V45-T117 HydrophobicContact CB-CG2 4.16Å; V45-T117 HydrophobicContact CG1-CG2 4.06Å; N46-T117 HydrophobicContact CB-CG2 4.11Å; Q113-T117 HydrophobicContact CG-CG2 4.45Å; Q113-T117 VanDerWaalsContact O-CB 3.25Å; Q113-T117 WeakPolarHBondContact O-CB 3.49Å; Q113-T117 WeakPolarHBondContact O-CG2 3.44Å; Q113-T117 PolarHBondContact O-N 3.08Å; Q113-T117 PolarHBondContact O-OG1 3.18Å; N114-T117 PolarHBondContact O-N 3.22Å
118	R	90.9	Very high	82.3	Confident	189 Å²	189	58.8 Å²	58.8	71%	0.713	33%	0.325	S	S	*	.	S	Bend	trans	-68.2	-36.9	178.1	-175.4	-176.1	-176	177.8	-1.5	111.9	N114 Y138	N114-R118 WeakPolarHBondContact O-CB 3.39Å; N114-R118 PolarHBondContact O-N 3.28Å; R118-Y138 HydrophobicContact CB-CD1 4.36Å; R118-Y138 HydrophobicContact CB-CE1 3.66Å; R118-Y138 VanDerWaalsContact CD-OH 3.24Å; R118-Y138 WeakPolarHBondContact CD-OH 3.32Å; R118-Y138 HydrophobicContact CG-CE1 4.44Å
119	S	90.8	Very high	79.2	Confident	58 Å²	58	65.3 Å²	65.3	41%	0.406	34%	0.343	S	S	.	.	S	Bend	trans	-142.5	155.3	173.2	-178.4	0	0	0	0	109.5
120	A	90	Very high	75.9	Confident	24 Å²	24	73.8 Å²	73.8	20%	0.198	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.7	136.5	179.4	0	0	0	0	0	110.7	A33 M42	A33-A120 HydrophobicContact CB-CB 3.91Å; M42-A120 HydrophobicContact CE-CB 4.15Å; M42-A120 HydrophobicContact SD-CB 4.3Å
121	P	91.3	Very high	73.2	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.032	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-56.2	140.8	171.9	-26.8	35.6	0	0	0	112	L41 L135 T136 I144	L41-P121 HydrophobicContact CD2-CG 4.37Å; P121-L135 HydrophobicContact CB-CB 3.89Å; P121-T136 CarbonylContact C-O 3.46Å; P121-T136 VanDerWaalsContact CA-O 3.24Å; P121-T136 WeakPolarHBondContact CA-O 3.16Å; P121-T136 WeakPolarHBondContact CB-O 3.3Å; P121-I144 HydrophobicContact CB-CD1 3.63Å; P121-I144 HydrophobicContact CG-CD1 3.53Å
122	L	89	Confident	71.3	Confident	84 Å²	84	73.3 Å²	73.3	44%	0.44	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.5	-178.4	-58.2	176.3	0	0	0	110	S124 L135 T136	L122-S124 PolarHBondContact O-N 3.38Å; L122-L135 CarbonylContact O-C 3.58Å; L122-L135 VanDerWaalsContact O-CA 3.23Å; L122-L135 WeakPolarHBondContact O-CA 3.33Å; L122-T136 PolarHBondContact N-O 2.89Å; L122-T136 PolarHBondContact O-N 2.85Å
123	N	83	Confident	70	Confident	67 Å²	67	79 Å²	79	36%	0.358	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124	168.8	-71.3	-52.9	0	0	0	108.6	D125 L135	N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 2.86Å; N123-L135 WeakPolarHBondContact OD1-CD2 3.47Å
124	S	68.2	Low	69.4	Low	62 Å²	62	81.4 Å²	81.4	43%	0.434	42%	0.424	S	S	.	.			trans	-77.6	85.6	165.8	-62.4	0	0	0	0	107.4	L122 S126 F134 T136	L122-S124 PolarHBondContact O-N 3.38Å; S124-S126 PolarHBondContact O-N 3.14Å; S124-F134 PolarHBondContact N-O 3.18Å; S124-F134 VanDerWaalsContact N-O 3.1Å; S124-T136 PolarHBondContact OG-OG1 3.3Å
125	D	52.2	Low	69.2	Low	145 Å²	145	78.9 Å²	78.9	78%	0.775	41%	0.41	S	S	*	.			trans	-62.6	122.7	-177.8	-88.2	-29.2	0	0	0	110.9	N123	N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 2.86Å
126	S	44.1	Very low	69	Low	57 Å²	57	79.3 Å²	79.3	40%	0.399	41%	0.412	S	S	.	.			trans	157.7	16.7	141.9	63.6	0	0	0	0	114.4	S124 K228	S124-S126 PolarHBondContact O-N 3.14Å; S126-K228 VanDerWaalsContact CB-CE 3.42Å; S126-K228 VanDerWaalsContact CB-NZ 3.28Å; S126-K228 VanDerWaalsContact O-CE 3.24Å; S126-K228 WeakPolarHBondContact O-CE 3.4Å; S126-K228 PolarHBondContact O-NZ 2.92Å; S126-K228 PolarHBondContact OG-NZ 3.36Å
127	Q	41.9	Very low	69	Low	142 Å²	142	79.2 Å²	79.2	66%	0.664	41%	0.412	S	S	*	.			trans	-100.8	100.5	163	-69.6	-153.3	-5.4	0	0	111.1
128	G	30.6	Very low	68.9	Low	60 Å²	60	81.9 Å²	81.9	62%	0.619	42%	0.422	S	S	*	.			trans	-67.8	143.4	173.4	0	0	0	0	0	112.9
129	R	30.3	Very low	68.9	Low	226 Å²	226	74.2 Å²	74.2	85%	0.853	40%	0.395	S	S	*	.	S	Bend	trans	58.6	112.2	164.6	-90	-172.1	-167.6	-176.8	4.9	118.4
130	F	28	Very low	69	Low	205 Å²	205	75.4 Å²	75.4	90%	0.899	39%	0.394	S	S	*	.	S	Bend	trans	58.5	92.3	156.7	-62.1	-79.8	0	0	0	116.1
131	G	39.9	Very low	69.2	Low	56 Å²	56	76.9 Å²	76.9	58%	0.577	40%	0.395	S	S	*	.	S	Bend	trans	156.9	-68.6	157.6	0	0	0	0	0	114.7
132	N	54.9	Low	69.4	Low	87 Å²	87	76.7 Å²	76.7	47%	0.465	39%	0.393	S	S	.	.			trans	-122.9	91.4	-164.1	-70.2	19.4	0	0	0	111.1	F134	N132-F134 HydrophobicContact CB-CE2 3.96Å; N132-F134 HydrophobicContact CB-CZ 4.43Å; N132-F134 WeakPolarHBondContact O-CD2 3.24Å; N132-F134 PolarHBondContact O-N 2.99Å
133	R	68.7	Low	69.7	Low	120 Å²	120	73.4 Å²	73.4	45%	0.453	38%	0.377	S	S	.	.			trans	-74	118.9	169.9	-53.3	-177.3	85.9	173.5	2.8	108	E35 T146	E35-R133 VanDerWaalsContact CD-NH2 3.34Å; E35-R133 IonicContact OE1-CZ 3.35Å; E35-R133 IonicContact OE1-NH1 3.96Å; E35-R133 IonicContact OE1-NH2 3.23Å; E35-R133 PolarHBondContact OE1-NH2 3.46Å; E35-R133 IonicContact OE2-CZ 3.02Å; E35-R133 VanDerWaalsContact OE2-CZ 3.31Å; E35-R133 IonicContact OE2-NH1 2.75Å; E35-R133 PolarHBondContact OE2-NH1 2.89Å; E35-R133 IonicContact OE2-NH2 3.81Å; E35-R133 PolarHBondContact OE2-NH2 3.1Å; R133-T146 PolarHBondContact O-N 2.97Å; R133-T146 PolarHBondContact O-OG1 3.41Å
134	F	84.1	Confident	70.3	Confident	55 Å²	55	70.2 Å²	70.2	24%	0.241	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.2	169.8	-66.9	-91	0	0	0	108.1	S124 N132 V143 K145	S124-F134 PolarHBondContact N-O 3.18Å; S124-F134 VanDerWaalsContact N-O 3.1Å; N132-F134 HydrophobicContact CB-CE2 3.96Å; N132-F134 HydrophobicContact CB-CZ 4.43Å; N132-F134 WeakPolarHBondContact O-CD2 3.24Å; N132-F134 PolarHBondContact O-N 2.99Å; F134-V143 HydrophobicContact CD1-CG1 4.21Å; F134-K145 HydrophobicContact CD1-CD 4.22Å; F134-K145 HydrophobicContact CD1-CG 3.82Å; F134-K145 HydrophobicContact CE1-CD 3.66Å; F134-K145 HydrophobicContact CE1-CG 3.77Å
135	L	91	Very high	71.5	Confident	4 Å²	4	69 Å²	69	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.6	170.7	-50.7	159.7	0	0	0	108.1	L38 P121 L122 N123 V143 I144 M193	L38-L135 HydrophobicContact CD2-CD1 3.43Å; L38-L135 VanDerWaalsContact CD2-CD1 3.43Å; L38-L135 HydrophobicContact CD2-CD2 4.2Å; L38-L135 HydrophobicContact CD2-CG 4.44Å; P121-L135 HydrophobicContact CB-CB 3.89Å; L122-L135 CarbonylContact O-C 3.58Å; L122-L135 VanDerWaalsContact O-CA 3.23Å; L122-L135 WeakPolarHBondContact O-CA 3.33Å; N123-L135 WeakPolarHBondContact OD1-CD2 3.47Å; L135-V143 CarbonylContact O-C 3.54Å; L135-V143 WeakPolarHBondContact O-CA 3.24Å; L135-I144 HydrophobicContact CB-CB 4.13Å; L135-I144 HydrophobicContact CB-CD1 4.03Å; L135-I144 HydrophobicContact CD1-CB 4.41Å; L135-I144 HydrophobicContact CD1-CD1 4.46Å; L135-I144 HydrophobicContact CD1-CG2 4.4Å; L135-I144 PolarHBondContact N-O 2.84Å; L135-I144 PolarHBondContact O-N 2.84Å; L135-M193 HydrophobicContact CD1-CE 4.49Å
136	T	92.4	Very high	73.4	Confident	11 Å²	11	63 Å²	63	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.7	174.4	-59.8	0	0	0	0	108.5	P121 L122 S124 H140 F142	P121-T136 CarbonylContact C-O 3.46Å; P121-T136 VanDerWaalsContact CA-O 3.24Å; P121-T136 WeakPolarHBondContact CA-O 3.16Å; P121-T136 WeakPolarHBondContact CB-O 3.3Å; L122-T136 PolarHBondContact N-O 2.89Å; L122-T136 PolarHBondContact O-N 2.85Å; S124-T136 PolarHBondContact OG-OG1 3.3Å; T136-H140 HydrophobicContact CG2-CB 4.21Å; T136-F142 CarbonylContact C-O 3.54Å; T136-F142 WeakPolarHBondContact CA-O 3.31Å
137	S	94.5	Very high	75.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.			trans	-57.8	155.6	172.5	59.7	0	0	0	0	110.4	S115 D139 H140 R141 F142	S115-S137 WeakPolarHBondContact O-CB 3.31Å; S137-D139 VanDerWaalsContact CB-OD1 3.26Å; S137-D139 WeakPolarHBondContact CB-OD1 3.34Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 VanDerWaalsContact O-N 3.12Å; S137-D139 PolarHBondContact OG-OD1 2.96Å; S137-H140 PolarHBondContact O-N 3.19Å; S137-R141 PolarHBondContact OG-N 2.93Å; S137-F142 PolarHBondContact N-O 3.31Å; S137-F142 PolarHBondContact OG-N 3.42Å; S137-F142 PolarHBondContact OG-O 2.94Å
138	Y	91.3	Very high	78.1	Confident	62 Å²	62	56.5 Å²	56.5	24%	0.243	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.6	-176.6	78.8	-85.2	0	0	0	113.3	N114 S115 R118	N114-Y138 WeakPolarHBondContact O-CE1 3.28Å; S115-Y138 WeakPolarHBondContact O-CD1 3.48Å; S115-Y138 VanDerWaalsContact O-CE1 3.25Å; S115-Y138 WeakPolarHBondContact O-CE1 3.36Å; R118-Y138 HydrophobicContact CB-CD1 4.36Å; R118-Y138 HydrophobicContact CB-CE1 3.66Å; R118-Y138 VanDerWaalsContact CD-OH 3.24Å; R118-Y138 WeakPolarHBondContact CD-OH 3.32Å; R118-Y138 HydrophobicContact CG-CE1 4.44Å
139	D	91.6	Very high	81.1	Confident	28 Å²	28	56.4 Å²	56.4	15%	0.15	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	10.5	177.3	64.7	-4.2	0	0	0	112.5	S115 S137 R141 H202	S115-D139 WeakPolarHBondContact CB-OD2 3.36Å; S115-D139 PolarHBondContact OG-OD2 2.53Å; S137-D139 VanDerWaalsContact CB-OD1 3.26Å; S137-D139 WeakPolarHBondContact CB-OD1 3.34Å; S137-D139 PolarHBondContact O-N 3.33Å; S137-D139 VanDerWaalsContact O-N 3.12Å; S137-D139 PolarHBondContact OG-OD1 2.96Å; D139-R141 HydrophobicContact CB-CG 4.47Å; D139-R141 PolarHBondContact O-N 2.58Å; D139-R141 PolarHBondContact OD1-N 3.12Å; D139-R141 VanDerWaalsContact OD2-CD 3.3Å; D139-R141 WeakPolarHBondContact OD2-CD 3.3Å; D139-H202 VanDerWaalsContact O-CB 3.3Å; D139-H202 WeakPolarHBondContact O-CB 3.4Å
140	H	91.9	Very high	84	Confident	84 Å²	84	51.9 Å²	51.9	39%	0.389	26%	0.263	S	S	.	.	S	Bend	trans	58.6	10.8	177.4	-57.2	-80.2	0	0	0	116.7	T136 S137 N198 H202	T136-H140 HydrophobicContact CG2-CB 4.21Å; S137-H140 PolarHBondContact O-N 3.19Å; H140-N198 VanDerWaalsContact O-CB 3.28Å; H140-N198 WeakPolarHBondContact O-CB 3.19Å; H140-N198 PolarHBondContact O-ND2 2.89Å; H140-H202 HydrophobicContact CB-CB 4.15Å
141	R	94	Very high	87.1	Confident	55 Å²	55	44 Å²	44	21%	0.208	23%	0.23	C	C	.	.	S	Bend	trans	-78.5	-28.9	179.4	-65.5	178.7	72.3	-176.2	4.6	113.9	D111 S137 D139 N198 H202	D111-R141 IonicContact OD2-NH1 2.69Å; S137-R141 PolarHBondContact OG-N 2.93Å; D139-R141 HydrophobicContact CB-CG 4.47Å; D139-R141 PolarHBondContact O-N 2.58Å; D139-R141 PolarHBondContact OD1-N 3.12Å; D139-R141 VanDerWaalsContact OD2-CD 3.3Å; D139-R141 WeakPolarHBondContact OD2-CD 3.3Å; R141-N198 WeakPolarHBondContact O-CB 3.25Å; R141-N198 PolarHBondContact O-N 2.86Å; R141-H202 HydrophobicContact CG-CB 4.17Å
142	F	96.3	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.9	-173.5	-55.1	-58.1	0	0	0	112.3	I107 Y112 S115 L116 T136 S137 L179 V195 T196	I107-F142 HydrophobicContact CD1-CE1 3.92Å; I107-F142 HydrophobicContact CD1-CZ 4.49Å; I107-F142 HydrophobicContact CG1-CE1 4.49Å; I107-F142 HydrophobicContact CG2-CE1 4.44Å; I107-F142 HydrophobicContact CG2-CZ 4Å; Y112-F142 HydrophobicContact CD2-CD2 4.32Å; Y112-F142 HydrophobicContact CD2-CE1 4.34Å; Y112-F142 AromaticContact CD2-CE2 3.97Å; Y112-F142 HydrophobicContact CD2-CE2 3.97Å; Y112-F142 AromaticContact CD2-CZ 3.98Å; Y112-F142 HydrophobicContact CD2-CZ 3.98Å; S115-F142 VanDerWaalsContact CB-CD2 3.49Å; L116-F142 HydrophobicContact CD2-CB 4.35Å; L116-F142 HydrophobicContact CG-CD2 4.47Å; T136-F142 CarbonylContact C-O 3.54Å; T136-F142 WeakPolarHBondContact CA-O 3.31Å; S137-F142 PolarHBondContact N-O 3.31Å; S137-F142 PolarHBondContact OG-N 3.42Å; S137-F142 PolarHBondContact OG-O 2.94Å; F142-L179 HydrophobicContact CD1-CD1 3.27Å; F142-L179 HydrophobicContact CE1-CD1 3.3Å; F142-L179 HydrophobicContact CG-CD1 4.33Å; F142-L179 HydrophobicContact CZ-CD1 4.36Å; F142-V195 HydrophobicContact CB-CG1 4.05Å; F142-T196 CarbonylContact C-O 3.59Å; F142-T196 WeakPolarHBondContact CA-O 3.39Å
143	V	95.4	Very high	91.5	Very high	16 Å²	16	40 Å²	40	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.8	173.6	176.5	0	0	0	0	108.7	F134 L135 K145 V195 T196 N198	F134-V143 HydrophobicContact CD1-CG1 4.21Å; L135-V143 CarbonylContact O-C 3.54Å; L135-V143 WeakPolarHBondContact O-CA 3.24Å; V143-K145 HydrophobicContact CG1-CG 4Å; V143-V195 CarbonylContact O-C 3.55Å; V143-V195 WeakPolarHBondContact O-CA 3.28Å; V143-T196 PolarHBondContact N-O 3.01Å; V143-T196 PolarHBondContact O-N 2.94Å; V143-N198 HydrophobicContact CG2-CB 3.94Å
144	I	95.6	Very high	92.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.8	173.2	-50.7	135.8	0	0	0	107.3	L41 L116 P121 L135 M193 V194 V195	L41-I144 HydrophobicContact CD2-CD1 3.91Å; L41-I144 HydrophobicContact CD2-CG1 4.46Å; L41-I144 HydrophobicContact CD2-CG2 4.26Å; L116-I144 HydrophobicContact CD2-CD1 3.85Å; L116-I144 HydrophobicContact CD2-CG1 4.03Å; P121-I144 HydrophobicContact CB-CD1 3.63Å; P121-I144 HydrophobicContact CG-CD1 3.53Å; L135-I144 HydrophobicContact CB-CB 4.13Å; L135-I144 HydrophobicContact CB-CD1 4.03Å; L135-I144 HydrophobicContact CD1-CB 4.41Å; L135-I144 HydrophobicContact CD1-CD1 4.46Å; L135-I144 HydrophobicContact CD1-CG2 4.4Å; L135-I144 PolarHBondContact N-O 2.84Å; L135-I144 PolarHBondContact O-N 2.84Å; I144-M193 HydrophobicContact CG2-CB 3.9Å; I144-M193 HydrophobicContact CG2-CG 4.14Å; I144-M193 HydrophobicContact CG2-SD 3.97Å; I144-V194 WeakPolarHBondContact CA-O 3.31Å; I144-V195 HydrophobicContact CB-CG2 4.44Å; I144-V195 HydrophobicContact CG1-CG2 3.89Å; I144-V195 HydrophobicContact CG2-CG2 4.27Å
145	K	92.8	Very high	93.1	Very high	37 Å²	37	33.2 Å²	33.2	16%	0.161	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.2	177.3	-59.3	-168.8	-179.4	-168.5	0	109.4	F134 V143 V147 M193 V194 D365	F134-K145 HydrophobicContact CD1-CD 4.22Å; F134-K145 HydrophobicContact CD1-CG 3.82Å; F134-K145 HydrophobicContact CE1-CD 3.66Å; F134-K145 HydrophobicContact CE1-CG 3.77Å; V143-K145 HydrophobicContact CG1-CG 4Å; K145-V147 HydrophobicContact CB-CG1 4.24Å; K145-M193 VanDerWaalsContact O-CA 3.31Å; K145-M193 WeakPolarHBondContact O-CA 3.21Å; K145-V194 PolarHBondContact N-O 3.27Å; K145-V194 PolarHBondContact O-N 2.85Å; K145-D365 IonicContact NZ-OD1 3.62Å; K145-D365 PolarHBondContact NZ-OD1 3.44Å
146	T	92.8	Very high	93.3	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128	163.3	-56.6	0	0	0	0	108.8	R133 T191 Y192	R133-T146 PolarHBondContact O-N 2.97Å; R133-T146 PolarHBondContact O-OG1 3.41Å; T146-T191 HydrophobicContact CG2-CG2 3.77Å; T146-Y192 WeakPolarHBondContact CA-O 3.17Å
147	V	92.4	Very high	93.4	Very high	19 Å²	19	40.5 Å²	40.5	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164.9	-176.1	-61.4	0	0	0	0	111.3	K145 D151 I152 Y192 V194	K145-V147 HydrophobicContact CB-CG1 4.24Å; V147-D151 HydrophobicContact CB-CB 3.85Å; V147-D151 HydrophobicContact CG2-CB 4.33Å; V147-I152 HydrophobicContact CG2-CD1 3.66Å; V147-I152 HydrophobicContact CG2-CG1 3.85Å; V147-Y192 PolarHBondContact N-O 2.66Å; V147-V194 HydrophobicContact CG1-CB 4.46Å; V147-V194 HydrophobicContact CG1-CG2 4.23Å; V147-V194 HydrophobicContact CG2-CG2 3.91Å
148	S	92.5	Very high	93.4	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	22%	0.215	S	C	.	.			trans	-78.8	166.7	175.2	68.3	0	0	0	0	112	E150 D151 I152	S148-E150 WeakPolarHBondContact CB-OE2 3.16Å; S148-E150 PolarHBondContact O-N 3.48Å; S148-D151 WeakPolarHBondContact CB-OD2 3.43Å; S148-D151 PolarHBondContact N-OD2 2.97Å; S148-D151 PolarHBondContact O-N 3.36Å; S148-D151 PolarHBondContact OG-N 2.98Å; S148-D151 VanDerWaalsContact OG-N 3.11Å; S148-D151 PolarHBondContact OG-OD2 3.4Å; S148-I152 WeakPolarHBondContact O-CG1 3.25Å; S148-I152 PolarHBondContact O-N 3.47Å
149	S	92.7	Very high	93.7	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	20%	0.204	S	C	.	.	H	α-helix	trans	-64.8	-30.3	172.5	46.8	0	0	0	0	112.7	I152 A153	S149-I152 PolarHBondContact O-N 2.89Å; S149-A153 PolarHBondContact O-N 2.83Å; S149-A153 VanDerWaalsContact O-N 3.1Å
150	E	91.4	Very high	94	Very high	131 Å²	131	42.4 Å²	42.4	61%	0.612	22%	0.222	S	C	*	.	H	α-helix	trans	-66.7	-42.7	176	-66.7	77.6	178.6	0	0	110.6	S148 I152 A153 E154	S148-E150 WeakPolarHBondContact CB-OE2 3.16Å; S148-E150 PolarHBondContact O-N 3.48Å; E150-I152 VanDerWaalsContact C-N 3.3Å; E150-I152 PolarHBondContact O-N 3.21Å; E150-A153 WeakPolarHBondContact O-CB 3.12Å; E150-A153 PolarHBondContact O-N 2.91Å; E150-E154 PolarHBondContact O-N 3.45Å
151	D	91.9	Very high	94.3	Very high	40 Å²	40	43.7 Å²	43.7	21%	0.214	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-37.4	175.5	-65	-43.4	0	0	0	111.8	V147 S148 E154 M155 L367	V147-D151 HydrophobicContact CB-CB 3.85Å; V147-D151 HydrophobicContact CG2-CB 4.33Å; S148-D151 WeakPolarHBondContact CB-OD2 3.43Å; S148-D151 PolarHBondContact N-OD2 2.97Å; S148-D151 PolarHBondContact O-N 3.36Å; S148-D151 PolarHBondContact OG-N 2.98Å; S148-D151 VanDerWaalsContact OG-N 3.11Å; S148-D151 PolarHBondContact OG-OD2 3.4Å; D151-E154 PolarHBondContact O-N 3.14Å; D151-M155 WeakPolarHBondContact O-CB 3.26Å; D151-M155 PolarHBondContact O-N 2.99Å; D151-L367 HydrophobicContact CB-CD1 3.94Å
152	I	94.6	Very high	94.5	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-40.6	175.8	-64.8	-71.8	0	0	0	111.1	Y93 V147 S148 S149 E150 E154 M155 H156 M181 Y192 V194	Y93-I152 HydrophobicContact CE1-CG2 4.35Å; V147-I152 HydrophobicContact CG2-CD1 3.66Å; V147-I152 HydrophobicContact CG2-CG1 3.85Å; S148-I152 WeakPolarHBondContact O-CG1 3.25Å; S148-I152 PolarHBondContact O-N 3.47Å; S149-I152 PolarHBondContact O-N 2.89Å; E150-I152 VanDerWaalsContact C-N 3.3Å; E150-I152 PolarHBondContact O-N 3.21Å; I152-E154 VanDerWaalsContact C-N 3.34Å; I152-M155 PolarHBondContact O-N 3.42Å; I152-H156 PolarHBondContact O-CD2 2.88Å; I152-H156 PolarHBondContact O-N 3.43Å; I152-M181 HydrophobicContact CD1-CG 3.45Å; I152-M181 VanDerWaalsContact CD1-CG 3.45Å; I152-M181 HydrophobicContact CD1-SD 3.45Å; I152-M181 WeakPolarHBondContact CD1-SD 3.37Å; I152-M181 HydrophobicContact CG2-CE 4.34Å; I152-M181 HydrophobicContact CG2-SD 4.02Å; I152-Y192 HydrophobicContact CB-CD1 4.43Å; I152-Y192 HydrophobicContact CD1-CD1 4.34Å; I152-Y192 HydrophobicContact CG1-CD1 3.67Å; I152-Y192 HydrophobicContact CG1-CG 3.93Å; I152-V194 HydrophobicContact CD1-CG2 4.16Å
153	A	93.5	Very high	94.6	Very high	52 Å²	52	42.3 Å²	42.3	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-42.5	175.1	0	0	0	0	0	111	S149 E150 H156 N157	S149-A153 PolarHBondContact O-N 2.83Å; S149-A153 VanDerWaalsContact O-N 3.1Å; E150-A153 WeakPolarHBondContact O-CB 3.12Å; E150-A153 PolarHBondContact O-N 2.91Å; A153-H156 WeakPolarHBondContact O-CB 3.29Å; A153-H156 PolarHBondContact O-N 3.13Å; A153-N157 VanDerWaalsContact O-CG 3.3Å; A153-N157 PolarHBondContact O-N 3.43Å; A153-N157 VanDerWaalsContact O-N 3.08Å; A153-N157 PolarHBondContact O-ND2 2.96Å
154	E	92.3	Very high	94.7	Very high	30 Å²	30	46.5 Å²	46.5	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-39.7	177.1	-167.6	55.1	-151.2	0	0	112.1	E150 D151 I152 H156 N157 I158 H369	E150-E154 PolarHBondContact O-N 3.45Å; D151-E154 PolarHBondContact O-N 3.14Å; I152-E154 VanDerWaalsContact C-N 3.34Å; E154-H156 VanDerWaalsContact C-N 3.3Å; E154-H156 PolarHBondContact O-N 3.09Å; E154-N157 WeakPolarHBondContact O-CB 3.09Å; E154-N157 PolarHBondContact O-N 3.49Å; E154-N157 PolarHBondContact OE2-ND2 3.3Å; E154-I158 PolarHBondContact O-N 2.84Å; E154-I158 VanDerWaalsContact O-N 3.07Å; E154-H369 HydrophobicContact CG-CB 4.2Å; E154-H369 IonicContact OE1-CD2 3.56Å; E154-H369 PolarHBondContact OE1-CD2 3.08Å; E154-H369 IonicContact OE1-CG 3.79Å
155	M	95.1	Very high	94.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-57.4	-44.2	172.8	-175.7	162.6	-72.3	0	0	111.2	F98 D151 I152 N157 I158 L159 F178 M181 V194 L367	F98-M155 HydrophobicContact CZ-SD 4.32Å; D151-M155 WeakPolarHBondContact O-CB 3.26Å; D151-M155 PolarHBondContact O-N 2.99Å; I152-M155 PolarHBondContact O-N 3.42Å; M155-N157 VanDerWaalsContact C-N 3.31Å; M155-N157 PolarHBondContact O-N 3.19Å; M155-I158 WeakPolarHBondContact O-CG1 3.43Å; M155-I158 PolarHBondContact O-N 3.19Å; M155-L159 WeakPolarHBondContact O-CA 3.5Å; M155-L159 VanDerWaalsContact O-CB 3.26Å; M155-L159 WeakPolarHBondContact O-CB 3.3Å; M155-L159 PolarHBondContact O-N 2.93Å; M155-F178 HydrophobicContact CE-CD1 3.53Å; M155-F178 HydrophobicContact CE-CD2 4.14Å; M155-F178 HydrophobicContact CE-CE1 3.32Å; M155-F178 HydrophobicContact CE-CE2 3.94Å; M155-F178 HydrophobicContact CE-CG 3.96Å; M155-F178 HydrophobicContact CE-CZ 3.54Å; M155-M181 HydrophobicContact CB-SD 4.02Å; M155-M181 HydrophobicContact CG-SD 3.81Å; M155-M181 HydrophobicContact SD-CB 4.47Å; M155-M181 HydrophobicContact SD-CG 4.35Å; M155-M181 HydrophobicContact SD-SD 3.44Å; M155-V194 HydrophobicContact CE-CG1 3.89Å; M155-V194 HydrophobicContact CE-CG2 3.98Å; M155-V194 HydrophobicContact SD-CG1 4.33Å; M155-V194 HydrophobicContact SD-CG2 3.98Å; M155-L367 HydrophobicContact CB-CD2 4.22Å; M155-L367 HydrophobicContact CE-CD1 3.87Å; M155-L367 HydrophobicContact CE-CD2 3.89Å; M155-L367 HydrophobicContact CE-CG 4.45Å
156	H	95.1	Very high	95.1	Very high	56 Å²	56	45.4 Å²	45.4	26%	0.259	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-38.4	173.4	-89.5	-71.2	0	0	0	113.1	F66 Y93 C94 I152 A153 E154 I158 M181	F66-H156 PolarHBondContact O-ND1 2.8Å; Y93-H156 AromaticContact CD1-NE2 3.24Å; Y93-H156 WeakPolarHBondContact CD1-NE2 3.3Å; Y93-H156 AromaticContact CE1-NE2 3.87Å; Y93-H156 AromaticContact CG-NE2 3.97Å; C94-H156 PolarHBondContact SG-CE1 3.15Å; I152-H156 PolarHBondContact O-CD2 2.88Å; I152-H156 PolarHBondContact O-N 3.43Å; A153-H156 WeakPolarHBondContact O-CB 3.29Å; A153-H156 PolarHBondContact O-N 3.13Å; E154-H156 VanDerWaalsContact C-N 3.3Å; E154-H156 PolarHBondContact O-N 3.09Å; H156-I158 VanDerWaalsContact C-N 3.31Å; H156-I158 PolarHBondContact O-N 3.23Å; H156-M181 WeakPolarHBondContact NE2-CE 3.31Å
157	N	93.5	Very high	95.3	Very high	112 Å²	112	46.8 Å²	46.8	60%	0.599	24%	0.244	S	C	*	.	H	α-helix	trans	-62.8	-38.6	178.2	-66.9	-25.9	0	0	0	112	A153 E154 M155	A153-N157 VanDerWaalsContact O-CG 3.3Å; A153-N157 PolarHBondContact O-N 3.43Å; A153-N157 VanDerWaalsContact O-N 3.08Å; A153-N157 PolarHBondContact O-ND2 2.96Å; E154-N157 WeakPolarHBondContact O-CB 3.09Å; E154-N157 PolarHBondContact O-N 3.49Å; E154-N157 PolarHBondContact OE2-ND2 3.3Å; M155-N157 VanDerWaalsContact C-N 3.31Å; M155-N157 PolarHBondContact O-N 3.19Å
158	I	95.5	Very high	95.5	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-91.8	-20.9	-176.5	70	171.3	0	0	0	113.4	E154 M155 H156 K160 K161 Y162 L269 I271 L367	E154-I158 PolarHBondContact O-N 2.84Å; E154-I158 VanDerWaalsContact O-N 3.07Å; M155-I158 WeakPolarHBondContact O-CG1 3.43Å; M155-I158 PolarHBondContact O-N 3.19Å; H156-I158 VanDerWaalsContact C-N 3.31Å; H156-I158 PolarHBondContact O-N 3.23Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 2.77Å; I158-K160 VanDerWaalsContact O-N 3.11Å; I158-K161 PolarHBondContact O-N 2.97Å; I158-Y162 WeakPolarHBondContact O-CB 3.48Å; I158-Y162 PolarHBondContact O-N 3.38Å; I158-L269 HydrophobicContact CB-CD1 4.02Å; I158-L269 HydrophobicContact CG2-CD1 4Å; I158-I271 HydrophobicContact CD1-CD1 4.39Å; I158-I271 HydrophobicContact CG2-CD1 4.31Å; I158-L367 HydrophobicContact CD1-CD2 3.93Å
159	L	97.5	Very high	95.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-53.8	-40.9	-166.8	-173.2	62.1	0	0	0	113.7	F66 C94 V97 F98 L101 M155 H163	F66-L159 HydrophobicContact CD1-CB 4.33Å; F66-L159 HydrophobicContact CD1-CD2 4.06Å; F66-L159 HydrophobicContact CD1-CG 3.87Å; F66-L159 HydrophobicContact CE1-CG 4.23Å; C94-L159 HydrophobicContact CB-CD2 3.8Å; C94-L159 VanDerWaalsContact SG-CD2 3.52Å; V97-L159 HydrophobicContact CB-CD2 4.47Å; V97-L159 HydrophobicContact CG1-CD1 4.12Å; V97-L159 HydrophobicContact CG1-CD2 4.09Å; V97-L159 HydrophobicContact CG1-CG 4.04Å; F98-L159 HydrophobicContact CE1-CD1 4.43Å; F98-L159 HydrophobicContact CZ-CD1 4.16Å; L101-L159 HydrophobicContact CD1-CD1 4.3Å; M155-L159 WeakPolarHBondContact O-CA 3.5Å; M155-L159 VanDerWaalsContact O-CB 3.26Å; M155-L159 WeakPolarHBondContact O-CB 3.3Å; M155-L159 PolarHBondContact O-N 2.93Å; L159-H163 WeakPolarHBondContact O-CB 3.41Å; L159-H163 PolarHBondContact O-N 3.38Å
160	K	97.4	Very high	95.9	Very high	123 Å²	123	55.2 Å²	55.2	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-45.1	178.2	-174.4	177.5	178.7	-179.6	0	112.3	F66 I158 Q164	F66-K160 HydrophobicContact CD1-CB 4Å; F66-K160 HydrophobicContact CE1-CB 4.12Å; F66-K160 HydrophobicContact CE1-CG 4.43Å; F66-K160 HydrophobicContact CG-CB 4.4Å; F66-K160 HydrophobicContact CZ-CG 4.42Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 2.77Å; I158-K160 VanDerWaalsContact O-N 3.11Å; K160-Q164 PolarHBondContact O-N 3.3Å; K160-Q164 VanDerWaalsContact O-N 3.16Å
161	K	97.8	Very high	96	Very high	111 Å²	111	49.4 Å²	49.4	48%	0.483	25%	0.248	S	C	.	.	H	α-helix	trans	-71.6	-38	179	-66.3	-178.8	175.8	-178	0	111.2	I158 Q164 F165 F265 L269	I158-K161 PolarHBondContact O-N 2.97Å; K161-Q164 PolarHBondContact O-N 3.1Å; K161-F165 WeakPolarHBondContact O-CB 3.14Å; K161-F165 PolarHBondContact O-N 3.25Å; K161-F265 HydrophobicContact CB-CE2 4.23Å; K161-F265 HydrophobicContact CB-CZ 4.4Å; K161-L269 HydrophobicContact CB-CD2 4.03Å; K161-L269 HydrophobicContact CD-CD2 3.25Å; K161-L269 HydrophobicContact CG-CD2 4.29Å
162	Y	98.3	Very high	96.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-50.5	173.6	175	-94.9	0	0	0	111.1	L101 F105 I158 Q164 F165 I166 P176 Q177 F178	L101-Y162 HydrophobicContact CD1-CD1 4.3Å; L101-Y162 HydrophobicContact CD1-CE1 3.95Å; L101-Y162 HydrophobicContact CD2-CD1 4.25Å; L101-Y162 HydrophobicContact CD2-CE1 3.8Å; F105-Y162 WeakPolarHBondContact CZ-OH 3.37Å; I158-Y162 WeakPolarHBondContact O-CB 3.48Å; I158-Y162 PolarHBondContact O-N 3.38Å; Y162-Q164 VanDerWaalsContact C-N 3.35Å; Y162-Q164 PolarHBondContact O-N 2.9Å; Y162-F165 WeakPolarHBondContact O-CB 3.33Å; Y162-F165 PolarHBondContact O-N 3.17Å; Y162-F165 VanDerWaalsContact O-N 3.15Å; Y162-I166 HydrophobicContact CD1-CG1 4.15Å; Y162-I166 HydrophobicContact CD2-CG1 4.46Å; Y162-I166 HydrophobicContact CE1-CD1 4.44Å; Y162-I166 HydrophobicContact CE1-CG1 3.74Å; Y162-I166 HydrophobicContact CE2-CD1 4.03Å; Y162-I166 HydrophobicContact CE2-CG1 4.1Å; Y162-I166 HydrophobicContact CG-CG1 4.49Å; Y162-I166 WeakPolarHBondContact O-CG1 3.2Å; Y162-I166 PolarHBondContact O-N 3.34Å; Y162-P176 PolarHBondContact OH-O 2.92Å; Y162-Q177 WeakPolarHBondContact OH-CA 3.42Å; Y162-F178 HydrophobicContact CD1-CD2 4.25Å; Y162-F178 HydrophobicContact CD2-CD2 4.33Å; Y162-F178 HydrophobicContact CD2-CE2 4.34Å; Y162-F178 HydrophobicContact CE1-CB 4.43Å; Y162-F178 AromaticContact CE1-CD2 3.77Å; Y162-F178 HydrophobicContact CE1-CD2 3.77Å; Y162-F178 AromaticContact CE2-CD2 3.83Å; Y162-F178 HydrophobicContact CE2-CD2 3.83Å; Y162-F178 HydrophobicContact CE2-CE2 4.01Å; Y162-F178 AromaticContact CZ-CD2 3.52Å; Y162-F178 PolarHBondContact OH-N 3.03Å; Y162-F178 VanDerWaalsContact OH-N 3.14Å
163	H	98.4	Very high	96.4	Very high	23 Å²	23	50.5 Å²	50.5	11%	0.106	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-47.8	177.1	174.5	-91.5	0	0	0	112	L61 F66 N100 L159 F165 I166 V167	L61-H163 WeakPolarHBondContact CD1-NE2 3.29Å; F66-H163 HydrophobicContact CE1-CB 3.86Å; F66-H163 HydrophobicContact CZ-CB 4.09Å; N100-H163 PolarHBondContact OD1-NE2 3.28Å; L159-H163 WeakPolarHBondContact O-CB 3.41Å; L159-H163 PolarHBondContact O-N 3.38Å; H163-F165 VanDerWaalsContact C-N 3.33Å; H163-F165 PolarHBondContact O-N 2.86Å; H163-I166 PolarHBondContact O-N 3.38Å; H163-V167 VanDerWaalsContact CE1-CG2 3.48Å; H163-V167 WeakPolarHBondContact CE1-CG2 3.37Å; H163-V167 WeakPolarHBondContact O-CG2 3.26Å; H163-V167 PolarHBondContact O-N 3.45Å
164	Q	97.8	Very high	96.6	Very high	104 Å²	104	48.2 Å²	48.2	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-57.4	-45.7	176.1	-179.5	178.8	-9.7	0	0	111.9	K160 K161 Y162 I166 V167 E168	K160-Q164 PolarHBondContact O-N 3.3Å; K160-Q164 VanDerWaalsContact O-N 3.16Å; K161-Q164 PolarHBondContact O-N 3.1Å; Y162-Q164 VanDerWaalsContact C-N 3.35Å; Y162-Q164 PolarHBondContact O-N 2.9Å; Q164-I166 VanDerWaalsContact C-N 3.34Å; Q164-I166 PolarHBondContact O-N 2.81Å; Q164-V167 WeakPolarHBondContact O-CB 3.44Å; Q164-V167 PolarHBondContact O-N 2.94Å; Q164-V167 VanDerWaalsContact O-N 3.14Å; Q164-E168 VanDerWaalsContact CG-OE1 3.3Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.38Å; Q164-E168 PolarHBondContact NE2-OE1 2.9Å; Q164-E168 WeakPolarHBondContact O-CG 3.49Å; Q164-E168 PolarHBondContact O-N 3.28Å
165	F	98.4	Very high	96.9	Very high	15 Å²	15	46.8 Å²	46.8	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177	-179.5	-103.9	0	0	0	112.5	K161 Y162 H163 V167 E168 C169 L175 R261 D262 F265	K161-F165 WeakPolarHBondContact O-CB 3.14Å; K161-F165 PolarHBondContact O-N 3.25Å; Y162-F165 WeakPolarHBondContact O-CB 3.33Å; Y162-F165 PolarHBondContact O-N 3.17Å; Y162-F165 VanDerWaalsContact O-N 3.15Å; H163-F165 VanDerWaalsContact C-N 3.33Å; H163-F165 PolarHBondContact O-N 2.86Å; F165-V167 VanDerWaalsContact C-N 3.3Å; F165-V167 PolarHBondContact O-N 3.14Å; F165-E168 PolarHBondContact O-N 3.1Å; F165-C169 PolarHBondContact O-N 3.31Å; F165-C169 PolarHBondContact O-SG 3.13Å; F165-L175 HydrophobicContact CD1-CD1 3.97Å; F165-L175 HydrophobicContact CE1-CD1 3.55Å; F165-L175 HydrophobicContact CE1-CG 4.44Å; F165-L175 HydrophobicContact CZ-CD1 4.4Å; F165-R261 HydrophobicContact CE2-CG 3.94Å; F165-R261 HydrophobicContact CZ-CG 4.13Å; F165-D262 WeakPolarHBondContact CE1-OD1 3.36Å; F165-D262 WeakPolarHBondContact CZ-OD1 3.45Å; F165-F265 HydrophobicContact CB-CD2 4.01Å; F165-F265 HydrophobicContact CB-CE1 4.38Å; F165-F265 HydrophobicContact CB-CE2 3.67Å; F165-F265 HydrophobicContact CB-CG 4.49Å; F165-F265 HydrophobicContact CB-CZ 3.87Å; F165-F265 HydrophobicContact CD1-CD1 4.11Å; F165-F265 HydrophobicContact CD1-CE1 4.25Å; F165-F265 HydrophobicContact CD1-CG 4.29Å; F165-F265 HydrophobicContact CD2-CB 3.92Å; F165-F265 HydrophobicContact CD2-CD1 4.33Å; F165-F265 AromaticContact CD2-CD2 3.62Å; F165-F265 HydrophobicContact CD2-CD2 3.62Å; F165-F265 HydrophobicContact CD2-CE2 4.19Å; F165-F265 AromaticContact CD2-CG 3.69Å; F165-F265 HydrophobicContact CD2-CG 3.69Å; F165-F265 HydrophobicContact CE1-CD1 4.22Å; F165-F265 HydrophobicContact CE1-CG 4.38Å; F165-F265 HydrophobicContact CE2-CB 3.53Å; F165-F265 HydrophobicContact CE2-CD1 4.42Å; F165-F265 HydrophobicContact CE2-CD2 4.15Å; F165-F265 AromaticContact CE2-CG 3.79Å; F165-F265 HydrophobicContact CE2-CG 3.79Å; F165-F265 HydrophobicContact CG-CD1 4.13Å; F165-F265 AromaticContact CG-CD2 3.86Å; F165-F265 HydrophobicContact CG-CD2 3.86Å; F165-F265 HydrophobicContact CG-CE1 4.26Å; F165-F265 HydrophobicContact CG-CE2 4Å; F165-F265 AromaticContact CG-CG 3.92Å; F165-F265 HydrophobicContact CG-CG 3.92Å; F165-F265 HydrophobicContact CG-CZ 4.19Å; F165-F265 HydrophobicContact CZ-CB 3.84Å; F165-F265 HydrophobicContact CZ-CD1 4.32Å; F165-F265 HydrophobicContact CZ-CG 4.1Å
166	I	98.3	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-35.7	175.6	-63.6	-51.4	0	0	0	111.8	L101 R104 F105 Y162 H163 Q164 H170 G171 T173	L101-I166 HydrophobicContact CD2-CB 4.2Å; L101-I166 HydrophobicContact CD2-CG1 4.17Å; L101-I166 HydrophobicContact CD2-CG2 4.07Å; R104-I166 HydrophobicContact CB-CG2 4.03Å; F105-I166 HydrophobicContact CE1-CD1 3.87Å; F105-I166 HydrophobicContact CE1-CG1 4.29Å; F105-I166 HydrophobicContact CE1-CG2 3.72Å; F105-I166 HydrophobicContact CZ-CB 4.48Å; F105-I166 HydrophobicContact CZ-CD1 3.71Å; F105-I166 HydrophobicContact CZ-CG1 3.82Å; F105-I166 HydrophobicContact CZ-CG2 3.78Å; Y162-I166 HydrophobicContact CD1-CG1 4.15Å; Y162-I166 HydrophobicContact CD2-CG1 4.46Å; Y162-I166 HydrophobicContact CE1-CD1 4.44Å; Y162-I166 HydrophobicContact CE1-CG1 3.74Å; Y162-I166 HydrophobicContact CE2-CD1 4.03Å; Y162-I166 HydrophobicContact CE2-CG1 4.1Å; Y162-I166 HydrophobicContact CG-CG1 4.49Å; Y162-I166 WeakPolarHBondContact O-CG1 3.2Å; Y162-I166 PolarHBondContact O-N 3.34Å; H163-I166 PolarHBondContact O-N 3.38Å; Q164-I166 VanDerWaalsContact C-N 3.34Å; Q164-I166 PolarHBondContact O-N 2.81Å; I166-H170 PolarHBondContact O-N 3.48Å; I166-H170 VanDerWaalsContact O-N 3.09Å; I166-G171 PolarHBondContact O-N 2.87Å; I166-T173 HydrophobicContact CD1-CG2 3.68Å
167	V	96.9	Very high	97.1	Very high	48 Å²	48	45 Å²	45	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-49.2	174.2	178.8	0	0	0	0	110.8	H163 Q164 F165 H170	H163-V167 VanDerWaalsContact CE1-CG2 3.48Å; H163-V167 WeakPolarHBondContact CE1-CG2 3.37Å; H163-V167 WeakPolarHBondContact O-CG2 3.26Å; H163-V167 PolarHBondContact O-N 3.45Å; Q164-V167 WeakPolarHBondContact O-CB 3.44Å; Q164-V167 PolarHBondContact O-N 2.94Å; Q164-V167 VanDerWaalsContact O-N 3.14Å; F165-V167 VanDerWaalsContact C-N 3.3Å; F165-V167 PolarHBondContact O-N 3.14Å; V167-H170 PolarHBondContact O-N 2.64Å
168	E	97.1	Very high	97.4	Very high	119 Å²	119	40.1 Å²	40.1	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-66.9	-38.5	-176.7	-70.1	169.5	-173.3	0	0	112.3	Q164 F165 H170	Q164-E168 VanDerWaalsContact CG-OE1 3.3Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.38Å; Q164-E168 PolarHBondContact NE2-OE1 2.9Å; Q164-E168 WeakPolarHBondContact O-CG 3.49Å; Q164-E168 PolarHBondContact O-N 3.28Å; F165-E168 PolarHBondContact O-N 3.1Å; E168-H170 VanDerWaalsContact C-N 3.34Å; E168-H170 PolarHBondContact O-CE1 3.46Å; E168-H170 PolarHBondContact O-ND1 3.44Å; E168-H170 VanDerWaalsContact O-ND1 3.15Å
169	C	96.3	Very high	97.5	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.108	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.7	178	77.8	0	0	0	0	114.3	F165 G171 N172	F165-C169 PolarHBondContact O-N 3.31Å; F165-C169 PolarHBondContact O-SG 3.13Å; C169-G171 PolarHBondContact O-N 3.12Å; C169-N172 WeakPolarHBondContact O-CB 3.32Å; C169-N172 PolarHBondContact O-N 2.99Å
170	H	96.3	Very high	97.5	Very high	162 Å²	162	39.7 Å²	39.7	75%	0.75	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.1	-179.4	-52.5	77.2	0	0	0	113.1	I166 V167 E168 N172	I166-H170 PolarHBondContact O-N 3.48Å; I166-H170 VanDerWaalsContact O-N 3.09Å; V167-H170 PolarHBondContact O-N 2.64Å; E168-H170 VanDerWaalsContact C-N 3.34Å; E168-H170 PolarHBondContact O-CE1 3.46Å; E168-H170 PolarHBondContact O-ND1 3.44Å; E168-H170 VanDerWaalsContact O-ND1 3.15Å; H170-N172 PolarHBondContact O-N 2.94Å
171	G	94.8	Very high	97.6	Very high	9 Å²	9	33.9 Å²	33.9	9%	0.093	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-5.1	-177.9	0	0	0	0	0	115.7	I166 C169 T173	I166-G171 PolarHBondContact O-N 2.87Å; C169-G171 PolarHBondContact O-N 3.12Å; G171-T173 PolarHBondContact O-N 2.81Å
172	N	95.6	Very high	97.6	Very high	63 Å²	63	28.6 Å²	28.6	34%	0.337	14%	0.143	S	C	.	.			trans	-83.7	91.6	-179.1	-175.9	17.5	0	0	0	111.2	C169 H170 Y254 K258 R261	C169-N172 WeakPolarHBondContact O-CB 3.32Å; C169-N172 PolarHBondContact O-N 2.99Å; H170-N172 PolarHBondContact O-N 2.94Å; N172-Y254 PolarHBondContact ND2-OH 3.25Å; N172-Y254 PolarHBondContact OD1-OH 3.06Å; N172-K258 WeakPolarHBondContact OD1-CD 3.37Å; N172-R261 PolarHBondContact O-NH2 3.2Å
173	T	97.8	Very high	97.6	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.043	15%	0.15	C	C	.	.			trans	-150.8	153.8	-176.6	-176.6	0	0	0	0	111.4	I166 G171 L175 D262	I166-T173 HydrophobicContact CD1-CG2 3.68Å; G171-T173 PolarHBondContact O-N 2.81Å; T173-L175 VanDerWaalsContact C-N 3.32Å; T173-L175 HydrophobicContact CG2-CB 4.14Å; T173-L175 WeakPolarHBondContact OG1-CB 2.84Å; T173-L175 WeakPolarHBondContact OG1-CG 3.5Å; T173-L175 PolarHBondContact OG1-N 2.78Å; T173-L175 VanDerWaalsContact OG1-N 3.1Å; T173-D262 PolarHBondContact OG1-OD1 3.47Å; T173-D262 PolarHBondContact OG1-OD2 3.42Å
174	L	98.2	Very high	97.5	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	-84.1	-8.4	169.2	-58.2	177.3	0	0	0	112.1	F255 K258 L259 D262 A362 I363	L174-F255 HydrophobicContact CD1-CD2 4.03Å; L174-F255 HydrophobicContact CD1-CE1 4.34Å; L174-F255 HydrophobicContact CD1-CE2 3.48Å; L174-F255 VanDerWaalsContact CD1-CE2 3.48Å; L174-F255 HydrophobicContact CD1-CZ 3.67Å; L174-F255 HydrophobicContact CD2-CD2 4.17Å; L174-F255 HydrophobicContact CD2-CE2 3.77Å; L174-F255 HydrophobicContact CG-CE2 4.3Å; L174-K258 HydrophobicContact CG-CB 4.4Å; L174-L259 HydrophobicContact CD1-CB 3.96Å; L174-L259 HydrophobicContact CD1-CD1 3.85Å; L174-D262 WeakPolarHBondContact CB-OD2 3.39Å; L174-D262 PolarHBondContact N-OD2 3Å; L174-A362 CarbonylContact O-C 3.6Å; L174-I363 HydrophobicContact CB-CD1 4.39Å; L174-I363 HydrophobicContact CB-CG1 4.16Å; L174-I363 PolarHBondContact O-N 3.36Å
175	L	98.3	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-65	157.9	176.8	-62.2	179.9	0	0	0	111.5	F165 T173 Q177 D262 F265 L266 Y345 I363 I366	F165-L175 HydrophobicContact CD1-CD1 3.97Å; F165-L175 HydrophobicContact CE1-CD1 3.55Å; F165-L175 HydrophobicContact CE1-CG 4.44Å; F165-L175 HydrophobicContact CZ-CD1 4.4Å; T173-L175 VanDerWaalsContact C-N 3.32Å; T173-L175 HydrophobicContact CG2-CB 4.14Å; T173-L175 WeakPolarHBondContact OG1-CB 2.84Å; T173-L175 WeakPolarHBondContact OG1-CG 3.5Å; T173-L175 PolarHBondContact OG1-N 2.78Å; T173-L175 VanDerWaalsContact OG1-N 3.1Å; L175-Q177 PolarHBondContact O-N 3.41Å; L175-D262 HydrophobicContact CD2-CB 4.18Å; L175-D262 HydrophobicContact CG-CB 4.12Å; L175-F265 HydrophobicContact CD1-CD1 3.71Å; L175-F265 HydrophobicContact CD1-CE1 3.94Å; L175-L266 HydrophobicContact CD2-CD1 3.74Å; L175-L266 HydrophobicContact CD2-CD2 3.93Å; L175-L266 HydrophobicContact CD2-CG 3.9Å; L175-Y345 PolarHBondContact O-OH 3.12Å; L175-I363 HydrophobicContact CD2-CB 4.31Å; L175-I363 HydrophobicContact CD2-CD1 4.02Å; L175-I363 HydrophobicContact CD2-CG2 4.36Å; L175-I366 HydrophobicContact CD2-CD1 4.48Å; L175-I366 HydrophobicContact CD2-CG2 4.33Å
176	P	97.6	Very high	97.1	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.071	13%	0.125	C	C	.	.			trans	-57.7	127.9	171.8	-23	34.8	0	0	0	110.2	Y162 F178 T196 I363 I366	Y162-P176 PolarHBondContact OH-O 2.92Å; P176-F178 HydrophobicContact CB-CD1 4.46Å; P176-F178 HydrophobicContact CB-CE1 3.95Å; P176-F178 HydrophobicContact CB-CZ 4.03Å; P176-F178 HydrophobicContact CG-CZ 4.43Å; P176-F178 PolarHBondContact O-N 2.81Å; P176-T196 HydrophobicContact CB-CG2 4.18Å; P176-I363 WeakPolarHBondContact CD-O 3.03Å; P176-I363 VanDerWaalsContact CG-O 3.31Å; P176-I363 WeakPolarHBondContact CG-O 3.36Å; P176-I366 HydrophobicContact CG-CD1 4.25Å; P176-I366 HydrophobicContact CG-CG1 4.1Å; P176-I366 HydrophobicContact CG-CG2 4.5Å
177	Q	97.9	Very high	96.6	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.033	16%	0.159	C	C	.	.			trans	-81	99.3	172.8	-67.7	-175.5	-0.6	0	0	108.9	F105 Y162 L175 L179 T196 R197 Y345	F105-Q177 HydrophobicContact CD1-CB 4.18Å; F105-Q177 HydrophobicContact CD1-CG 3.61Å; F105-Q177 HydrophobicContact CD2-CB 3.77Å; F105-Q177 HydrophobicContact CD2-CG 4.15Å; F105-Q177 HydrophobicContact CE1-CB 4.11Å; F105-Q177 HydrophobicContact CE1-CG 3.5Å; F105-Q177 HydrophobicContact CE2-CB 3.68Å; F105-Q177 HydrophobicContact CE2-CG 4.04Å; F105-Q177 HydrophobicContact CG-CB 4.02Å; F105-Q177 HydrophobicContact CG-CG 3.95Å; F105-Q177 HydrophobicContact CZ-CB 3.86Å; F105-Q177 HydrophobicContact CZ-CG 3.72Å; Y162-Q177 WeakPolarHBondContact OH-CA 3.42Å; L175-Q177 PolarHBondContact O-N 3.41Å; Q177-L179 HydrophobicContact CB-CD2 4.46Å; Q177-L179 WeakPolarHBondContact O-CG 3.47Å; Q177-T196 WeakPolarHBondContact O-CA 3.39Å; Q177-T196 WeakPolarHBondContact O-CB 3.46Å; Q177-R197 HydrophobicContact CB-CB 4.07Å; Q177-R197 PolarHBondContact O-N 3.33Å; Q177-Y345 WeakPolarHBondContact CG-OH 3.37Å
178	F	98.3	Very high	96.2	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.044	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.6	-179.6	-58.8	-63.7	0	0	0	111.1	F98 M155 Y162 P176 V194 T196 I366 L367	F98-F178 HydrophobicContact CE1-CB 3.89Å; M155-F178 HydrophobicContact CE-CD1 3.53Å; M155-F178 HydrophobicContact CE-CD2 4.14Å; M155-F178 HydrophobicContact CE-CE1 3.32Å; M155-F178 HydrophobicContact CE-CE2 3.94Å; M155-F178 HydrophobicContact CE-CG 3.96Å; M155-F178 HydrophobicContact CE-CZ 3.54Å; Y162-F178 HydrophobicContact CD1-CD2 4.25Å; Y162-F178 HydrophobicContact CD2-CD2 4.33Å; Y162-F178 HydrophobicContact CD2-CE2 4.34Å; Y162-F178 HydrophobicContact CE1-CB 4.43Å; Y162-F178 AromaticContact CE1-CD2 3.77Å; Y162-F178 HydrophobicContact CE1-CD2 3.77Å; Y162-F178 AromaticContact CE2-CD2 3.83Å; Y162-F178 HydrophobicContact CE2-CD2 3.83Å; Y162-F178 HydrophobicContact CE2-CE2 4.01Å; Y162-F178 AromaticContact CZ-CD2 3.52Å; Y162-F178 PolarHBondContact OH-N 3.03Å; Y162-F178 VanDerWaalsContact OH-N 3.14Å; P176-F178 HydrophobicContact CB-CD1 4.46Å; P176-F178 HydrophobicContact CB-CE1 3.95Å; P176-F178 HydrophobicContact CB-CZ 4.03Å; P176-F178 HydrophobicContact CG-CZ 4.43Å; P176-F178 PolarHBondContact O-N 2.81Å; F178-V194 HydrophobicContact CD1-CG1 3.6Å; F178-V194 HydrophobicContact CE1-CG1 4.04Å; F178-T196 HydrophobicContact CD1-CG2 3.58Å; F178-T196 HydrophobicContact CE1-CG2 3.93Å; F178-I366 HydrophobicContact CE2-CD1 3.84Å; F178-I366 HydrophobicContact CE2-CG1 4.4Å; F178-I366 HydrophobicContact CZ-CD1 3.86Å; F178-I366 HydrophobicContact CZ-CG1 3.93Å; F178-L367 HydrophobicContact CZ-CD2 4.46Å
179	L	98.4	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-18.9	-169.8	-52.2	178.8	0	0	0	113.5	R102 F105 I107 Y112 F142 Q177 V195	R102-L179 HydrophobicContact CG-CB 4.07Å; R102-L179 HydrophobicContact CG-CD2 4.06Å; F105-L179 HydrophobicContact CD2-CD2 3.76Å; F105-L179 HydrophobicContact CE2-CD2 4.47Å; I107-L179 HydrophobicContact CD1-CD1 3.64Å; I107-L179 HydrophobicContact CD1-CD2 3.38Å; I107-L179 HydrophobicContact CD1-CG 4.15Å; Y112-L179 HydrophobicContact CD2-CB 4.39Å; Y112-L179 HydrophobicContact CD2-CD1 4.34Å; Y112-L179 HydrophobicContact CE2-CB 3.7Å; Y112-L179 HydrophobicContact CE2-CD1 4.12Å; F142-L179 HydrophobicContact CD1-CD1 3.27Å; F142-L179 HydrophobicContact CE1-CD1 3.3Å; F142-L179 HydrophobicContact CG-CD1 4.33Å; F142-L179 HydrophobicContact CZ-CD1 4.36Å; Q177-L179 HydrophobicContact CB-CD2 4.46Å; Q177-L179 WeakPolarHBondContact O-CG 3.47Å; L179-V195 HydrophobicContact CB-CG1 4.38Å; L179-V195 PolarHBondContact N-O 3.07Å
180	G	98.1	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	150.4	177.9	0	0	0	0	0	111.6	V194 V195	G180-V194 WeakPolarHBondContact O-CA 3.34Å; G180-V195 PolarHBondContact O-N 2.97Å
181	M	98.1	Very high	95.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.6	178.7	-177.8	168.4	71.6	0	0	109.3	Y93 F98 I152 M155 H156 V194	Y93-M181 HydrophobicContact CD1-CE 4.22Å; Y93-M181 HydrophobicContact CD2-CE 4.29Å; Y93-M181 HydrophobicContact CD2-CG 4Å; Y93-M181 WeakPolarHBondContact CD2-O 3.46Å; Y93-M181 HydrophobicContact CG-CE 3.73Å; Y93-M181 HydrophobicContact CG-CG 4.35Å; Y93-M181 PolarHBondContact N-O 2.85Å; F98-M181 HydrophobicContact CD2-CB 4.46Å; F98-M181 HydrophobicContact CE1-CB 4.5Å; F98-M181 HydrophobicContact CE2-CB 3.55Å; F98-M181 HydrophobicContact CE2-CE 4.38Å; F98-M181 HydrophobicContact CZ-CB 3.57Å; I152-M181 HydrophobicContact CD1-CG 3.45Å; I152-M181 VanDerWaalsContact CD1-CG 3.45Å; I152-M181 HydrophobicContact CD1-SD 3.45Å; I152-M181 WeakPolarHBondContact CD1-SD 3.37Å; I152-M181 HydrophobicContact CG2-CE 4.34Å; I152-M181 HydrophobicContact CG2-SD 4.02Å; M155-M181 HydrophobicContact CB-SD 4.02Å; M155-M181 HydrophobicContact CG-SD 3.81Å; M155-M181 HydrophobicContact SD-CB 4.47Å; M155-M181 HydrophobicContact SD-CG 4.35Å; M155-M181 HydrophobicContact SD-SD 3.44Å; H156-M181 WeakPolarHBondContact NE2-CE 3.31Å; M181-V194 HydrophobicContact CG-CG2 4.25Å
182	Y	98.2	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150	-168.8	-48.8	-67.9	0	0	0	112	L41 V45 F90 K91 E92 Y112 Y192 M193 V195	L41-Y182 HydrophobicContact CD1-CD2 4.25Å; V45-Y182 HydrophobicContact CG2-CE2 4.12Å; F90-Y182 AromaticContact CE1-CD1 3.87Å; F90-Y182 HydrophobicContact CE1-CD1 3.87Å; F90-Y182 HydrophobicContact CE1-CE1 4.34Å; F90-Y182 HydrophobicContact CE2-CD1 4.27Å; F90-Y182 HydrophobicContact CE2-CG 4.32Å; F90-Y182 AromaticContact CZ-CD1 3.36Å; F90-Y182 HydrophobicContact CZ-CD1 3.36Å; F90-Y182 AromaticContact CZ-CE1 3.91Å; F90-Y182 HydrophobicContact CZ-CE1 3.91Å; F90-Y182 AromaticContact CZ-CG 3.82Å; F90-Y182 HydrophobicContact CZ-CG 3.82Å; K91-Y182 CarbonylContact O-C 3.55Å; K91-Y182 VanDerWaalsContact O-CA 3.26Å; K91-Y182 WeakPolarHBondContact O-CA 3.25Å; E92-Y182 HydrophobicContact CB-CD1 4.05Å; E92-Y182 HydrophobicContact CB-CE1 4.22Å; E92-Y182 HydrophobicContact CG-CD1 4.01Å; E92-Y182 HydrophobicContact CG-CE1 3.79Å; Y112-Y182 PolarHBondContact OH-OH 3.29Å; Y182-Y192 WeakPolarHBondContact O-CA 3.37Å; Y182-M193 PolarHBondContact N-O 2.84Å; Y182-M193 PolarHBondContact O-N 2.71Å; Y182-V195 HydrophobicContact CD2-CG2 4.16Å; Y182-V195 HydrophobicContact CE2-CG2 3.64Å
183	R	98	Very high	96	Very high	36 Å²	36	26.3 Å²	26.3	14%	0.136	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124	163.4	177.2	-174.6	71.6	167.3	-2	109.6	K91 Y93 E190 T191 Y192	K91-R183 HydrophobicContact CB-CB 4.26Å; K91-R183 PolarHBondContact N-O 3.41Å; K91-R183 PolarHBondContact O-N 2.98Å; Y93-R183 HydrophobicContact CE2-CB 3.66Å; R183-E190 IonicContact CZ-OE1 3.1Å; R183-E190 IonicContact NH1-OE1 3.89Å; R183-E190 PolarHBondContact NH1-OE1 2.62Å; R183-E190 IonicContact NH1-OE2 3.4Å; R183-E190 PolarHBondContact NH1-OE2 3.41Å; R183-T191 WeakPolarHBondContact CA-O 3.48Å; R183-Y192 HydrophobicContact CB-CD1 3.82Å; R183-Y192 HydrophobicContact CB-CE1 3.96Å; R183-Y192 HydrophobicContact CG-CD1 3.89Å; R183-Y192 HydrophobicContact CG-CE1 3.7Å
184	L	96.5	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.3	176.7	-68.6	74.5	0	0	0	108.5	I37 V40 L41 K89 F90 E190 T191 M193	I37-L184 HydrophobicContact CD1-CB 3.52Å; I37-L184 HydrophobicContact CD1-CD2 3.62Å; I37-L184 HydrophobicContact CD1-CG 4.22Å; I37-L184 HydrophobicContact CG1-CD2 3.98Å; I37-L184 WeakPolarHBondContact O-CD2 3.34Å; V40-L184 HydrophobicContact CB-CD2 4.19Å; V40-L184 HydrophobicContact CG1-CB 4.46Å; V40-L184 HydrophobicContact CG1-CD2 3.9Å; V40-L184 HydrophobicContact CG1-CG 4.17Å; L41-L184 HydrophobicContact CB-CD2 3.81Å; L41-L184 HydrophobicContact CD1-CD1 4.35Å; L41-L184 HydrophobicContact CD1-CD2 4.46Å; K89-L184 CarbonylContact O-C 3.54Å; K89-L184 WeakPolarHBondContact O-CA 3.37Å; F90-L184 HydrophobicContact CD2-CD1 4.27Å; F90-L184 HydrophobicContact CD2-CG 3.96Å; F90-L184 HydrophobicContact CE2-CD1 4.05Å; F90-L184 HydrophobicContact CE2-CG 4.19Å; L184-E190 CarbonylContact O-C 3.51Å; L184-E190 WeakPolarHBondContact O-CA 3.49Å; L184-T191 PolarHBondContact N-O 3.04Å; L184-T191 PolarHBondContact O-N 3.43Å; L184-M193 HydrophobicContact CD1-CG 4.45Å; L184-M193 HydrophobicContact CD1-SD 4.06Å; L184-M193 HydrophobicContact CD2-SD 4.36Å
185	T	95.7	Very high	95.9	Very high	11 Å²	11	26 Å²	26	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.4	170	-46.7	0	0	0	0	108.9	F88 K89 V189 E190	F88-T185 CarbonylContact C-O 3.5Å; F88-T185 WeakPolarHBondContact CA-O 3.28Å; F88-T185 WeakPolarHBondContact CB-O 3.35Å; K89-T185 HydrophobicContact CD-CG2 4.5Å; K89-T185 PolarHBondContact N-O 3.47Å; K89-T185 PolarHBondContact O-N 2.83Å; T185-V189 VanDerWaalsContact CA-O 3.28Å; T185-V189 WeakPolarHBondContact CA-O 3.44Å; T185-E190 HydrophobicContact CG2-CG 4.11Å
186	V	92.3	Very high	95.9	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.073	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.7	178.4	-175.2	0	0	0	0	107.8	P36 I37 V40 P85 F88 G188 V189	P36-V186 HydrophobicContact CB-CG1 4Å; I37-V186 HydrophobicContact CD1-CB 4.37Å; I37-V186 HydrophobicContact CD1-CG2 3.66Å; V40-V186 HydrophobicContact CB-CG2 4.12Å; V40-V186 HydrophobicContact CG1-CG2 4.29Å; V40-V186 HydrophobicContact CG2-CG2 3.8Å; P85-V186 HydrophobicContact CB-CG1 4.23Å; P85-V186 HydrophobicContact CG-CG1 3.92Å; F88-V186 HydrophobicContact CB-CG2 4.28Å; V186-G188 PolarHBondContact O-N 2.85Å; V186-V189 PolarHBondContact N-O 3.18Å; V186-V189 VanDerWaalsContact N-O 3.08Å; V186-V189 PolarHBondContact O-N 2.94Å
187	D	88.1	Confident	95.8	Very high	133 Å²	133	26.5 Å²	26.5	71%	0.711	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	33.6	-179.3	-56.9	-35.9	0	0	0	114.4	V189	D187-V189 VanDerWaalsContact C-N 3.29Å; D187-V189 PolarHBondContact O-N 2.8Å
188	G	87.9	Confident	95.7	Very high	69 Å²	69	27.3 Å²	27.3	71%	0.711	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-7.4	-179.9	0	0	0	0	0	115.2	V186	V186-G188 PolarHBondContact O-N 2.85Å
189	V	92.6	Very high	95.6	Very high	96 Å²	96	27.7 Å²	27.7	58%	0.582	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.7	176.6	-177.4	0	0	0	0	109.7	T185 V186 D187	T185-V189 VanDerWaalsContact CA-O 3.28Å; T185-V189 WeakPolarHBondContact CA-O 3.44Å; V186-V189 PolarHBondContact N-O 3.18Å; V186-V189 VanDerWaalsContact N-O 3.08Å; V186-V189 PolarHBondContact O-N 2.94Å; D187-V189 VanDerWaalsContact C-N 3.29Å; D187-V189 PolarHBondContact O-N 2.8Å
190	E	95.1	Very high	95.4	Very high	87 Å²	87	29.5 Å²	29.5	41%	0.407	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.8	172.7	-61	-165	158.5	0	0	110.6	R183 L184 T185 Y192	R183-E190 IonicContact CZ-OE1 3.1Å; R183-E190 IonicContact NH1-OE1 3.89Å; R183-E190 PolarHBondContact NH1-OE1 2.62Å; R183-E190 IonicContact NH1-OE2 3.4Å; R183-E190 PolarHBondContact NH1-OE2 3.41Å; L184-E190 CarbonylContact O-C 3.51Å; L184-E190 WeakPolarHBondContact O-CA 3.49Å; T185-E190 HydrophobicContact CG2-CG 4.11Å; E190-Y192 HydrophobicContact CB-CE2 4.33Å; E190-Y192 PolarHBondContact OE2-OH 2.69Å
191	T	95	Very high	95.1	Very high	29 Å²	29	30 Å²	30	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.1	176.1	-55.3	0	0	0	0	109.1	T146 R183 L184 M193	T146-T191 HydrophobicContact CG2-CG2 3.77Å; R183-T191 WeakPolarHBondContact CA-O 3.48Å; L184-T191 PolarHBondContact N-O 3.04Å; L184-T191 PolarHBondContact O-N 3.43Å; T191-M193 HydrophobicContact CG2-CE 3.89Å; T191-M193 HydrophobicContact CG2-CG 4.37Å
192	Y	96.3	Very high	94.6	Very high	36 Å²	36	33.1 Å²	33.1	14%	0.141	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.4	-179.6	-57.5	-94.7	0	0	0	109.3	T146 V147 I152 Y182 R183 E190	T146-Y192 WeakPolarHBondContact CA-O 3.17Å; V147-Y192 PolarHBondContact N-O 2.66Å; I152-Y192 HydrophobicContact CB-CD1 4.43Å; I152-Y192 HydrophobicContact CD1-CD1 4.34Å; I152-Y192 HydrophobicContact CG1-CD1 3.67Å; I152-Y192 HydrophobicContact CG1-CG 3.93Å; Y182-Y192 WeakPolarHBondContact O-CA 3.37Å; R183-Y192 HydrophobicContact CB-CD1 3.82Å; R183-Y192 HydrophobicContact CB-CE1 3.96Å; R183-Y192 HydrophobicContact CG-CD1 3.89Å; R183-Y192 HydrophobicContact CG-CE1 3.7Å; E190-Y192 HydrophobicContact CB-CE2 4.33Å; E190-Y192 PolarHBondContact OE2-OH 2.69Å
193	M	96.6	Very high	94.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.9	-175.5	-68	-179.2	175.8	0	0	110.5	I37 L41 L135 I144 K145 Y182 L184 T191	I37-M193 HydrophobicContact CG1-CE 3.84Å; L41-M193 HydrophobicContact CD1-SD 4.04Å; L41-M193 HydrophobicContact CD2-SD 3.95Å; L41-M193 HydrophobicContact CG-SD 4.45Å; L135-M193 HydrophobicContact CD1-CE 4.49Å; I144-M193 HydrophobicContact CG2-CB 3.9Å; I144-M193 HydrophobicContact CG2-CG 4.14Å; I144-M193 HydrophobicContact CG2-SD 3.97Å; K145-M193 VanDerWaalsContact O-CA 3.31Å; K145-M193 WeakPolarHBondContact O-CA 3.21Å; Y182-M193 PolarHBondContact N-O 2.84Å; Y182-M193 PolarHBondContact O-N 2.71Å; L184-M193 HydrophobicContact CD1-CG 4.45Å; L184-M193 HydrophobicContact CD1-SD 4.06Å; L184-M193 HydrophobicContact CD2-SD 4.36Å; T191-M193 HydrophobicContact CG2-CE 3.89Å; T191-M193 HydrophobicContact CG2-CG 4.37Å
194	V	97.2	Very high	94	Very high	4 Å²	4	38 Å²	38	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.4	172.4	171.8	0	0	0	0	108.1	I144 K145 V147 I152 M155 F178 G180 M181 T196	I144-V194 WeakPolarHBondContact CA-O 3.31Å; K145-V194 PolarHBondContact N-O 3.27Å; K145-V194 PolarHBondContact O-N 2.85Å; V147-V194 HydrophobicContact CG1-CB 4.46Å; V147-V194 HydrophobicContact CG1-CG2 4.23Å; V147-V194 HydrophobicContact CG2-CG2 3.91Å; I152-V194 HydrophobicContact CD1-CG2 4.16Å; M155-V194 HydrophobicContact CE-CG1 3.89Å; M155-V194 HydrophobicContact CE-CG2 3.98Å; M155-V194 HydrophobicContact SD-CG1 4.33Å; M155-V194 HydrophobicContact SD-CG2 3.98Å; F178-V194 HydrophobicContact CD1-CG1 3.6Å; F178-V194 HydrophobicContact CE1-CG1 4.04Å; G180-V194 WeakPolarHBondContact O-CA 3.34Å; M181-V194 HydrophobicContact CG-CG2 4.25Å; V194-T196 HydrophobicContact CG1-CG2 4.17Å
195	V	97.9	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	175.5	-174.9	0	0	0	0	109.8	Y112 L116 F142 V143 I144 L179 G180 Y182	Y112-V195 HydrophobicContact CE2-CB 4.45Å; Y112-V195 HydrophobicContact CE2-CG1 3.79Å; Y112-V195 WeakPolarHBondContact OH-CB 3.41Å; L116-V195 HydrophobicContact CD1-CG1 4.31Å; L116-V195 HydrophobicContact CD1-CG2 4.45Å; L116-V195 HydrophobicContact CD2-CG1 4.48Å; F142-V195 HydrophobicContact CB-CG1 4.05Å; V143-V195 CarbonylContact O-C 3.55Å; V143-V195 WeakPolarHBondContact O-CA 3.28Å; I144-V195 HydrophobicContact CB-CG2 4.44Å; I144-V195 HydrophobicContact CG1-CG2 3.89Å; I144-V195 HydrophobicContact CG2-CG2 4.27Å; L179-V195 HydrophobicContact CB-CG1 4.38Å; L179-V195 PolarHBondContact N-O 3.07Å; G180-V195 PolarHBondContact O-N 2.97Å; Y182-V195 HydrophobicContact CD2-CG2 4.16Å; Y182-V195 HydrophobicContact CE2-CG2 3.64Å
196	T	97.4	Very high	93.7	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160.7	173.8	65	0	0	0	0	111.3	F142 V143 P176 Q177 F178 V194	F142-T196 CarbonylContact C-O 3.59Å; F142-T196 WeakPolarHBondContact CA-O 3.39Å; V143-T196 PolarHBondContact N-O 3.01Å; V143-T196 PolarHBondContact O-N 2.94Å; P176-T196 HydrophobicContact CB-CG2 4.18Å; Q177-T196 WeakPolarHBondContact O-CA 3.39Å; Q177-T196 WeakPolarHBondContact O-CB 3.46Å; F178-T196 HydrophobicContact CD1-CG2 3.58Å; F178-T196 HydrophobicContact CE1-CG2 3.93Å; V194-T196 HydrophobicContact CG1-CG2 4.17Å
197	R	96.8	Very high	93.8	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	144.1	162.1	-167.8	-178	-74.5	-102.5	3.7	109.7	F105 Q177 V342	F105-R197 PolarHBondContact O-NH2 2.86Å; Q177-R197 HydrophobicContact CB-CB 4.07Å; Q177-R197 PolarHBondContact O-N 3.33Å; R197-V342 PolarHBondContact NH1-O 2.99Å
198	N	94.9	Very high	94.1	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	22%	0.217	C	C	.	.			trans	-68.8	140.7	169.7	-165.1	-3.9	0	0	0	109.9	H140 R141 V143 F200	H140-N198 VanDerWaalsContact O-CB 3.28Å; H140-N198 WeakPolarHBondContact O-CB 3.19Å; H140-N198 PolarHBondContact O-ND2 2.89Å; R141-N198 WeakPolarHBondContact O-CB 3.25Å; R141-N198 PolarHBondContact O-N 2.86Å; V143-N198 HydrophobicContact CG2-CB 3.94Å; N198-F200 PolarHBondContact OD1-N 2.83Å
199	V	95.9	Very high	94.4	Very high	17 Å²	17	39.2 Å²	39.2	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-75.2	-36.9	175.8	176.1	0	0	0	0	110.2	L277 Y345 F360 A362 I364	V199-L277 HydrophobicContact CB-CD2 4.09Å; V199-L277 HydrophobicContact CG1-CD2 4.25Å; V199-L277 HydrophobicContact CG2-CD2 4.17Å; V199-Y345 HydrophobicContact CB-CD2 4.44Å; V199-Y345 HydrophobicContact CG1-CD2 4.45Å; V199-Y345 HydrophobicContact CG2-CE2 4.48Å; V199-F360 HydrophobicContact CG1-CB 4.48Å; V199-A362 HydrophobicContact CB-CB 4.18Å; V199-A362 HydrophobicContact CG1-CB 3.56Å; V199-A362 HydrophobicContact CG2-CB 3.57Å; V199-I364 HydrophobicContact CG2-CG2 4.37Å
200	F	95.3	Very high	94.5	Very high	38 Å²	38	34.7 Å²	34.7	17%	0.167	16%	0.163	C	C	.	.	S	Bend	trans	-86.8	154.7	-179.3	-53.4	-36.3	0	0	0	111.1	N198 V206 K209 L277 F360	N198-F200 PolarHBondContact OD1-N 2.83Å; F200-V206 HydrophobicContact CB-CG2 3.84Å; F200-V206 HydrophobicContact CD1-CG2 3.95Å; F200-V206 HydrophobicContact CD2-CG2 4.22Å; F200-V206 HydrophobicContact CG-CG2 3.74Å; F200-K209 HydrophobicContact CE2-CD 3.85Å; F200-K209 HydrophobicContact CE2-CG 4.43Å; F200-K209 HydrophobicContact CZ-CD 3.8Å; F200-K209 HydrophobicContact CZ-CG 3.89Å; F200-L277 HydrophobicContact CE1-CD2 3.99Å; F200-L277 HydrophobicContact CE1-CG 3.96Å; F200-L277 HydrophobicContact CE2-CD2 4.21Å; F200-L277 HydrophobicContact CZ-CD1 3.93Å; F200-L277 HydrophobicContact CZ-CD2 3.59Å; F200-L277 HydrophobicContact CZ-CG 3.69Å; F200-F360 HydrophobicContact CD1-CB 3.8Å; F200-F360 HydrophobicContact CD1-CG 4.37Å; F200-F360 HydrophobicContact CE1-CB 4.42Å
201	S	91.8	Very high	94.5	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	15%	0.15	C	C	.	.			trans	-58.9	149.3	176.3	-179	0	0	0	0	111.5	R203 L204 D343 F360	S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact OG-N 3.2Å; S201-L204 PolarHBondContact OG-N 2.92Å; S201-D343 WeakPolarHBondContact CA-OD1 3.49Å; S201-D343 VanDerWaalsContact CB-OD2 3.23Å; S201-D343 WeakPolarHBondContact CB-OD2 3.17Å; S201-D343 PolarHBondContact OG-OD1 3.21Å; S201-D343 PolarHBondContact OG-OD2 3.4Å; S201-F360 VanDerWaalsContact CB-CZ 3.4Å
202	H	88.1	Confident	94.5	Very high	66 Å²	66	30.3 Å²	30.3	31%	0.306	14%	0.141	S	C	.	.	S	Bend	trans	-78.7	-10.9	169	73.1	100.3	0	0	0	113.5	D139 H140 R141 V342 D343	D139-H202 VanDerWaalsContact O-CB 3.3Å; D139-H202 WeakPolarHBondContact O-CB 3.4Å; H140-H202 HydrophobicContact CB-CB 4.15Å; R141-H202 HydrophobicContact CG-CB 4.17Å; H202-V342 VanDerWaalsContact CD2-CG1 3.45Å; H202-V342 WeakPolarHBondContact CD2-CG1 3.31Å; H202-D343 IonicContact CD2-OD1 3.17Å
203	R	90.6	Very high	94.3	Very high	122 Å²	122	30.2 Å²	30.2	46%	0.46	14%	0.142	S	C	.	.	S	Bend	trans	-118.4	-46.1	-179.4	-69.2	178.7	65.8	-121.6	-2.2	113.1	S201 T205 F333	S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact OG-N 3.2Å; R203-T205 PolarHBondContact O-N 3.34Å; R203-F333 VanDerWaalsContact NH1-CB 3.29Å
204	L	92.1	Very high	94	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.089	14%	0.142	C	C	.	.	S	Bend	trans	-81.6	117.1	-173	-57.3	-176.5	0	0	0	110.9	S201 V206 H281 F338 V358 F360	S201-L204 PolarHBondContact OG-N 2.92Å; L204-V206 PolarHBondContact O-N 3.18Å; L204-H281 HydrophobicContact CB-CB 4.41Å; L204-F338 HydrophobicContact CD1-CB 4.03Å; L204-F338 HydrophobicContact CD1-CD1 4.1Å; L204-V358 HydrophobicContact CD1-CB 4.34Å; L204-V358 HydrophobicContact CD1-CG1 4.26Å; L204-V358 HydrophobicContact CD1-CG2 4.18Å; L204-F360 HydrophobicContact CB-CE2 4.39Å; L204-F360 HydrophobicContact CB-CZ 4.03Å; L204-F360 HydrophobicContact CD1-CZ 4.07Å
205	T	92	Very high	93.4	Very high	81 Å²	81	30 Å²	30	50%	0.497	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-64.3	130.2	179.7	-57.2	0	0	0	0	111.4	R203 H281	R203-T205 PolarHBondContact O-N 3.34Å; T205-H281 WeakPolarHBondContact O-CB 3.23Å; T205-H281 PolarHBondContact O-ND1 3.33Å
206	V	94	Very high	92.5	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.097	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-87	119	175.9	175.8	0	0	0	0	109.5	F200 L204 R208 L230 F360	F200-V206 HydrophobicContact CB-CG2 3.84Å; F200-V206 HydrophobicContact CD1-CG2 3.95Å; F200-V206 HydrophobicContact CD2-CG2 4.22Å; F200-V206 HydrophobicContact CG-CG2 3.74Å; L204-V206 PolarHBondContact O-N 3.18Å; V206-R208 WeakPolarHBondContact CG1-O 3.42Å; V206-L230 HydrophobicContact CG1-CD2 4.49Å; V206-L230 WeakPolarHBondContact O-CD1 3.35Å; V206-F360 HydrophobicContact CG2-CD2 4.26Å
207	H	94.1	Very high	91.7	Very high	22 Å²	22	34.2 Å²	34.2	10%	0.102	17%	0.166	C	C	.	.			trans	-95.1	-23.2	-179.2	-53.1	130.7	0	0	0	113.1	L230 I280 H281 D282 E289	H207-L230 WeakPolarHBondContact O-CD1 3.28Å; H207-I280 PolarHBondContact N-O 2.64Å; H207-H281 AromaticContact CE1-ND1 3.72Å; H207-D282 PolarHBondContact CE1-O 2.76Å; H207-D282 WeakPolarHBondContact ND1-CB 3.36Å; H207-D282 PolarHBondContact ND1-N 2.86Å; H207-D282 PolarHBondContact ND1-O 3.15Å; H207-E289 IonicContact NE2-OE2 2.71Å
208	R	93.9	Very high	90.8	Very high	98 Å²	98	37.8 Å²	37.8	37%	0.37	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.1	174.5	-59.5	-177.5	-174.3	-118.5	-3.5	111.4	V206 Y210 E241 G279 I280	V206-R208 WeakPolarHBondContact CG1-O 3.42Å; R208-Y210 HydrophobicContact CB-CE2 3.97Å; R208-E241 IonicContact NH1-OE1 3.99Å; R208-E241 PolarHBondContact NH1-OE1 2.87Å; R208-E241 VanDerWaalsContact NH1-OE1 3.1Å; R208-E241 IonicContact NH1-OE2 3.11Å; R208-G279 CarbonylContact O-C 3.6Å; R208-G279 WeakPolarHBondContact O-CA 3.11Å; R208-I280 HydrophobicContact CB-CB 4.18Å; R208-I280 HydrophobicContact CB-CD1 4.47Å; R208-I280 HydrophobicContact CB-CG1 4.41Å; R208-I280 PolarHBondContact N-O 3.47Å; R208-I280 PolarHBondContact O-N 2.66Å
209	K	94.6	Very high	90.5	Very high	34 Å²	34	37.6 Å²	37.6	15%	0.148	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.5	-175.2	-172.9	177.1	64.5	-169.1	0	111.6	F200 T232 F233 L277 V278	F200-K209 HydrophobicContact CE2-CD 3.85Å; F200-K209 HydrophobicContact CE2-CG 4.43Å; F200-K209 HydrophobicContact CZ-CD 3.8Å; F200-K209 HydrophobicContact CZ-CG 3.89Å; K209-T232 HydrophobicContact CD-CG2 4.47Å; K209-T232 WeakPolarHBondContact CE-OG1 3.44Å; K209-T232 HydrophobicContact CG-CG2 4.34Å; K209-T232 PolarHBondContact NZ-OG1 3.07Å; K209-F233 PolarHBondContact O-N 3.36Å; K209-L277 HydrophobicContact CD-CD1 4.41Å; K209-L277 HydrophobicContact CG-CD1 4.08Å; K209-V278 CarbonylContact C-O 3.59Å; K209-V278 VanDerWaalsContact CA-O 3.29Å; K209-V278 WeakPolarHBondContact CA-O 3.49Å
210	Y	95	Very high	90.2	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141	178.6	-53.3	-98.7	0	0	0	111.2	R208 F233 F238 E241 V278 I280	R208-Y210 HydrophobicContact CB-CE2 3.97Å; Y210-F233 CarbonylContact C-O 3.57Å; Y210-F233 VanDerWaalsContact CA-O 3.3Å; Y210-F233 WeakPolarHBondContact CA-O 3.41Å; Y210-F233 HydrophobicContact CD1-CB 3.35Å; Y210-F233 HydrophobicContact CD1-CG 4.34Å; Y210-F233 HydrophobicContact CE1-CB 3.6Å; Y210-F233 HydrophobicContact CE1-CD2 4.07Å; Y210-F233 HydrophobicContact CE1-CG 4.13Å; Y210-F233 HydrophobicContact CG-CB 4.18Å; Y210-F238 HydrophobicContact CD1-CB 3.87Å; Y210-F238 AromaticContact CD1-CD2 3.7Å; Y210-F238 HydrophobicContact CD1-CD2 3.7Å; Y210-F238 HydrophobicContact CD1-CG 4.29Å; Y210-F238 HydrophobicContact CD2-CD2 4.3Å; Y210-F238 HydrophobicContact CE1-CB 4.05Å; Y210-F238 AromaticContact CE1-CD2 3.75Å; Y210-F238 HydrophobicContact CE1-CD2 3.75Å; Y210-F238 HydrophobicContact CE1-CG 4.38Å; Y210-F238 HydrophobicContact CE2-CD2 4.35Å; Y210-F238 HydrophobicContact CG-CD2 4.01Å; Y210-E241 PolarHBondContact OH-OE2 3.17Å; Y210-V278 PolarHBondContact N-O 2.98Å; Y210-V278 PolarHBondContact O-N 2.61Å; Y210-I280 HydrophobicContact CD2-CD1 4.4Å; Y210-I280 HydrophobicContact CE2-CD1 3.76Å; Y210-I280 HydrophobicContact CE2-CG1 4.37Å
211	D	94.9	Very high	90	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.6	165.2	172.9	-71.2	0	0	0	107.2	R219 T232 F233 K234 S275	D211-R219 PolarHBondContact O-NH2 2.75Å; D211-R219 IonicContact OD1-CZ 3.76Å; D211-R219 VanDerWaalsContact OD1-CZ 3.26Å; D211-R219 IonicContact OD1-NH1 3.21Å; D211-R219 PolarHBondContact OD1-NH1 3.01Å; D211-R219 IonicContact OD1-NH2 3.76Å; D211-R219 PolarHBondContact OD1-NH2 3.13Å; D211-T232 HydrophobicContact CB-CG2 4.04Å; D211-F233 PolarHBondContact N-O 2.95Å; D211-K234 WeakPolarHBondContact O-CA 3.49Å; D211-S275 VanDerWaalsContact CG-CB 3.49Å; D211-S275 PolarHBondContact OD1-OG 2.91Å; D211-S275 WeakPolarHBondContact OD2-CB 3.48Å; D211-S275 PolarHBondContact OD2-OG 3.29Å
212	L	94.8	Very high	89.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.1	-172.5	-55.7	178	0	0	0	111	F238 S275 L276 V278 F406 M407 I410	L212-F238 HydrophobicContact CD1-CD2 4.46Å; L212-F238 HydrophobicContact CD2-CB 4.04Å; L212-F238 HydrophobicContact CD2-CG 4.36Å; L212-S275 CarbonylContact O-C 3.55Å; L212-S275 VanDerWaalsContact O-CA 3.28Å; L212-S275 WeakPolarHBondContact O-CA 3.43Å; L212-L276 PolarHBondContact N-O 2.87Å; L212-L276 PolarHBondContact O-N 3.31Å; L212-V278 HydrophobicContact CD1-CG2 3.86Å; L212-F406 HydrophobicContact CB-CE1 4.17Å; L212-F406 HydrophobicContact CD1-CE1 4.35Å; L212-F406 HydrophobicContact CD2-CE1 4.43Å; L212-M407 HydrophobicContact CB-CE 3.63Å; L212-M407 HydrophobicContact CB-SD 4.22Å; L212-M407 HydrophobicContact CD1-SD 4.42Å; L212-I410 HydrophobicContact CD1-CD1 3.49Å; L212-I410 VanDerWaalsContact CD1-CD1 3.49Å
213	K	93.6	Very high	90	Very high	34 Å²	34	45.9 Å²	45.9	15%	0.148	25%	0.246	C	C	.	.			trans	-123.6	-4.1	-178.7	-76.1	-171	-174.3	-164.3	0	113.8	S215 D235 D273 S275	K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.87Å; K213-D235 PolarHBondContact N-OD1 2.97Å; K213-D235 PolarHBondContact N-OD2 3.03Å; K213-D273 VanDerWaalsContact CE-O 3.3Å; K213-D273 WeakPolarHBondContact CE-O 3.18Å; K213-D273 PolarHBondContact NZ-O 3.4Å; K213-S275 WeakPolarHBondContact CE-OG 3.5Å
214	G	88.8	Confident	89.9	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	63.4	33.4	-170.9	0	0	0	0	0	113	D235 R402 F406	G214-D235 WeakPolarHBondContact CA-OD1 3.41Å; G214-D235 PolarHBondContact N-OD1 3.08Å; G214-R402 WeakPolarHBondContact O-CD 3.37Å; G214-R402 WeakPolarHBondContact O-CG 3.44Å; G214-R402 PolarHBondContact O-NE 3.25Å; G214-F406 VanDerWaalsContact CA-CB 3.45Å
215	S	86	Confident	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.			trans	-129.9	151.8	175.3	54.3	0	0	0	0	109.3	K213 R219 D235 E390	K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.87Å; S215-R219 VanDerWaalsContact O-CB 3.26Å; S215-R219 WeakPolarHBondContact O-CB 3.31Å; S215-R219 WeakPolarHBondContact O-CG 3.24Å; S215-D235 PolarHBondContact N-OD1 2.78Å; S215-D235 WeakPolarHBondContact O-CB 3.35Å; S215-D235 VanDerWaalsContact O-CG 3.31Å; S215-E390 WeakPolarHBondContact CB-O 3.3Å
216	T	78.8	Confident	89.7	Confident	56 Å²	56	48.1 Å²	48.1	34%	0.344	25%	0.252	S	S	.	.			trans	-107.6	-16.8	-174.2	48.3	0	0	0	0	113.3	A218 N236	T216-A218 PolarHBondContact O-N 2.95Å; T216-N236 PolarHBondContact O-ND2 3.49Å
217	V	79	Confident	89.5	Confident	43 Å²	43	51.5 Å²	51.5	26%	0.261	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	114.3	-177.6	-177.3	0	0	0	0	111.6	R219 A389	V217-R219 VanDerWaalsContact C-N 3.26Å; V217-R219 WeakPolarHBondContact O-CG 3.46Å; V217-R219 PolarHBondContact O-N 2.98Å; V217-A389 HydrophobicContact CG2-CB 4.45Å
218	A	79.2	Confident	89.2	Confident	88 Å²	88	52.5 Å²	52.5	73%	0.727	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	34.9	-179	0	0	0	0	0	113.8	T216	T216-A218 PolarHBondContact O-N 2.95Å
219	R	87.8	Confident	88.9	Confident	21 Å²	21	57.6 Å²	57.6	8%	0.079	31%	0.314	C	S	.	.			trans	-110	52.1	-177.7	-65.8	-65	-62.8	175.9	-2.5	111.8	D211 S215 V217 K234 D235 N236	D211-R219 PolarHBondContact O-NH2 2.75Å; D211-R219 IonicContact OD1-CZ 3.76Å; D211-R219 VanDerWaalsContact OD1-CZ 3.26Å; D211-R219 IonicContact OD1-NH1 3.21Å; D211-R219 PolarHBondContact OD1-NH1 3.01Å; D211-R219 IonicContact OD1-NH2 3.76Å; D211-R219 PolarHBondContact OD1-NH2 3.13Å; S215-R219 VanDerWaalsContact O-CB 3.26Å; S215-R219 WeakPolarHBondContact O-CB 3.31Å; S215-R219 WeakPolarHBondContact O-CG 3.24Å; V217-R219 VanDerWaalsContact C-N 3.26Å; V217-R219 WeakPolarHBondContact O-CG 3.46Å; V217-R219 PolarHBondContact O-N 2.98Å; R219-K234 VanDerWaalsContact C-CB 3.47Å; R219-K234 HydrophobicContact CB-CB 4.47Å; R219-K234 WeakPolarHBondContact O-CB 3.39Å; R219-D235 HydrophobicContact CB-CB 3.98Å; R219-D235 IonicContact CZ-OD2 3.4Å; R219-D235 IonicContact NE-OD2 3.9Å; R219-D235 PolarHBondContact NE-OD2 2.94Å; R219-D235 IonicContact NH2-OD2 3.34Å; R219-D235 PolarHBondContact NH2-OD2 2.84Å; R219-D235 PolarHBondContact O-N 3.4Å; R219-N236 VanDerWaalsContact O-CB 3.31Å; R219-N236 WeakPolarHBondContact O-CB 3.41Å; R219-N236 PolarHBondContact O-N 3Å
220	E	90.8	Very high	88.6	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	32%	0.321	S	S	.	.	S	Bend	trans	-125.6	148.6	169.2	-157.5	-178.1	164.8	0	0	109.7	K226 K234 N236 D237	E220-K226 IonicContact OE1-NZ 3.31Å; E220-K226 PolarHBondContact OE1-NZ 2.81Å; E220-K234 WeakPolarHBondContact O-CD 3.35Å; E220-K234 PolarHBondContact O-NZ 3.15Å; E220-N236 HydrophobicContact CB-CB 4.36Å; E220-D237 WeakPolarHBondContact CA-OD2 3.5Å; E220-D237 WeakPolarHBondContact CG-OD1 3.41Å
221	A	89.6	Confident	88.4	Confident	6 Å²	6	59.5 Å²	59.5	5%	0.05	33%	0.326	C	S	.	.			trans	-66.7	140.3	171.9	0	0	0	0	0	110.5	E225 K226 F233 D237	A221-E225 HydrophobicContact CB-CB 4.29Å; A221-E225 HydrophobicContact CB-CG 4.27Å; A221-K226 HydrophobicContact CB-CD 4.48Å; A221-K226 HydrophobicContact CB-CG 3.91Å; A221-K226 VanDerWaalsContact O-CE 3.31Å; A221-K226 WeakPolarHBondContact O-CE 3.42Å; A221-F233 HydrophobicContact CB-CD1 4.16Å; A221-D237 PolarHBondContact N-OD2 2.81Å
222	S	90.8	Very high	88.3	Confident	68 Å²	68	59.7 Å²	59.7	48%	0.476	33%	0.328	S	S	.	.			trans	-74.8	157.9	175.4	62.5	0	0	0	0	110.6	K224 E225 K226	S222-K224 PolarHBondContact O-N 2.89Å; S222-K224 VanDerWaalsContact O-N 3.15Å; S222-E225 WeakPolarHBondContact O-CA 2.98Å; S222-E225 WeakPolarHBondContact O-CB 3.27Å; S222-E225 PolarHBondContact O-N 3.26Å; S222-E225 PolarHBondContact OG-N 2.78Å; S222-K226 PolarHBondContact O-N 2.86Å
223	D	89.9	Confident	88.2	Confident	138 Å²	138	61.4 Å²	61.4	74%	0.738	34%	0.336	S	S	*	.	H	α-helix	trans	-56.5	-35	177.2	-56.7	-39.8	0	0	0	112.2	E225 K226 A227	D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 2.93Å; D223-K226 PolarHBondContact O-N 3.01Å; D223-A227 WeakPolarHBondContact O-CB 3.15Å; D223-A227 PolarHBondContact O-N 3.18Å
224	K	89.2	Confident	88.3	Confident	166 Å²	166	62.7 Å²	62.7	72%	0.722	34%	0.342	S	S	*	.	H	α-helix	trans	-64.3	-36.1	173.9	-174.3	179.3	178.7	-178.1	0	112.8	S222	S222-K224 PolarHBondContact O-N 2.89Å; S222-K224 VanDerWaalsContact O-N 3.15Å
225	E	88.8	Confident	88.5	Confident	29 Å²	29	62.6 Å²	62.6	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-72	-43.8	175.5	-173.4	65.3	-157.6	0	0	110.5	A221 S222 D223 A227 K228 P231 T232	A221-E225 HydrophobicContact CB-CB 4.29Å; A221-E225 HydrophobicContact CB-CG 4.27Å; S222-E225 WeakPolarHBondContact O-CA 2.98Å; S222-E225 WeakPolarHBondContact O-CB 3.27Å; S222-E225 PolarHBondContact O-N 3.26Å; S222-E225 PolarHBondContact OG-N 2.78Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 2.93Å; E225-A227 PolarHBondContact O-N 3.17Å; E225-K228 WeakPolarHBondContact O-CB 3.17Å; E225-K228 WeakPolarHBondContact O-CG 3.3Å; E225-K228 PolarHBondContact O-N 2.77Å; E225-K228 IonicContact OE1-NZ 2.79Å; E225-K228 PolarHBondContact OE1-NZ 3.11Å; E225-K228 WeakPolarHBondContact OE2-CE 3.42Å; E225-K228 IonicContact OE2-NZ 3.33Å; E225-K228 PolarHBondContact OE2-NZ 3.48Å; E225-P231 VanDerWaalsContact O-CB 3.3Å; E225-P231 WeakPolarHBondContact O-CB 3.31Å; E225-T232 VanDerWaalsContact OE1-CB 3.27Å; E225-T232 WeakPolarHBondContact OE1-CB 3.43Å; E225-T232 PolarHBondContact OE1-N 3.41Å; E225-T232 PolarHBondContact OE1-OG1 3.16Å
226	K	90.4	Very high	88.8	Confident	72 Å²	72	64.4 Å²	64.4	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-24.3	178.8	-67.1	-179.2	177.9	178.8	0	113.1	E220 A221 S222 D223 K228 F233 D237	E220-K226 IonicContact OE1-NZ 3.31Å; E220-K226 PolarHBondContact OE1-NZ 2.81Å; A221-K226 HydrophobicContact CB-CD 4.48Å; A221-K226 HydrophobicContact CB-CG 3.91Å; A221-K226 VanDerWaalsContact O-CE 3.31Å; A221-K226 WeakPolarHBondContact O-CE 3.42Å; S222-K226 PolarHBondContact O-N 2.86Å; D223-K226 PolarHBondContact O-N 3.01Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 3.26Å; K226-F233 HydrophobicContact CG-CE1 4.17Å; K226-D237 WeakPolarHBondContact CE-OD1 3.46Å; K226-D237 IonicContact NZ-OD1 3.61Å; K226-D237 PolarHBondContact NZ-OD1 2.86Å; K226-D237 VanDerWaalsContact NZ-OD1 3.11Å
227	A	90.3	Very high	89.4	Confident	87 Å²	87	62.3 Å²	62.3	72%	0.719	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.1	177.6	0	0	0	0	0	115	D223 E225	D223-A227 WeakPolarHBondContact O-CB 3.15Å; D223-A227 PolarHBondContact O-N 3.18Å; E225-A227 PolarHBondContact O-N 3.17Å
228	K	88	Confident	90.1	Very high	43 Å²	43	60.4 Å²	60.4	19%	0.187	33%	0.325	C	S	.	.	S	Bend	trans	-78.9	158.9	176.8	-61.3	174	-179	-174.1	0	110.9	S126 E225 K226 L230 P231	S126-K228 VanDerWaalsContact CB-CE 3.42Å; S126-K228 VanDerWaalsContact CB-NZ 3.28Å; S126-K228 VanDerWaalsContact O-CE 3.24Å; S126-K228 WeakPolarHBondContact O-CE 3.4Å; S126-K228 PolarHBondContact O-NZ 2.92Å; S126-K228 PolarHBondContact OG-NZ 3.36Å; E225-K228 WeakPolarHBondContact O-CB 3.17Å; E225-K228 WeakPolarHBondContact O-CG 3.3Å; E225-K228 PolarHBondContact O-N 2.77Å; E225-K228 IonicContact OE1-NZ 2.79Å; E225-K228 PolarHBondContact OE1-NZ 3.11Å; E225-K228 WeakPolarHBondContact OE2-CE 3.42Å; E225-K228 IonicContact OE2-NZ 3.33Å; E225-K228 PolarHBondContact OE2-NZ 3.48Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 3.26Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.03Å; K228-P231 WeakPolarHBondContact O-CD 3.44Å
229	E	86.4	Confident	90.6	Very high	205 Å²	205	60.3 Å²	60.3	96%	0.958	31%	0.312	S	S	*	.	S	Bend	trans	-59.3	-41.9	173.1	-67.1	-176.6	167.8	0	0	112.3
230	L	88.5	Confident	90.7	Very high	58 Å²	58	65.3 Å²	65.3	30%	0.304	34%	0.34	S	S	.	.	S	Bend	trans	-123.3	83.5	175.5	-171.8	63.6	0	0	0	110.9	V206 H207 K228	V206-L230 HydrophobicContact CG1-CD2 4.49Å; V206-L230 WeakPolarHBondContact O-CD1 3.35Å; H207-L230 WeakPolarHBondContact O-CD1 3.28Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.03Å
231	P	90.7	Very high	90.5	Very high	17 Å²	17	64.9 Å²	64.9	11%	0.11	34%	0.338	C	S	.	.			trans	-66.6	150.5	-179.2	29	-35.7	0	0	0	111.9	E225 K228 F233	E225-P231 VanDerWaalsContact O-CB 3.3Å; E225-P231 WeakPolarHBondContact O-CB 3.31Å; K228-P231 WeakPolarHBondContact O-CD 3.44Å; P231-F233 HydrophobicContact CB-CE1 4.39Å; P231-F233 HydrophobicContact CB-CE2 4.3Å; P231-F233 HydrophobicContact CB-CZ 4.12Å; P231-F233 HydrophobicContact CG-CD2 4.29Å; P231-F233 HydrophobicContact CG-CE1 4.24Å; P231-F233 HydrophobicContact CG-CE2 3.53Å; P231-F233 HydrophobicContact CG-CZ 3.5Å; P231-F233 VanDerWaalsContact CG-CZ 3.5Å
232	T	92.2	Very high	90	Very high	29 Å²	29	67.7 Å²	67.7	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	96.7	170.4	-38.9	0	0	0	0	109.6	K209 D211 E225	K209-T232 HydrophobicContact CD-CG2 4.47Å; K209-T232 WeakPolarHBondContact CE-OG1 3.44Å; K209-T232 HydrophobicContact CG-CG2 4.34Å; K209-T232 PolarHBondContact NZ-OG1 3.07Å; D211-T232 HydrophobicContact CB-CG2 4.04Å; E225-T232 VanDerWaalsContact OE1-CB 3.27Å; E225-T232 WeakPolarHBondContact OE1-CB 3.43Å; E225-T232 PolarHBondContact OE1-N 3.41Å; E225-T232 PolarHBondContact OE1-OG1 3.16Å
233	F	94	Very high	89.3	Confident	36 Å²	36	67.6 Å²	67.6	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	163.5	176.6	-67.8	-62.5	0	0	0	112.1	K209 Y210 D211 A221 K226 P231 D237	K209-F233 PolarHBondContact O-N 3.36Å; Y210-F233 CarbonylContact C-O 3.57Å; Y210-F233 VanDerWaalsContact CA-O 3.3Å; Y210-F233 WeakPolarHBondContact CA-O 3.41Å; Y210-F233 HydrophobicContact CD1-CB 3.35Å; Y210-F233 HydrophobicContact CD1-CG 4.34Å; Y210-F233 HydrophobicContact CE1-CB 3.6Å; Y210-F233 HydrophobicContact CE1-CD2 4.07Å; Y210-F233 HydrophobicContact CE1-CG 4.13Å; Y210-F233 HydrophobicContact CG-CB 4.18Å; D211-F233 PolarHBondContact N-O 2.95Å; A221-F233 HydrophobicContact CB-CD1 4.16Å; K226-F233 HydrophobicContact CG-CE1 4.17Å; P231-F233 HydrophobicContact CB-CE1 4.39Å; P231-F233 HydrophobicContact CB-CE2 4.3Å; P231-F233 HydrophobicContact CB-CZ 4.12Å; P231-F233 HydrophobicContact CG-CD2 4.29Å; P231-F233 HydrophobicContact CG-CE1 4.24Å; P231-F233 HydrophobicContact CG-CE2 3.53Å; P231-F233 HydrophobicContact CG-CZ 3.5Å; P231-F233 VanDerWaalsContact CG-CZ 3.5Å; F233-D237 HydrophobicContact CB-CB 3.85Å; F233-D237 HydrophobicContact CD1-CB 3.78Å; F233-D237 HydrophobicContact CG-CB 4.14Å
234	K	94.2	Very high	89.1	Confident	61 Å²	61	66.1 Å²	66.1	27%	0.265	35%	0.347	S	S	.	.			trans	-125.9	-172.3	179.3	-62.3	-174.9	-164.5	151.1	0	111.6	D211 R219 E220 N236 D237 F238	D211-K234 WeakPolarHBondContact O-CA 3.49Å; R219-K234 VanDerWaalsContact C-CB 3.47Å; R219-K234 HydrophobicContact CB-CB 4.47Å; R219-K234 WeakPolarHBondContact O-CB 3.39Å; E220-K234 WeakPolarHBondContact O-CD 3.35Å; E220-K234 PolarHBondContact O-NZ 3.15Å; K234-N236 PolarHBondContact O-N 3.45Å; K234-D237 PolarHBondContact N-OD2 3.39Å; K234-D237 PolarHBondContact O-N 2.94Å; K234-F238 PolarHBondContact O-N 3.27Å
235	D	93.2	Very high	89.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-53.9	-47.3	-173.3	-49.1	-125.2	0	0	0	113	K213 G214 S215 R219 F238 L239 F406	K213-D235 PolarHBondContact N-OD1 2.97Å; K213-D235 PolarHBondContact N-OD2 3.03Å; G214-D235 WeakPolarHBondContact CA-OD1 3.41Å; G214-D235 PolarHBondContact N-OD1 3.08Å; S215-D235 PolarHBondContact N-OD1 2.78Å; S215-D235 WeakPolarHBondContact O-CB 3.35Å; S215-D235 VanDerWaalsContact O-CG 3.31Å; R219-D235 HydrophobicContact CB-CB 3.98Å; R219-D235 IonicContact CZ-OD2 3.4Å; R219-D235 IonicContact NE-OD2 3.9Å; R219-D235 PolarHBondContact NE-OD2 2.94Å; R219-D235 IonicContact NH2-OD2 3.34Å; R219-D235 PolarHBondContact NH2-OD2 2.84Å; R219-D235 PolarHBondContact O-N 3.4Å; D235-F238 PolarHBondContact O-N 3.14Å; D235-L239 VanDerWaalsContact O-CG 3.31Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 2.93Å; D235-F406 HydrophobicContact CB-CZ 4.06Å
236	N	92.2	Very high	89.5	Confident	38 Å²	38	60.1 Å²	60.1	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-70.8	-36.6	-178.2	-64	-13.9	0	0	0	111.7	T216 R219 E220 K234 F238 L239 N240	T216-N236 PolarHBondContact O-ND2 3.49Å; R219-N236 VanDerWaalsContact O-CB 3.31Å; R219-N236 WeakPolarHBondContact O-CB 3.41Å; R219-N236 PolarHBondContact O-N 3Å; E220-N236 HydrophobicContact CB-CB 4.36Å; K234-N236 PolarHBondContact O-N 3.45Å; N236-F238 VanDerWaalsContact C-N 3.32Å; N236-L239 PolarHBondContact O-N 3.47Å; N236-N240 VanDerWaalsContact O-CB 3.3Å; N236-N240 WeakPolarHBondContact O-CB 3.35Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 PolarHBondContact O-ND2 3.47Å
237	D	93.1	Very high	89.6	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-44.8	174.7	-55.7	-73.4	0	0	0	110.1	E220 A221 K226 F233 K234 N240 E241	E220-D237 WeakPolarHBondContact CA-OD2 3.5Å; E220-D237 WeakPolarHBondContact CG-OD1 3.41Å; A221-D237 PolarHBondContact N-OD2 2.81Å; K226-D237 WeakPolarHBondContact CE-OD1 3.46Å; K226-D237 IonicContact NZ-OD1 3.61Å; K226-D237 PolarHBondContact NZ-OD1 2.86Å; K226-D237 VanDerWaalsContact NZ-OD1 3.11Å; F233-D237 HydrophobicContact CB-CB 3.85Å; F233-D237 HydrophobicContact CD1-CB 3.78Å; F233-D237 HydrophobicContact CG-CB 4.14Å; K234-D237 PolarHBondContact N-OD2 3.39Å; K234-D237 PolarHBondContact O-N 2.94Å; D237-N240 PolarHBondContact O-N 2.88Å; D237-E241 PolarHBondContact O-N 2.96Å
238	F	92.6	Very high	89.8	Confident	3 Å²	3	53 Å²	53	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-47	177.5	-174.2	-83.1	0	0	0	112.1	Y210 L212 K234 D235 N236 N240 E241 H243 L245 I410	Y210-F238 HydrophobicContact CD1-CB 3.87Å; Y210-F238 AromaticContact CD1-CD2 3.7Å; Y210-F238 HydrophobicContact CD1-CD2 3.7Å; Y210-F238 HydrophobicContact CD1-CG 4.29Å; Y210-F238 HydrophobicContact CD2-CD2 4.3Å; Y210-F238 HydrophobicContact CE1-CB 4.05Å; Y210-F238 AromaticContact CE1-CD2 3.75Å; Y210-F238 HydrophobicContact CE1-CD2 3.75Å; Y210-F238 HydrophobicContact CE1-CG 4.38Å; Y210-F238 HydrophobicContact CE2-CD2 4.35Å; Y210-F238 HydrophobicContact CG-CD2 4.01Å; L212-F238 HydrophobicContact CD1-CD2 4.46Å; L212-F238 HydrophobicContact CD2-CB 4.04Å; L212-F238 HydrophobicContact CD2-CG 4.36Å; K234-F238 PolarHBondContact O-N 3.27Å; D235-F238 PolarHBondContact O-N 3.14Å; N236-F238 VanDerWaalsContact C-N 3.32Å; F238-N240 VanDerWaalsContact C-N 3.35Å; F238-N240 PolarHBondContact O-N 3.34Å; F238-E241 PolarHBondContact O-N 3.23Å; F238-H243 VanDerWaalsContact CE1-O 3.3Å; F238-H243 WeakPolarHBondContact CE1-O 3.44Å; F238-H243 WeakPolarHBondContact CZ-O 3.49Å; F238-L245 HydrophobicContact CE2-CD2 4.18Å; F238-L245 HydrophobicContact CE2-CG 4.35Å; F238-L245 HydrophobicContact CZ-CD2 4.41Å; F238-L245 HydrophobicContact CZ-CG 4.18Å; F238-I410 HydrophobicContact CD1-CB 4.47Å; F238-I410 HydrophobicContact CD1-CG2 3.99Å; F238-I410 HydrophobicContact CE1-CB 3.56Å; F238-I410 HydrophobicContact CE1-CD1 4.44Å; F238-I410 HydrophobicContact CE1-CG2 3.52Å; F238-I410 HydrophobicContact CZ-CB 3.94Å; F238-I410 HydrophobicContact CZ-CD1 4.41Å; F238-I410 HydrophobicContact CZ-CG2 4.36Å
239	L	90.1	Very high	90	Very high	85 Å²	85	56.9 Å²	56.9	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-38.5	179.6	-70.2	175.2	0	0	0	112.3	D235 N236 E241 G242 F406	D235-L239 VanDerWaalsContact O-CG 3.31Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 2.93Å; N236-L239 PolarHBondContact O-N 3.47Å; L239-E241 VanDerWaalsContact C-N 3.32Å; L239-E241 PolarHBondContact O-N 3.37Å; L239-G242 PolarHBondContact O-N 2.84Å; L239-G242 VanDerWaalsContact O-N 3.15Å; L239-F406 HydrophobicContact CD1-CE2 4.17Å; L239-F406 HydrophobicContact CD2-CE2 4.15Å; L239-F406 HydrophobicContact CG-CE2 4.28Å
240	N	89.6	Confident	90.4	Very high	126 Å²	126	53.9 Å²	53.9	67%	0.674	29%	0.29	S	S	*	.	H	α-helix	trans	-68.5	-30.1	-179.5	-72.1	-18	0	0	0	112.8	N236 D237 F238 G242	N236-N240 VanDerWaalsContact O-CB 3.3Å; N236-N240 WeakPolarHBondContact O-CB 3.35Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 PolarHBondContact O-ND2 3.47Å; D237-N240 PolarHBondContact O-N 2.88Å; F238-N240 VanDerWaalsContact C-N 3.35Å; F238-N240 PolarHBondContact O-N 3.34Å; N240-G242 PolarHBondContact O-N 3.09Å
241	E	86.1	Confident	90.7	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-69.7	-19	173.8	-73.3	-173.3	152.8	0	0	112.6	R208 Y210 D237 F238 L239 H243	R208-E241 IonicContact NH1-OE1 3.99Å; R208-E241 PolarHBondContact NH1-OE1 2.87Å; R208-E241 VanDerWaalsContact NH1-OE1 3.1Å; R208-E241 IonicContact NH1-OE2 3.11Å; Y210-E241 PolarHBondContact OH-OE2 3.17Å; D237-E241 PolarHBondContact O-N 2.96Å; F238-E241 PolarHBondContact O-N 3.23Å; L239-E241 VanDerWaalsContact C-N 3.32Å; L239-E241 PolarHBondContact O-N 3.37Å; E241-H243 HydrophobicContact CB-CB 4.46Å; E241-H243 PolarHBondContact O-N 3.28Å; E241-H243 VanDerWaalsContact O-N 3.15Å
242	G	79.2	Confident	91	Very high	66 Å²	66	56 Å²	56	68%	0.68	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	10.9	-178.2	0	0	0	0	0	114.1	L239 N240	L239-G242 PolarHBondContact O-N 2.84Å; L239-G242 VanDerWaalsContact O-N 3.15Å; N240-G242 PolarHBondContact O-N 3.09Å
243	H	76.6	Confident	91.2	Very high	65 Å²	65	60.9 Å²	60.9	30%	0.301	32%	0.317	S	S	.	.			trans	-77.8	148.6	-178.9	-158	-121.8	0	0	0	111	F238 E241 E357	F238-H243 VanDerWaalsContact CE1-O 3.3Å; F238-H243 WeakPolarHBondContact CE1-O 3.44Å; F238-H243 WeakPolarHBondContact CZ-O 3.49Å; E241-H243 HydrophobicContact CB-CB 4.46Å; E241-H243 PolarHBondContact O-N 3.28Å; E241-H243 VanDerWaalsContact O-N 3.15Å; H243-E357 IonicContact CE1-OE1 3.17Å; H243-E357 IonicContact CE1-OE2 2.94Å
244	K	86.7	Confident	91.3	Very high	107 Å²	107	64.4 Å²	64.4	47%	0.465	33%	0.33	S	S	.	.			trans	-126.1	148.8	170.1	-72	-166.8	176.5	-167.1	0	109.1	Q246 I410	K244-Q246 PolarHBondContact O-N 2.98Å; K244-I410 WeakPolarHBondContact CA-O 3.19Å; K244-I410 WeakPolarHBondContact CB-O 3.28Å
245	L	91.9	Very high	91.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-81.4	105.6	177.8	-56	177.4	0	0	0	108.4	F238 I247 V278 I280 Y359 M361 I410 L411 S412	F238-L245 HydrophobicContact CE2-CD2 4.18Å; F238-L245 HydrophobicContact CE2-CG 4.35Å; F238-L245 HydrophobicContact CZ-CD2 4.41Å; F238-L245 HydrophobicContact CZ-CG 4.18Å; L245-I247 PolarHBondContact O-N 3.37Å; L245-V278 HydrophobicContact CD1-CG1 4.06Å; L245-V278 HydrophobicContact CD2-CG1 4.38Å; L245-I280 HydrophobicContact CD2-CD1 3.95Å; L245-Y359 HydrophobicContact CB-CE1 4.48Å; L245-Y359 HydrophobicContact CD2-CD1 3.84Å; L245-Y359 HydrophobicContact CD2-CE1 3.73Å; L245-M361 HydrophobicContact CD1-SD 3.77Å; L245-I410 HydrophobicContact CD1-CD1 4.49Å; L245-I410 PolarHBondContact N-O 3.33Å; L245-L411 HydrophobicContact CB-CD2 4.03Å; L245-L411 HydrophobicContact CD1-CD2 4.05Å; L245-S412 PolarHBondContact O-N 3.09Å
246	Q	92.8	Very high	91.7	Very high	70 Å²	70	62.3 Å²	62.3	33%	0.327	32%	0.322	S	S	.	.			trans	-86.4	83.1	-172.9	-65.9	-175.2	-19.6	0	0	110.5	K244 S349 H350 A353 Y359 S412	K244-Q246 PolarHBondContact O-N 2.98Å; Q246-S349 CarbonylContact O-C 3.59Å; Q246-S349 WeakPolarHBondContact O-CA 3.18Å; Q246-H350 PolarHBondContact O-N 2.79Å; Q246-A353 HydrophobicContact CB-CB 4.16Å; Q246-Y359 PolarHBondContact N-OH 3.45Å; Q246-S412 CarbonylContact C-O 3.45Å; Q246-S412 WeakPolarHBondContact CA-O 3.39Å
247	I	93.4	Very high	91.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.			trans	-101.8	-12.7	-177.1	57.7	168.1	0	0	0	113.3	L245 N251 K252 F255 I347 Y359 L411 S412	L245-I247 PolarHBondContact O-N 3.37Å; I247-N251 HydrophobicContact CB-CB 4.18Å; I247-N251 HydrophobicContact CD1-CB 4.33Å; I247-N251 HydrophobicContact CG1-CB 4.46Å; I247-N251 WeakPolarHBondContact O-CB 3.47Å; I247-N251 PolarHBondContact O-ND2 3.12Å; I247-K252 VanDerWaalsContact CD1-CA 3.49Å; I247-K252 HydrophobicContact CD1-CB 3.9Å; I247-K252 HydrophobicContact CG1-CB 4.04Å; I247-F255 HydrophobicContact CD1-CB 4.45Å; I247-I347 HydrophobicContact CB-CG2 4Å; I247-I347 HydrophobicContact CG2-CB 4.46Å; I247-I347 HydrophobicContact CG2-CG2 3.8Å; I247-Y359 HydrophobicContact CG2-CD2 3.35Å; I247-Y359 HydrophobicContact CG2-CE2 3.6Å; I247-Y359 HydrophobicContact CG2-CG 4.36Å; I247-L411 HydrophobicContact CD1-CD2 3.59Å; I247-L411 HydrophobicContact CD1-CG 4.48Å; I247-L411 HydrophobicContact CG1-CD2 4.18Å; I247-S412 PolarHBondContact N-O 2.68Å
248	G	93.5	Very high	92.1	Very high	8 Å²	8	66.2 Å²	66.2	8%	0.082	34%	0.338	C	S	.	.			trans	82.5	159.7	-178.4	0	0	0	0	0	113.1	D250 N251 K252 S412	G248-D250 PolarHBondContact O-N 2.86Å; G248-N251 PolarHBondContact O-N 3.44Å; G248-K252 WeakPolarHBondContact O-CB 3.33Å; G248-K252 PolarHBondContact O-N 2.94Å; G248-S412 PolarHBondContact N-O 3.4Å; G248-S412 VanDerWaalsContact N-O 3.08Å
249	D	93.5	Very high	92.4	Very high	126 Å²	126	66.1 Å²	66.1	67%	0.674	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-40.7	-168.2	-73.6	-36.9	0	0	0	113.9	K252 K253	D249-K252 PolarHBondContact O-N 3.39Å; D249-K253 WeakPolarHBondContact O-CB 3.34Å; D249-K253 PolarHBondContact O-N 2.91Å
250	D	94.6	Very high	92.8	Very high	142 Å²	142	66.8 Å²	66.8	76%	0.759	34%	0.337	S	S	*	.	H	α-helix	trans	-67.4	-49.5	-178.3	-72.1	-26.9	0	0	0	111.8	G248 K252 K253 Y254	G248-D250 PolarHBondContact O-N 2.86Å; D250-K252 VanDerWaalsContact C-N 3.32Å; D250-K252 PolarHBondContact O-N 3.47Å; D250-K253 PolarHBondContact O-N 2.93Å; D250-Y254 WeakPolarHBondContact O-CB 3.43Å; D250-Y254 PolarHBondContact O-N 3.35Å
251	N	95.3	Very high	93.2	Very high	71 Å²	71	64.2 Å²	64.2	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-38.2	176.5	-71.4	-37.8	0	0	0	111.2	I247 G248 Y254 F255 I347	I247-N251 HydrophobicContact CB-CB 4.18Å; I247-N251 HydrophobicContact CD1-CB 4.33Å; I247-N251 HydrophobicContact CG1-CB 4.46Å; I247-N251 WeakPolarHBondContact O-CB 3.47Å; I247-N251 PolarHBondContact O-ND2 3.12Å; G248-N251 PolarHBondContact O-N 3.44Å; N251-Y254 PolarHBondContact O-N 3.5Å; N251-F255 WeakPolarHBondContact O-CB 3.26Å; N251-F255 PolarHBondContact O-N 3.42Å; N251-I347 HydrophobicContact CB-CG2 3.98Å
252	K	95.8	Very high	93.7	Very high	47 Å²	47	60.2 Å²	60.2	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-48	175.7	178.5	174.7	175.7	173.3	0	111.3	I247 G248 D249 D250 F255 L256 L411	I247-K252 VanDerWaalsContact CD1-CA 3.49Å; I247-K252 HydrophobicContact CD1-CB 3.9Å; I247-K252 HydrophobicContact CG1-CB 4.04Å; G248-K252 WeakPolarHBondContact O-CB 3.33Å; G248-K252 PolarHBondContact O-N 2.94Å; D249-K252 PolarHBondContact O-N 3.39Å; D250-K252 VanDerWaalsContact C-N 3.32Å; D250-K252 PolarHBondContact O-N 3.47Å; K252-F255 PolarHBondContact O-N 3.23Å; K252-L256 HydrophobicContact CG-CD1 3.88Å; K252-L256 HydrophobicContact CG-CG 4.36Å; K252-L256 WeakPolarHBondContact O-CB 3.41Å; K252-L256 VanDerWaalsContact O-CG 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.39Å; K252-L256 PolarHBondContact O-N 3.46Å; K252-L411 HydrophobicContact CD-CB 4.13Å; K252-L411 WeakPolarHBondContact CE-O 3.42Å; K252-L411 HydrophobicContact CG-CB 4.16Å; K252-L411 PolarHBondContact NZ-O 3.07Å
253	K	96.6	Very high	94.6	Very high	132 Å²	132	57.3 Å²	57.3	57%	0.574	27%	0.268	S	S	*	.	H	α-helix	trans	-58.8	-50.1	176.7	-176.8	-179	175.3	-173.8	0	111	D249 D250 F255 L256 E257	D249-K253 WeakPolarHBondContact O-CB 3.34Å; D249-K253 PolarHBondContact O-N 2.91Å; D250-K253 PolarHBondContact O-N 2.93Å; K253-F255 PolarHBondContact O-N 3.3Å; K253-L256 PolarHBondContact O-N 3.24Å; K253-E257 WeakPolarHBondContact CE-OE1 3.4Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.45Å
254	Y	96.2	Very high	95.6	Very high	110 Å²	110	59.1 Å²	59.1	43%	0.431	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-41.9	179.4	179.8	-115.6	0	0	0	112.9	N172 D250 N251 K258	N172-Y254 PolarHBondContact ND2-OH 3.25Å; N172-Y254 PolarHBondContact OD1-OH 3.06Å; D250-Y254 WeakPolarHBondContact O-CB 3.43Å; D250-Y254 PolarHBondContact O-N 3.35Å; N251-Y254 PolarHBondContact O-N 3.5Å; Y254-K258 HydrophobicContact CE1-CD 3.98Å; Y254-K258 HydrophobicContact CE2-CD 4.32Å; Y254-K258 WeakPolarHBondContact O-CG 3.45Å; Y254-K258 PolarHBondContact O-N 3.46Å
255	F	97.7	Very high	96.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-46.4	175.8	179.9	-91.4	0	0	0	111.7	L174 I247 N251 K252 K253 E257 K258 L259 L276 I347 M361 L411	L174-F255 HydrophobicContact CD1-CD2 4.03Å; L174-F255 HydrophobicContact CD1-CE1 4.34Å; L174-F255 HydrophobicContact CD1-CE2 3.48Å; L174-F255 VanDerWaalsContact CD1-CE2 3.48Å; L174-F255 HydrophobicContact CD1-CZ 3.67Å; L174-F255 HydrophobicContact CD2-CD2 4.17Å; L174-F255 HydrophobicContact CD2-CE2 3.77Å; L174-F255 HydrophobicContact CG-CE2 4.3Å; I247-F255 HydrophobicContact CD1-CB 4.45Å; N251-F255 WeakPolarHBondContact O-CB 3.26Å; N251-F255 PolarHBondContact O-N 3.42Å; K252-F255 PolarHBondContact O-N 3.23Å; K253-F255 PolarHBondContact O-N 3.3Å; F255-E257 PolarHBondContact O-N 2.82Å; F255-K258 PolarHBondContact O-N 2.82Å; F255-L259 HydrophobicContact CE1-CB 4.36Å; F255-L259 HydrophobicContact CE1-CD2 4.04Å; F255-L259 VanDerWaalsContact O-CB 3.31Å; F255-L259 WeakPolarHBondContact O-CB 3.29Å; F255-L259 PolarHBondContact O-N 3.13Å; F255-L276 HydrophobicContact CZ-CD1 4.11Å; F255-L276 HydrophobicContact CZ-CD2 4.05Å; F255-I347 HydrophobicContact CB-CD1 4.29Å; F255-I347 HydrophobicContact CD2-CD1 3.81Å; F255-I347 HydrophobicContact CG-CD1 4.41Å; F255-M361 HydrophobicContact CD2-CE 4.05Å; F255-M361 HydrophobicContact CE2-CB 3.72Å; F255-M361 HydrophobicContact CE2-CE 3.88Å; F255-M361 HydrophobicContact CE2-SD 4.16Å; F255-M361 HydrophobicContact CZ-CB 4.08Å; F255-M361 HydrophobicContact CZ-CE 4.35Å; F255-M361 HydrophobicContact CZ-SD 4.11Å; F255-L411 HydrophobicContact CD1-CD1 3.52Å; F255-L411 HydrophobicContact CE1-CD1 3.67Å
256	L	97.6	Very high	96.3	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-34.4	-179.3	-71.2	178.4	0	0	0	112.6	K252 K253 L259 K260 Y404 L411	K252-L256 HydrophobicContact CG-CD1 3.88Å; K252-L256 HydrophobicContact CG-CG 4.36Å; K252-L256 WeakPolarHBondContact O-CB 3.41Å; K252-L256 VanDerWaalsContact O-CG 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.39Å; K252-L256 PolarHBondContact O-N 3.46Å; K253-L256 PolarHBondContact O-N 3.24Å; L256-L259 HydrophobicContact CD2-CD2 4.12Å; L256-L259 PolarHBondContact O-N 2.87Å; L256-K260 VanDerWaalsContact O-CB 3.25Å; L256-K260 WeakPolarHBondContact O-CB 3.19Å; L256-K260 PolarHBondContact O-N 3.37Å; L256-Y404 HydrophobicContact CB-CE2 4.32Å; L256-Y404 HydrophobicContact CD2-CE2 4.13Å; L256-Y404 WeakPolarHBondContact O-CE2 3.39Å; L256-L411 HydrophobicContact CD2-CD1 3.88Å; L256-L411 HydrophobicContact CG-CD1 4.35Å
257	E	97.4	Very high	96.3	Very high	110 Å²	110	52.7 Å²	52.7	51%	0.514	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-45.6	172.7	-75.5	174.9	-176.6	0	0	111.4	K253 F255 K260 R261	K253-E257 WeakPolarHBondContact CE-OE1 3.4Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 3.45Å; F255-E257 PolarHBondContact O-N 2.82Å; E257-K260 PolarHBondContact O-N 3.49Å; E257-R261 PolarHBondContact O-N 2.87Å
258	K	97.4	Very high	96.4	Very high	23 Å²	23	57.3 Å²	57.3	10%	0.1	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-49.2	174.1	-71.7	-172.4	-67.7	177	0	111.7	N172 L174 Y254 F255 K260 R261 D262	N172-K258 WeakPolarHBondContact OD1-CD 3.37Å; L174-K258 HydrophobicContact CG-CB 4.4Å; Y254-K258 HydrophobicContact CE1-CD 3.98Å; Y254-K258 HydrophobicContact CE2-CD 4.32Å; Y254-K258 WeakPolarHBondContact O-CG 3.45Å; Y254-K258 PolarHBondContact O-N 3.46Å; F255-K258 PolarHBondContact O-N 2.82Å; K258-K260 VanDerWaalsContact C-N 3.33Å; K258-K260 PolarHBondContact O-N 2.82Å; K258-R261 PolarHBondContact O-N 3.19Å; K258-D262 WeakPolarHBondContact O-CB 3.3Å; K258-D262 PolarHBondContact O-N 2.69Å
259	L	98.3	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-47.6	179.4	-175.1	68.2	0	0	0	111.1	L174 F255 L256 D262 V263 I363 F403 Y404 M407	L174-L259 HydrophobicContact CD1-CB 3.96Å; L174-L259 HydrophobicContact CD1-CD1 3.85Å; F255-L259 HydrophobicContact CE1-CB 4.36Å; F255-L259 HydrophobicContact CE1-CD2 4.04Å; F255-L259 VanDerWaalsContact O-CB 3.31Å; F255-L259 WeakPolarHBondContact O-CB 3.29Å; F255-L259 PolarHBondContact O-N 3.13Å; L256-L259 HydrophobicContact CD2-CD2 4.12Å; L256-L259 PolarHBondContact O-N 2.87Å; L259-D262 PolarHBondContact O-N 2.8Å; L259-V263 HydrophobicContact CD1-CG1 4.23Å; L259-V263 HydrophobicContact CG-CG1 4.44Å; L259-V263 WeakPolarHBondContact O-CG1 3.44Å; L259-V263 WeakPolarHBondContact O-CG2 2.83Å; L259-V263 PolarHBondContact O-N 2.91Å; L259-I363 HydrophobicContact CD1-CD1 4.09Å; L259-I363 HydrophobicContact CD1-CG1 4.36Å; L259-F403 HydrophobicContact CD1-CE1 3.83Å; L259-Y404 HydrophobicContact CD2-CD2 4.02Å; L259-Y404 HydrophobicContact CG-CD2 4.21Å; L259-M407 HydrophobicContact CD2-CB 3.53Å; L259-M407 HydrophobicContact CD2-CG 3.9Å
260	K	97.9	Very high	96.3	Very high	100 Å²	100	57.4 Å²	57.4	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-51.9	179.1	-175.5	174.4	175.8	-178.5	0	111.6	L256 E257 K258 D262 V263 E264 Y404	L256-K260 VanDerWaalsContact O-CB 3.25Å; L256-K260 WeakPolarHBondContact O-CB 3.19Å; L256-K260 PolarHBondContact O-N 3.37Å; E257-K260 PolarHBondContact O-N 3.49Å; K258-K260 VanDerWaalsContact C-N 3.33Å; K258-K260 PolarHBondContact O-N 2.82Å; K260-D262 VanDerWaalsContact C-N 3.31Å; K260-D262 PolarHBondContact O-N 3.33Å; K260-V263 VanDerWaalsContact O-CG2 3.32Å; K260-V263 WeakPolarHBondContact O-CG2 3.4Å; K260-V263 PolarHBondContact O-N 2.85Å; K260-E264 WeakPolarHBondContact CE-OE1 2.96Å; K260-E264 HydrophobicContact CG-CG 4.49Å; K260-E264 WeakPolarHBondContact CG-OE1 3.17Å; K260-E264 WeakPolarHBondContact O-CB 3.2Å; K260-E264 VanDerWaalsContact O-CG 3.26Å; K260-E264 WeakPolarHBondContact O-CG 3.3Å; K260-E264 PolarHBondContact O-N 2.83Å; K260-Y404 HydrophobicContact CB-CD2 4.16Å; K260-Y404 HydrophobicContact CB-CE2 3.69Å; K260-Y404 HydrophobicContact CG-CE2 4.38Å
261	R	98	Very high	96.2	Very high	71 Å²	71	50.6 Å²	50.6	27%	0.268	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-42.6	178.6	179.1	179.7	54.7	65.4	15.9	111.8	F165 N172 E257 K258 F265	F165-R261 HydrophobicContact CE2-CG 3.94Å; F165-R261 HydrophobicContact CZ-CG 4.13Å; N172-R261 PolarHBondContact O-NH2 3.2Å; E257-R261 PolarHBondContact O-N 2.87Å; K258-R261 PolarHBondContact O-N 3.19Å; R261-F265 PolarHBondContact O-N 3.37Å; R261-F265 VanDerWaalsContact O-N 3.1Å
262	D	98.3	Very high	95.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.4	-42.1	-178.6	-63.4	-21.9	0	0	0	112	F165 T173 L174 L175 K258 L259 K260 F265 L266 I363	F165-D262 WeakPolarHBondContact CE1-OD1 3.36Å; F165-D262 WeakPolarHBondContact CZ-OD1 3.45Å; T173-D262 PolarHBondContact OG1-OD1 3.47Å; T173-D262 PolarHBondContact OG1-OD2 3.42Å; L174-D262 WeakPolarHBondContact CB-OD2 3.39Å; L174-D262 PolarHBondContact N-OD2 3Å; L175-D262 HydrophobicContact CD2-CB 4.18Å; L175-D262 HydrophobicContact CG-CB 4.12Å; K258-D262 WeakPolarHBondContact O-CB 3.3Å; K258-D262 PolarHBondContact O-N 2.69Å; L259-D262 PolarHBondContact O-N 2.8Å; K260-D262 VanDerWaalsContact C-N 3.31Å; K260-D262 PolarHBondContact O-N 3.33Å; D262-F265 WeakPolarHBondContact O-CB 3.21Å; D262-F265 PolarHBondContact O-N 3.15Å; D262-L266 WeakPolarHBondContact O-CG 3.23Å; D262-L266 PolarHBondContact O-N 2.87Å; D262-I363 HydrophobicContact CB-CD1 4.01Å
263	V	97.3	Very high	95.4	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-73	-32.1	178.5	-58.7	0	0	0	0	112.8	L259 K260 L266 A267 Y274 I363 F403	L259-V263 HydrophobicContact CD1-CG1 4.23Å; L259-V263 HydrophobicContact CG-CG1 4.44Å; L259-V263 WeakPolarHBondContact O-CG1 3.44Å; L259-V263 WeakPolarHBondContact O-CG2 2.83Å; L259-V263 PolarHBondContact O-N 2.91Å; K260-V263 VanDerWaalsContact O-CG2 3.32Å; K260-V263 WeakPolarHBondContact O-CG2 3.4Å; K260-V263 PolarHBondContact O-N 2.85Å; V263-L266 PolarHBondContact O-N 2.72Å; V263-A267 WeakPolarHBondContact O-CB 3.26Å; V263-A267 PolarHBondContact O-N 2.93Å; V263-Y274 HydrophobicContact CG1-CE2 4.03Å; V263-I363 HydrophobicContact CG1-CD1 4.14Å; V263-F403 HydrophobicContact CG1-CD1 3.75Å; V263-F403 HydrophobicContact CG1-CE1 3.85Å
264	E	96.6	Very high	95.3	Very high	104 Å²	104	39.4 Å²	39.4	49%	0.486	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-45.5	171.2	-76.9	173.3	179.6	0	0	110.3	K260 L266 A267 T268	K260-E264 WeakPolarHBondContact CE-OE1 2.96Å; K260-E264 HydrophobicContact CG-CG 4.49Å; K260-E264 WeakPolarHBondContact CG-OE1 3.17Å; K260-E264 WeakPolarHBondContact O-CB 3.2Å; K260-E264 VanDerWaalsContact O-CG 3.26Å; K260-E264 WeakPolarHBondContact O-CG 3.3Å; K260-E264 PolarHBondContact O-N 2.83Å; E264-L266 PolarHBondContact O-N 2.96Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 2.9Å; E264-T268 WeakPolarHBondContact O-CG2 3.27Å; E264-T268 PolarHBondContact O-N 3.26Å
265	F	97.3	Very high	95.2	Very high	23 Å²	23	34.2 Å²	34.2	10%	0.101	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-48.4	173.6	172	-105.4	0	0	0	112	K161 F165 L175 R261 D262 A267 T268 L269	K161-F265 HydrophobicContact CB-CE2 4.23Å; K161-F265 HydrophobicContact CB-CZ 4.4Å; F165-F265 HydrophobicContact CB-CD2 4.01Å; F165-F265 HydrophobicContact CB-CE1 4.38Å; F165-F265 HydrophobicContact CB-CE2 3.67Å; F165-F265 HydrophobicContact CB-CG 4.49Å; F165-F265 HydrophobicContact CB-CZ 3.87Å; F165-F265 HydrophobicContact CD1-CD1 4.11Å; F165-F265 HydrophobicContact CD1-CE1 4.25Å; F165-F265 HydrophobicContact CD1-CG 4.29Å; F165-F265 HydrophobicContact CD2-CB 3.92Å; F165-F265 HydrophobicContact CD2-CD1 4.33Å; F165-F265 AromaticContact CD2-CD2 3.62Å; F165-F265 HydrophobicContact CD2-CD2 3.62Å; F165-F265 HydrophobicContact CD2-CE2 4.19Å; F165-F265 AromaticContact CD2-CG 3.69Å; F165-F265 HydrophobicContact CD2-CG 3.69Å; F165-F265 HydrophobicContact CE1-CD1 4.22Å; F165-F265 HydrophobicContact CE1-CG 4.38Å; F165-F265 HydrophobicContact CE2-CB 3.53Å; F165-F265 HydrophobicContact CE2-CD1 4.42Å; F165-F265 HydrophobicContact CE2-CD2 4.15Å; F165-F265 AromaticContact CE2-CG 3.79Å; F165-F265 HydrophobicContact CE2-CG 3.79Å; F165-F265 HydrophobicContact CG-CD1 4.13Å; F165-F265 AromaticContact CG-CD2 3.86Å; F165-F265 HydrophobicContact CG-CD2 3.86Å; F165-F265 HydrophobicContact CG-CE1 4.26Å; F165-F265 HydrophobicContact CG-CE2 4Å; F165-F265 AromaticContact CG-CG 3.92Å; F165-F265 HydrophobicContact CG-CG 3.92Å; F165-F265 HydrophobicContact CG-CZ 4.19Å; F165-F265 HydrophobicContact CZ-CB 3.84Å; F165-F265 HydrophobicContact CZ-CD1 4.32Å; F165-F265 HydrophobicContact CZ-CG 4.1Å; L175-F265 HydrophobicContact CD1-CD1 3.71Å; L175-F265 HydrophobicContact CD1-CE1 3.94Å; R261-F265 PolarHBondContact O-N 3.37Å; R261-F265 VanDerWaalsContact O-N 3.1Å; D262-F265 WeakPolarHBondContact O-CB 3.21Å; D262-F265 PolarHBondContact O-N 3.15Å; F265-A267 VanDerWaalsContact C-N 3.3Å; F265-A267 PolarHBondContact O-N 2.71Å; F265-T268 PolarHBondContact O-N 2.91Å; F265-T268 VanDerWaalsContact O-N 3.14Å; F265-T268 PolarHBondContact O-OG1 2.87Å; F265-L269 HydrophobicContact CD1-CD1 4.25Å; F265-L269 HydrophobicContact CE1-CD1 3.54Å; F265-L269 HydrophobicContact CE1-CG 4.45Å; F265-L269 HydrophobicContact CE2-CD1 4.05Å; F265-L269 HydrophobicContact CE2-CG 4.31Å; F265-L269 HydrophobicContact CZ-CD1 3.42Å; F265-L269 VanDerWaalsContact CZ-CD1 3.42Å; F265-L269 HydrophobicContact CZ-CG 4.18Å; F265-L269 PolarHBondContact O-N 2.7Å
266	L	96.6	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-38.6	177.3	-67.6	177.3	0	0	0	112.5	L175 D262 V263 E264 T268 L269 K270 I271 Y274 I363 I366	L175-L266 HydrophobicContact CD2-CD1 3.74Å; L175-L266 HydrophobicContact CD2-CD2 3.93Å; L175-L266 HydrophobicContact CD2-CG 3.9Å; D262-L266 WeakPolarHBondContact O-CG 3.23Å; D262-L266 PolarHBondContact O-N 2.87Å; V263-L266 PolarHBondContact O-N 2.72Å; E264-L266 PolarHBondContact O-N 2.96Å; L266-T268 PolarHBondContact O-N 2.78Å; L266-L269 CarbonylContact O-C 3.48Å; L266-L269 PolarHBondContact O-N 3.41Å; L266-K270 PolarHBondContact O-N 3.04Å; L266-I271 HydrophobicContact CB-CB 4.32Å; L266-I271 HydrophobicContact CD2-CB 4.26Å; L266-I271 HydrophobicContact CD2-CD1 3.75Å; L266-I271 HydrophobicContact CD2-CG2 4.17Å; L266-I271 PolarHBondContact O-N 3.43Å; L266-Y274 HydrophobicContact CB-CE1 3.93Å; L266-Y274 HydrophobicContact CD1-CD1 3.77Å; L266-Y274 HydrophobicContact CD1-CD2 4.05Å; L266-Y274 HydrophobicContact CD1-CE1 3.71Å; L266-Y274 HydrophobicContact CD1-CE2 4.01Å; L266-Y274 HydrophobicContact CD1-CG 3.92Å; L266-Y274 HydrophobicContact CG-CE1 4.46Å; L266-I363 HydrophobicContact CD1-CD1 4.35Å; L266-I363 HydrophobicContact CD1-CG2 4.11Å; L266-I366 HydrophobicContact CD1-CG2 4Å; L266-I366 HydrophobicContact CD2-CB 3.97Å; L266-I366 HydrophobicContact CD2-CD1 4.29Å; L266-I366 HydrophobicContact CD2-CG2 4.02Å
267	A	94.2	Very high	95.2	Very high	19 Å²	19	34.6 Å²	34.6	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-40.3	176	0	0	0	0	0	112	V263 E264 F265 L269 K270	V263-A267 WeakPolarHBondContact O-CB 3.26Å; V263-A267 PolarHBondContact O-N 2.93Å; E264-A267 WeakPolarHBondContact O-CB 3.34Å; E264-A267 PolarHBondContact O-N 2.9Å; F265-A267 VanDerWaalsContact C-N 3.3Å; F265-A267 PolarHBondContact O-N 2.71Å; A267-L269 PolarHBondContact O-N 3.01Å; A267-K270 PolarHBondContact O-N 3.11Å
268	T	94.3	Very high	95.2	Very high	96 Å²	96	29.4 Å²	29.4	59%	0.589	14%	0.142	S	C	*	.	H	α-helix	trans	-63.4	-27.5	175.9	72.5	0	0	0	0	113	E264 F265 L266 K270	E264-T268 WeakPolarHBondContact O-CG2 3.27Å; E264-T268 PolarHBondContact O-N 3.26Å; F265-T268 PolarHBondContact O-N 2.91Å; F265-T268 VanDerWaalsContact O-N 3.14Å; F265-T268 PolarHBondContact O-OG1 2.87Å; L266-T268 PolarHBondContact O-N 2.78Å; T268-K270 VanDerWaalsContact C-N 3.3Å
269	L	93.3	Very high	95.1	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.063	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.2	174.9	-61.3	-173.7	0	0	0	113.2	I158 K161 F265 L266 A267 I271 H369	I158-L269 HydrophobicContact CB-CD1 4.02Å; I158-L269 HydrophobicContact CG2-CD1 4Å; K161-L269 HydrophobicContact CB-CD2 4.03Å; K161-L269 HydrophobicContact CD-CD2 3.25Å; K161-L269 HydrophobicContact CG-CD2 4.29Å; F265-L269 HydrophobicContact CD1-CD1 4.25Å; F265-L269 HydrophobicContact CE1-CD1 3.54Å; F265-L269 HydrophobicContact CE1-CG 4.45Å; F265-L269 HydrophobicContact CE2-CD1 4.05Å; F265-L269 HydrophobicContact CE2-CG 4.31Å; F265-L269 HydrophobicContact CZ-CD1 3.42Å; F265-L269 VanDerWaalsContact CZ-CD1 3.42Å; F265-L269 HydrophobicContact CZ-CG 4.18Å; F265-L269 PolarHBondContact O-N 2.7Å; L266-L269 CarbonylContact O-C 3.48Å; L266-L269 PolarHBondContact O-N 3.41Å; A267-L269 PolarHBondContact O-N 3.01Å; L269-I271 HydrophobicContact CB-CD1 3.55Å; L269-I271 HydrophobicContact CB-CG1 3.77Å; L269-I271 HydrophobicContact CD1-CD1 3.6Å; L269-I271 HydrophobicContact CG-CD1 4.23Å; L269-I271 PolarHBondContact O-N 3.34Å; L269-H369 PolarHBondContact O-CD2 3.2Å
270	K	91.8	Very high	95	Very high	124 Å²	124	28.4 Å²	28.4	54%	0.539	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	31.7	-174.2	-53.4	176.1	-179.9	174.2	0	112.9	L266 A267 T268 Y370 P396	L266-K270 PolarHBondContact O-N 3.04Å; A267-K270 PolarHBondContact O-N 3.11Å; T268-K270 VanDerWaalsContact C-N 3.3Å; K270-Y370 WeakPolarHBondContact O-CB 3.42Å; K270-Y370 PolarHBondContact O-N 2.83Å; K270-P396 HydrophobicContact CB-CG 4.19Å
271	I	91.6	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-86.1	142.9	175.6	-63.6	165	0	0	0	109	I158 L266 L269 Y274 I366	I158-I271 HydrophobicContact CD1-CD1 4.39Å; I158-I271 HydrophobicContact CG2-CD1 4.31Å; L266-I271 HydrophobicContact CB-CB 4.32Å; L266-I271 HydrophobicContact CD2-CB 4.26Å; L266-I271 HydrophobicContact CD2-CD1 3.75Å; L266-I271 HydrophobicContact CD2-CG2 4.17Å; L266-I271 PolarHBondContact O-N 3.43Å; L269-I271 HydrophobicContact CB-CD1 3.55Å; L269-I271 HydrophobicContact CB-CG1 3.77Å; L269-I271 HydrophobicContact CD1-CD1 3.6Å; L269-I271 HydrophobicContact CG-CD1 4.23Å; L269-I271 PolarHBondContact O-N 3.34Å; I271-Y274 HydrophobicContact CG2-CD1 4.06Å; I271-I366 WeakPolarHBondContact CD1-O 3.3Å; I271-I366 HydrophobicContact CG2-CB 4.27Å; I271-I366 VanDerWaalsContact CG2-O 3.31Å; I271-I366 WeakPolarHBondContact CG2-O 3.34Å
272	M	88.2	Confident	94.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.			trans	-149.5	-176.4	-179.6	64.1	179.5	-64.7	0	0	110.8	Y274 T368 Y370 T393 V394 Y399	M272-Y274 PolarHBondContact O-N 3.37Å; M272-Y274 VanDerWaalsContact O-N 3.13Å; M272-T368 PolarHBondContact N-O 3.19Å; M272-T368 VanDerWaalsContact N-O 3.09Å; M272-T368 WeakPolarHBondContact O-CB 3.2Å; M272-Y370 HydrophobicContact CE-CD2 4.25Å; M272-Y370 HydrophobicContact SD-CD2 3.12Å; M272-Y370 WeakPolarHBondContact SD-CD2 3.24Å; M272-Y370 HydrophobicContact SD-CE2 3.89Å; M272-Y370 HydrophobicContact SD-CG 3.69Å; M272-T393 HydrophobicContact CE-CG2 4.04Å; M272-V394 WeakPolarHBondContact CE-O 3.29Å; M272-Y399 HydrophobicContact CB-CG 4.35Å
273	D	86.9	Confident	94.5	Very high	15 Å²	15	22 Å²	22	8%	0.08	11%	0.113	C	C	.	.	S	Bend	trans	60	17.1	179.1	-74.2	-27.4	0	0	0	114	K213 T368 K374 T393	K213-D273 VanDerWaalsContact CE-O 3.3Å; K213-D273 WeakPolarHBondContact CE-O 3.18Å; K213-D273 PolarHBondContact NZ-O 3.4Å; D273-T368 HydrophobicContact CB-CG2 4.11Å; D273-K374 IonicContact OD2-NZ 2.68Å; D273-K374 PolarHBondContact OD2-NZ 3.1Å; D273-T393 WeakPolarHBondContact OD2-CG2 3.49Å
274	Y	94.4	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.			trans	-80.2	146.4	175.6	50.7	-96.4	0	0	0	112.3	V263 L266 I271 M272 I363 I364 Y399 S400 F403	V263-Y274 HydrophobicContact CG1-CE2 4.03Å; L266-Y274 HydrophobicContact CB-CE1 3.93Å; L266-Y274 HydrophobicContact CD1-CD1 3.77Å; L266-Y274 HydrophobicContact CD1-CD2 4.05Å; L266-Y274 HydrophobicContact CD1-CE1 3.71Å; L266-Y274 HydrophobicContact CD1-CE2 4.01Å; L266-Y274 HydrophobicContact CD1-CG 3.92Å; L266-Y274 HydrophobicContact CG-CE1 4.46Å; I271-Y274 HydrophobicContact CG2-CD1 4.06Å; M272-Y274 PolarHBondContact O-N 3.37Å; M272-Y274 VanDerWaalsContact O-N 3.13Å; Y274-I363 HydrophobicContact CD2-CG2 3.89Å; Y274-I363 HydrophobicContact CG-CG2 4.17Å; Y274-I364 WeakPolarHBondContact CA-O 3.5Å; Y274-I364 VanDerWaalsContact CB-O 3.29Å; Y274-I364 WeakPolarHBondContact CB-O 3.34Å; Y274-Y399 HydrophobicContact CD1-CD1 4.25Å; Y274-Y399 AromaticContact CD1-CE1 3.84Å; Y274-Y399 HydrophobicContact CD1-CE1 3.84Å; Y274-Y399 AromaticContact CD2-CE1 3.8Å; Y274-Y399 HydrophobicContact CD2-CE1 3.8Å; Y274-Y399 AromaticContact CE1-CD1 3.65Å; Y274-Y399 HydrophobicContact CE1-CD1 3.65Å; Y274-Y399 AromaticContact CE1-CE1 3.67Å; Y274-Y399 HydrophobicContact CE1-CE1 3.67Å; Y274-Y399 HydrophobicContact CE2-CD1 4.01Å; Y274-Y399 AromaticContact CE2-CE1 3.59Å; Y274-Y399 HydrophobicContact CE2-CE1 3.59Å; Y274-Y399 AromaticContact CG-CE1 3.93Å; Y274-Y399 HydrophobicContact CG-CE1 3.93Å; Y274-Y399 AromaticContact CZ-CD1 3.51Å; Y274-Y399 AromaticContact CZ-CE1 3.54Å; Y274-Y399 PolarHBondContact N-OH 3.4Å; Y274-Y399 PolarHBondContact O-OH 3.24Å; Y274-S400 WeakPolarHBondContact OH-CA 3.36Å; Y274-S400 WeakPolarHBondContact OH-CB 3.37Å; Y274-F403 HydrophobicContact CD2-CD2 4.3Å; Y274-F403 HydrophobicContact CD2-CE1 4.19Å; Y274-F403 HydrophobicContact CD2-CE2 4.01Å; Y274-F403 AromaticContact CD2-CZ 3.94Å; Y274-F403 HydrophobicContact CD2-CZ 3.94Å; Y274-F403 AromaticContact CE2-CD1 3.82Å; Y274-F403 HydrophobicContact CE2-CD1 3.82Å; Y274-F403 HydrophobicContact CE2-CD2 4.13Å; Y274-F403 AromaticContact CE2-CE1 3.85Å; Y274-F403 HydrophobicContact CE2-CE1 3.85Å; Y274-F403 HydrophobicContact CE2-CE2 4.2Å; Y274-F403 AromaticContact CE2-CG 3.93Å; Y274-F403 HydrophobicContact CE2-CG 3.93Å; Y274-F403 HydrophobicContact CE2-CZ 4.05Å
275	S	94.8	Very high	93.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	155.2	178.2	-48	0	0	0	0	111.2	D211 L212 K213 I363 I364	D211-S275 VanDerWaalsContact CG-CB 3.49Å; D211-S275 PolarHBondContact OD1-OG 2.91Å; D211-S275 WeakPolarHBondContact OD2-CB 3.48Å; D211-S275 PolarHBondContact OD2-OG 3.29Å; L212-S275 CarbonylContact O-C 3.55Å; L212-S275 VanDerWaalsContact O-CA 3.28Å; L212-S275 WeakPolarHBondContact O-CA 3.43Å; K213-S275 WeakPolarHBondContact CE-OG 3.5Å; S275-I363 CarbonylContact O-C 3.47Å; S275-I363 VanDerWaalsContact O-CA 3.28Å; S275-I363 WeakPolarHBondContact O-CA 3.28Å; S275-I364 PolarHBondContact N-O 3.36Å; S275-I364 PolarHBondContact O-N 3.03Å
276	L	97.4	Very high	93.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.6	154.4	-169.3	74	0	0	0	107.5	L212 F255 V278 I363 F403 M407	L212-L276 PolarHBondContact N-O 2.87Å; L212-L276 PolarHBondContact O-N 3.31Å; F255-L276 HydrophobicContact CZ-CD1 4.11Å; F255-L276 HydrophobicContact CZ-CD2 4.05Å; L276-V278 HydrophobicContact CD2-CG2 3.92Å; L276-V278 HydrophobicContact CG-CG2 4.1Å; L276-I363 HydrophobicContact CD1-CG1 4.28Å; L276-F403 HydrophobicContact CB-CE2 4.23Å; L276-F403 HydrophobicContact CB-CZ 3.77Å; L276-M407 HydrophobicContact CB-CE 3.72Å; L276-M407 HydrophobicContact CB-SD 3.95Å; L276-M407 HydrophobicContact CD2-CE 4.42Å; L276-M407 HydrophobicContact CD2-CG 4.05Å; L276-M407 HydrophobicContact CD2-SD 3.51Å; L276-M407 VanDerWaalsContact CD2-SD 3.51Å; L276-M407 HydrophobicContact CG-SD 4.38Å
277	L	97.1	Very high	93.2	Very high	24 Å²	24	30.1 Å²	30.1	13%	0.126	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.2	169	-176.6	63.6	0	0	0	108.2	V199 F200 K209 M361 A362 I364	V199-L277 HydrophobicContact CB-CD2 4.09Å; V199-L277 HydrophobicContact CG1-CD2 4.25Å; V199-L277 HydrophobicContact CG2-CD2 4.17Å; F200-L277 HydrophobicContact CE1-CD2 3.99Å; F200-L277 HydrophobicContact CE1-CG 3.96Å; F200-L277 HydrophobicContact CE2-CD2 4.21Å; F200-L277 HydrophobicContact CZ-CD1 3.93Å; F200-L277 HydrophobicContact CZ-CD2 3.59Å; F200-L277 HydrophobicContact CZ-CG 3.69Å; K209-L277 HydrophobicContact CD-CD1 4.41Å; K209-L277 HydrophobicContact CG-CD1 4.08Å; L277-M361 WeakPolarHBondContact O-CA 3.45Å; L277-A362 PolarHBondContact N-O 2.93Å; L277-A362 PolarHBondContact O-N 3.32Å; L277-A362 VanDerWaalsContact O-N 3.13Å; L277-I364 HydrophobicContact CB-CD1 3.99Å; L277-I364 HydrophobicContact CB-CG1 4.12Å; L277-I364 HydrophobicContact CB-CG2 3.83Å; L277-I364 HydrophobicContact CD1-CD1 4.43Å; L277-I364 HydrophobicContact CD2-CG2 4.13Å
278	V	97.1	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.1	177.8	-176.3	0	0	0	0	108.6	K209 Y210 L212 L245 L276 I280 F360 M361	K209-V278 CarbonylContact C-O 3.59Å; K209-V278 VanDerWaalsContact CA-O 3.29Å; K209-V278 WeakPolarHBondContact CA-O 3.49Å; Y210-V278 PolarHBondContact N-O 2.98Å; Y210-V278 PolarHBondContact O-N 2.61Å; L212-V278 HydrophobicContact CD1-CG2 3.86Å; L245-V278 HydrophobicContact CD1-CG1 4.06Å; L245-V278 HydrophobicContact CD2-CG1 4.38Å; L276-V278 HydrophobicContact CD2-CG2 3.92Å; L276-V278 HydrophobicContact CG-CG2 4.1Å; V278-I280 HydrophobicContact CG1-CG1 4.28Å; V278-F360 CarbonylContact C-O 3.51Å; V278-F360 WeakPolarHBondContact CA-O 3.31Å; V278-M361 HydrophobicContact CB-CG 4.47Å; V278-M361 HydrophobicContact CG1-CG 4.09Å; V278-M361 HydrophobicContact CG2-CG 4.15Å
279	G	96.4	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	168.4	0	0	0	0	0	109.8	R208 Y359 F360	R208-G279 CarbonylContact O-C 3.6Å; R208-G279 WeakPolarHBondContact O-CA 3.11Å; G279-Y359 CarbonylContact O-C 3.49Å; G279-Y359 WeakPolarHBondContact O-CA 3.12Å; G279-F360 PolarHBondContact N-O 3.42Å; G279-F360 PolarHBondContact O-N 3.29Å
280	I	95.9	Very high	91.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.2	177.4	-46.9	-175	0	0	0	108.3	H207 R208 Y210 L245 V278 E357 Y359	H207-I280 PolarHBondContact N-O 2.64Å; R208-I280 HydrophobicContact CB-CB 4.18Å; R208-I280 HydrophobicContact CB-CD1 4.47Å; R208-I280 HydrophobicContact CB-CG1 4.41Å; R208-I280 PolarHBondContact N-O 3.47Å; R208-I280 PolarHBondContact O-N 2.66Å; Y210-I280 HydrophobicContact CD2-CD1 4.4Å; Y210-I280 HydrophobicContact CE2-CD1 3.76Å; Y210-I280 HydrophobicContact CE2-CG1 4.37Å; L245-I280 HydrophobicContact CD2-CD1 3.95Å; V278-I280 HydrophobicContact CG1-CG1 4.28Å; I280-E357 HydrophobicContact CG2-CB 4.09Å; I280-E357 HydrophobicContact CG2-CG 4.07Å; I280-Y359 HydrophobicContact CD1-CD1 4.47Å; I280-Y359 HydrophobicContact CD1-CE1 4.37Å; I280-Y359 HydrophobicContact CG1-CD1 4.1Å; I280-Y359 HydrophobicContact CG1-CE1 4.41Å; I280-Y359 HydrophobicContact CG2-CD1 4.07Å; I280-Y359 HydrophobicContact CG2-CE1 3.95Å
281	H	95.6	Very high	91.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.2	167.2	170.5	78.4	0	0	0	108.4	L204 T205 H207 A286 E357 V358 F360	L204-H281 HydrophobicContact CB-CB 4.41Å; T205-H281 WeakPolarHBondContact O-CB 3.23Å; T205-H281 PolarHBondContact O-ND1 3.33Å; H207-H281 AromaticContact CE1-ND1 3.72Å; H281-A286 WeakPolarHBondContact CE1-CB 3.42Å; H281-E357 CarbonylContact O-C 3.45Å; H281-E357 WeakPolarHBondContact O-CA 3.24Å; H281-V358 HydrophobicContact CB-CB 4.23Å; H281-V358 PolarHBondContact N-O 3.26Å; H281-V358 PolarHBondContact O-N 2.99Å; H281-F360 HydrophobicContact CB-CE2 4.01Å
282	D	94.3	Very high	90.8	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.7	175.3	-177	-37.6	0	0	0	107.3	H207 E284 R285 A286 K355	H207-D282 PolarHBondContact CE1-O 2.76Å; H207-D282 WeakPolarHBondContact ND1-CB 3.36Å; H207-D282 PolarHBondContact ND1-N 2.86Å; H207-D282 PolarHBondContact ND1-O 3.15Å; D282-E284 PolarHBondContact OD1-N 2.68Å; D282-R285 HydrophobicContact CB-CB 3.91Å; D282-R285 PolarHBondContact OD1-N 3.14Å; D282-R285 VanDerWaalsContact OD1-N 3.1Å; D282-A286 PolarHBondContact O-N 3.07Å; D282-A286 VanDerWaalsContact O-N 3.1Å; D282-K355 IonicContact OD2-NZ 2.86Å
283	V	93.1	Very high	90.1	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-67.9	-45.1	-169.6	177.7	0	0	0	0	110.9	R285 A286 E287 P335 K356 V358	V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.25Å; V283-A286 PolarHBondContact O-N 2.98Å; V283-E287 WeakPolarHBondContact O-CG 3.35Å; V283-E287 PolarHBondContact O-N 2.97Å; V283-P335 HydrophobicContact CG1-CB 3.79Å; V283-K356 HydrophobicContact CB-CB 4.05Å; V283-K356 WeakPolarHBondContact CB-O 3.06Å; V283-K356 HydrophobicContact CG2-CB 4.2Å; V283-K356 WeakPolarHBondContact CG2-O 3.36Å; V283-K356 PolarHBondContact N-O 3.47Å; V283-V358 HydrophobicContact CG2-CG2 4.34Å
284	E	90.9	Very high	89	Confident	101 Å²	101	57.7 Å²	57.7	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-39.6	-178.2	-63.8	176.3	-176.8	0	0	111	D282 E287 Q288	D282-E284 PolarHBondContact OD1-N 2.68Å; E284-E287 PolarHBondContact O-N 3.11Å; E284-Q288 PolarHBondContact O-N 2.94Å; E284-Q288 VanDerWaalsContact O-N 3.14Å
285	R	91.6	Very high	87.1	Confident	122 Å²	122	60.9 Å²	60.9	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42.6	175	-179.4	176.8	169.2	173.9	-2.1	112.1	D282 V283 Q288 E289	D282-R285 HydrophobicContact CB-CB 3.91Å; D282-R285 PolarHBondContact OD1-N 3.14Å; D282-R285 VanDerWaalsContact OD1-N 3.1Å; V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.25Å; R285-Q288 PolarHBondContact O-N 3.22Å; R285-E289 HydrophobicContact CG-CG 4.47Å; R285-E289 IonicContact CZ-OE1 3.08Å; R285-E289 IonicContact NE-OE1 2.66Å; R285-E289 PolarHBondContact NE-OE1 3.19Å; R285-E289 IonicContact NH2-OE1 3.56Å; R285-E289 PolarHBondContact NH2-OE1 3.49Å; R285-E289 WeakPolarHBondContact O-CG 3.42Å; R285-E289 PolarHBondContact O-N 3.26Å
286	A	89.9	Confident	85	Confident	8 Å²	8	64.1 Å²	64.1	7%	0.066	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-41.6	178.3	0	0	0	0	0	112	H281 D282 V283 Q288 E289 E290	H281-A286 WeakPolarHBondContact CE1-CB 3.42Å; D282-A286 PolarHBondContact O-N 3.07Å; D282-A286 VanDerWaalsContact O-N 3.1Å; V283-A286 PolarHBondContact O-N 2.98Å; A286-Q288 VanDerWaalsContact C-N 3.26Å; A286-Q288 PolarHBondContact O-N 3.33Å; A286-E289 PolarHBondContact O-N 3.47Å; A286-E290 WeakPolarHBondContact O-CG 3.26Å; A286-E290 PolarHBondContact O-N 3Å
287	E	88.2	Confident	82.7	Confident	71 Å²	71	66.9 Å²	66.9	33%	0.332	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-41.8	175	-71.8	176.3	170	0	0	111.5	V283 E284 E290 M291 P335	V283-E287 WeakPolarHBondContact O-CG 3.35Å; V283-E287 PolarHBondContact O-N 2.97Å; E284-E287 PolarHBondContact O-N 3.11Å; E287-E290 PolarHBondContact O-N 2.98Å; E287-M291 WeakPolarHBondContact O-CG 3.49Å; E287-M291 PolarHBondContact O-N 2.86Å; E287-P335 HydrophobicContact CG-CB 3.45Å; E287-P335 VanDerWaalsContact CG-CB 3.45Å; E287-P335 HydrophobicContact CG-CG 3.59Å; E287-P335 WeakPolarHBondContact OE1-CB 3.47Å; E287-P335 WeakPolarHBondContact OE1-CG 3.15Å
288	Q	87.4	Confident	80.2	Confident	130 Å²	130	73.2 Å²	73.2	61%	0.607	41%	0.41	S	S	*	.	H	α-helix	trans	-69	-41.9	178.9	-166.3	149.7	43.6	0	0	112.3	E284 R285 A286 E290 M291 D292	E284-Q288 PolarHBondContact O-N 2.94Å; E284-Q288 VanDerWaalsContact O-N 3.14Å; R285-Q288 PolarHBondContact O-N 3.22Å; A286-Q288 VanDerWaalsContact C-N 3.26Å; A286-Q288 PolarHBondContact O-N 3.33Å; Q288-E290 VanDerWaalsContact C-N 3.29Å; Q288-E290 PolarHBondContact O-N 3.09Å; Q288-M291 PolarHBondContact O-N 2.94Å; Q288-D292 PolarHBondContact O-N 2.83Å
289	E	86.8	Confident	77.7	Confident	70 Å²	70	80.8 Å²	80.8	33%	0.327	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-34.7	174	-71.5	176.4	-177.1	0	0	111.9	H207 R285 A286 V293	H207-E289 IonicContact NE2-OE2 2.71Å; R285-E289 HydrophobicContact CG-CG 4.47Å; R285-E289 IonicContact CZ-OE1 3.08Å; R285-E289 IonicContact NE-OE1 2.66Å; R285-E289 PolarHBondContact NE-OE1 3.19Å; R285-E289 IonicContact NH2-OE1 3.56Å; R285-E289 PolarHBondContact NH2-OE1 3.49Å; R285-E289 WeakPolarHBondContact O-CG 3.42Å; R285-E289 PolarHBondContact O-N 3.26Å; A286-E289 PolarHBondContact O-N 3.47Å; E289-V293 VanDerWaalsContact O-CG2 3.29Å; E289-V293 WeakPolarHBondContact O-CG2 3.46Å; E289-V293 PolarHBondContact O-N 3.41Å
290	E	81.4	Confident	75	Confident	125 Å²	125	88.2 Å²	88.2	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-67.9	-43.4	174.2	-74.5	178.9	179.4	0	0	112	A286 E287 Q288 V293 E294	A286-E290 WeakPolarHBondContact O-CG 3.26Å; A286-E290 PolarHBondContact O-N 3Å; E287-E290 PolarHBondContact O-N 2.98Å; Q288-E290 VanDerWaalsContact C-N 3.29Å; Q288-E290 PolarHBondContact O-N 3.09Å; E290-V293 PolarHBondContact O-N 3.09Å; E290-E294 PolarHBondContact O-N 2.83Å
291	M	79.9	Confident	72.3	Confident	126 Å²	126	97.8 Å²	97.8	62%	0.621	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-39	177.5	-69.2	179.6	-166.4	0	0	112.8	E287 Q288 V293 E294 G295	E287-M291 WeakPolarHBondContact O-CG 3.49Å; E287-M291 PolarHBondContact O-N 2.86Å; Q288-M291 PolarHBondContact O-N 2.94Å; M291-V293 VanDerWaalsContact C-N 3.29Å; M291-V293 PolarHBondContact O-N 3.48Å; M291-E294 PolarHBondContact O-N 3.25Å; M291-G295 PolarHBondContact O-N 3.42Å
292	D	79.3	Confident	69.4	Low	115 Å²	115	105.7 Å²	105.7	62%	0.615	56%	0.564	S	S	*	*	H	α-helix	trans	-66.3	-32.2	179.7	-73.8	-20.2	0	0	0	112	Q288 G296	Q288-D292 PolarHBondContact O-N 2.83Å; D292-G296 PolarHBondContact O-N 3.4Å
293	V	73.9	Confident	66.5	Low	120 Å²	120	113.7 Å²	113.7	73%	0.727	60%	0.601	S	S	*	*	H	α-helix	trans	-71.8	-36.9	174.9	174	0	0	0	0	111.4	E289 E290 M291	E289-V293 VanDerWaalsContact O-CG2 3.29Å; E289-V293 WeakPolarHBondContact O-CG2 3.46Å; E289-V293 PolarHBondContact O-N 3.41Å; E290-V293 PolarHBondContact O-N 3.09Å; M291-V293 VanDerWaalsContact C-N 3.29Å; M291-V293 PolarHBondContact O-N 3.48Å
294	E	63.3	Low	63.8	Low	160 Å²	160	120.6 Å²	120.6	75%	0.748	64%	0.638	S	S	*	*	H	α-helix	trans	-74.9	-33.1	177.9	-68.8	-172.4	165.6	0	0	112.8	E290 M291	E290-E294 PolarHBondContact O-N 2.83Å; M291-E294 PolarHBondContact O-N 3.25Å
295	G	55.5	Low	61	Low	67 Å²	67	123.8 Å²	123.8	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-78.6	-14.4	-179.8	0	0	0	0	0	115.7	M291	M291-G295 PolarHBondContact O-N 3.42Å
296	G	50.9	Low	58.2	Low	67 Å²	67	126.4 Å²	126.4	69%	0.691	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	3.7	-179.7	0	0	0	0	0	115.5	D292	D292-G296 PolarHBondContact O-N 3.4Å
297	G	48	Very low	55.5	Low	60 Å²	60	134.2 Å²	134.2	62%	0.619	71%	0.713	S	S	*	*			trans	-90.9	-0.1	-170.5	0	0	0	0	0	117.3
298	D	45.6	Very low	52.9	Low	158 Å²	158	134.4 Å²	134.4	85%	0.845	73%	0.734	S	S	*	*	S	Bend	trans	-98.9	3.2	-167.4	-92.9	-0.3	0	0	0	116.4
299	D	43.4	Very low	50.2	Low	159 Å²	159	139.6 Å²	139.6	85%	0.85	75%	0.748	S	S	*	*	S	Bend	trans	-122.2	28.2	-172.3	-82.9	-19.6	0	0	0	116.2
300	E	39.4	Very low	47.5	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	77%	0.769	S	S	*	*			trans	-132.2	95.1	166.1	-68.4	-169.3	171.1	0	0	112	F302	E300-F302 HydrophobicContact CB-CD2 4.04Å; E300-F302 HydrophobicContact CB-CE2 3.95Å; E300-F302 PolarHBondContact O-N 3.34Å; E300-F302 VanDerWaalsContact O-N 3.09Å; E300-F302 VanDerWaalsContact OE2-CE2 3.28Å; E300-F302 WeakPolarHBondContact OE2-CE2 3.41Å
301	E	40.2	Very low	45.2	Very low	204 Å²	204	139.1 Å²	139.1	95%	0.953	77%	0.773	S	S	*	*			trans	-56.4	106.8	159.8	-76.8	-176.2	157.1	0	0	109.4
302	F	34.3	Very low	43.3	Very low	169 Å²	169	141.5 Å²	141.5	74%	0.741	79%	0.788	S	S	*	*			trans	-106.1	115.1	164.6	-88.2	-80.7	0	0	0	110.8	E300	E300-F302 HydrophobicContact CB-CD2 4.04Å; E300-F302 HydrophobicContact CB-CE2 3.95Å; E300-F302 PolarHBondContact O-N 3.34Å; E300-F302 VanDerWaalsContact O-N 3.09Å; E300-F302 VanDerWaalsContact OE2-CE2 3.28Å; E300-F302 WeakPolarHBondContact OE2-CE2 3.41Å
303	E	33.7	Very low	41.2	Very low	190 Å²	190	141.5 Å²	141.5	89%	0.888	79%	0.792	S	S	*	*			trans	-57.5	143.6	157.8	-69.4	-173.4	143.3	0	0	110.4
304	N	35.4	Very low	39.3	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	79%	0.789	S	S	*	*			trans	-46.8	135.2	-177.6	-66.1	-65.6	0	0	0	114.6
305	D	32.2	Very low	37.7	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	79%	0.794	S	S	*	*				-161.6	141.3	120.4	-102.6	-17.1	0	0	0	112.8
306	E	34.3	Very low	36.9	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	80%	0.798	S	S	*	*			trans	-76.2	127.5	-164.3	-170.9	176.7	145.5	0	0	113.8
307	M	32.1	Very low	36.4	Very low	172 Å²	172	142.5 Å²	142.5	85%	0.847	80%	0.8	S	S	*	*				152	102.8	117.5	-161.8	61.1	148.7	0	0	113.9
308	G	33	Very low	35.8	Very low	75 Å²	75	145.1 Å²	145.1	77%	0.773	81%	0.805	S	S	*	*			trans	103.7	47.6	135.9	0	0	0	0	0	120.4
309	R	32.6	Very low	35.4	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	80%	0.796	S	S	*	*			trans	-134.9	92.2	160.3	-126.4	-175.6	-168	-106.1	4.2	110
310	G	29.1	Very low	35.6	Very low	76 Å²	76	141 Å²	141	78%	0.784	80%	0.795	S	S	*	*			trans	-100.9	99.9	174	0	0	0	0	0	110.2
311	V	33.4	Very low	35.7	Very low	109 Å²	109	141.1 Å²	141.1	66%	0.661	80%	0.801	S	S	*	*			trans	-66.4	133	158.2	170.4	0	0	0	0	106.8	T313	V311-T313 HydrophobicContact CG1-CG2 4.18Å; V311-T313 PolarHBondContact O-N 2.95Å; V311-T313 VanDerWaalsContact O-N 3.14Å
312	L	38.9	Very low	35.7	Very low	177 Å²	177	135.3 Å²	135.3	93%	0.927	78%	0.783	S	S	*	*			trans	-80.9	90.1	179.4	-67.4	171.1	0	0	0	109
313	T	36.4	Very low	35.9	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	79%	0.789	S	S	*	*			trans	-121.5	128.2	167.4	39.9	0	0	0	0	110	V311	V311-T313 HydrophobicContact CG1-CG2 4.18Å; V311-T313 PolarHBondContact O-N 2.95Å; V311-T313 VanDerWaalsContact O-N 3.14Å
314	G	33.1	Very low	36	Very low	65 Å²	65	128.1 Å²	128.1	67%	0.67	78%	0.783	S	S	*	*			trans	47.3	93.1	157.2	0	0	0	0	0	119.5
315	S	31.1	Very low	36.2	Very low	122 Å²	122	126.7 Å²	126.7	85%	0.853	78%	0.775	S	S	*	*			trans	-99.1	89.3	153.3	-154.6	0	0	0	0	108.3
316	F	38.8	Very low	36.3	Very low	175 Å²	175	124.6 Å²	124.6	77%	0.768	77%	0.771	S	S	*	*			trans	-91	121	166.6	-78.6	-77.2	0	0	0	109.5	F332	F316-F332 HydrophobicContact CE1-CE1 4.24Å; F316-F332 HydrophobicContact CE1-CZ 4.35Å; F316-F332 HydrophobicContact CZ-CE1 4.1Å
317	G	39.2	Very low	36.5	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	77%	0.769	S	S	*	*			trans	103.1	81.4	160	0	0	0	0	0	116.5
318	T	35.4	Very low	36.8	Very low	115 Å²	115	122.3 Å²	122.3	71%	0.706	77%	0.767	S	S	*	*			trans	-124.3	142.8	145.8	43	0	0	0	0	110.4
319	P	36.8	Very low	36.9	Very low	103 Å²	103	125.1 Å²	125.1	67%	0.669	77%	0.773	S	S	*	*			trans	-62.5	160	-177.9	-18.6	31.3	0	0	0	112.7	D321	P319-D321 PolarHBondContact O-N 2.82Å
320	P	48.1	Very low	37.3	Very low	128 Å²	128	116.2 Å²	116.2	83%	0.831	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	0.7	-162.8	25.2	-33.9	0	0	0	117.2
321	D	41.6	Very low	37.9	Very low	157 Å²	157	115 Å²	115	84%	0.84	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	24.2	-171	-73.1	-34.8	0	0	0	115.1	P319	P319-D321 PolarHBondContact O-N 2.82Å
322	S	39.9	Very low	38.7	Very low	83 Å²	83	118.7 Å²	118.7	58%	0.58	75%	0.75	S	S	*	*	S	Bend	trans	-90.5	127.2	172.8	-66.5	0	0	0	0	111.6	G324	S322-G324 PolarHBondContact O-N 3.3Å; S322-G324 VanDerWaalsContact O-N 3.09Å
323	P	38.9	Very low	39.8	Very low	135 Å²	135	114.1 Å²	114.1	88%	0.877	72%	0.723	S	S	*	*			trans	-69.4	111.7	-175.8	27.6	-31.6	0	0	0	110
324	G	36.5	Very low	41.3	Very low	73 Å²	73	110.4 Å²	110.4	75%	0.753	71%	0.708	S	S	*	*			trans	-66.6	140.9	-169.6	0	0	0	0	0	115.1	S322	S322-G324 PolarHBondContact O-N 3.3Å; S322-G324 VanDerWaalsContact O-N 3.09Å
325	N	38	Very low	43.2	Very low	126 Å²	126	110.5 Å²	110.5	67%	0.674	70%	0.696	S	S	*	*			trans	-75.4	124.7	162.6	-171.9	31.8	0	0	0	108.7	L327	N325-L327 PolarHBondContact O-N 3.31Å
326	P	34.4	Very low	45.5	Very low	124 Å²	124	105 Å²	105	81%	0.805	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	24.3	-166.7	32.2	-35.8	0	0	0	114.8
327	L	39.9	Very low	47.9	Very low	149 Å²	149	100.6 Å²	100.6	78%	0.78	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	4.6	-178	-66.4	-179.4	0	0	0	114.7	N325 C329	N325-L327 PolarHBondContact O-N 3.31Å; L327-C329 PolarHBondContact O-N 2.7Å
328	N	38.1	Very low	50.4	Low	151 Å²	151	98.1 Å²	98.1	81%	0.807	61%	0.609	S	S	*	*			trans	-94	73.4	175.5	-151.9	29	0	0	0	110.9
329	C	34.3	Very low	53	Low	135 Å²	135	95.4 Å²	95.4	91%	0.912	59%	0.59	S	S	*	*			trans	-104.5	71.7	166.4	-165.6	0	0	0	0	108.7	L327	L327-C329 PolarHBondContact O-N 2.7Å
330	G	40.5	Very low	55.5	Low	50 Å²	50	94.9 Å²	94.9	52%	0.515	59%	0.587	S	S	.	*			trans	-137	94.6	166.6	0	0	0	0	0	106.5	F332	G330-F332 PolarHBondContact O-N 2.82Å
331	G	42.7	Very low	57.4	Low	50 Å²	50	92.2 Å²	92.2	52%	0.515	57%	0.572	S	S	.	*			trans	-54	141	174.8	0	0	0	0	0	109.9	F333	G331-F333 WeakPolarHBondContact O-CD2 3.33Å; G331-F333 PolarHBondContact O-N 3.27Å
332	F	50.1	Low	59.7	Low	187 Å²	187	86 Å²	86	82%	0.82	54%	0.539	S	S	*	.			trans	-61.1	87.5	165.2	-89.3	-94.9	0	0	0	108.2	F316 G330	F316-F332 HydrophobicContact CE1-CE1 4.24Å; F316-F332 HydrophobicContact CE1-CZ 4.35Å; F316-F332 HydrophobicContact CZ-CE1 4.1Å; G330-F332 PolarHBondContact O-N 2.82Å
333	F	62.1	Low	62.2	Low	82 Å²	82	82.7 Å²	82.7	36%	0.36	52%	0.515	S	S	.	.			trans	-79.3	123.8	169	-71.9	-72.8	0	0	0	107.4	R203 G331 E337 D339	R203-F333 VanDerWaalsContact NH1-CB 3.29Å; G331-F333 WeakPolarHBondContact O-CD2 3.33Å; G331-F333 PolarHBondContact O-N 3.27Å; F333-E337 HydrophobicContact CB-CB 3.84Å; F333-E337 HydrophobicContact CD1-CB 3.94Å; F333-E337 HydrophobicContact CG-CB 4.36Å; F333-D339 HydrophobicContact CZ-CB 4.13Å
334	G	67.1	Low	64.8	Low	37 Å²	37	78.5 Å²	78.5	38%	0.381	49%	0.487	S	S	.	.			trans	-65.8	175.3	174.2	0	0	0	0	0	112.7	G336 E337	G334-G336 PolarHBondContact O-N 3.33Å; G334-E337 VanDerWaalsContact O-CB 3.27Å; G334-E337 WeakPolarHBondContact O-CB 3.4Å; G334-E337 PolarHBondContact O-N 3.26Å
335	P	73.6	Confident	67.7	Low	67 Å²	67	75.4 Å²	75.4	44%	0.435	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.9	177.9	-25	36.3	0	0	0	111.5	V283 E287 E337	V283-P335 HydrophobicContact CG1-CB 3.79Å; E287-P335 HydrophobicContact CG-CB 3.45Å; E287-P335 VanDerWaalsContact CG-CB 3.45Å; E287-P335 HydrophobicContact CG-CG 3.59Å; E287-P335 WeakPolarHBondContact OE1-CB 3.47Å; E287-P335 WeakPolarHBondContact OE1-CG 3.15Å; P335-E337 PolarHBondContact O-N 2.87Å
336	G	79.3	Confident	70.5	Confident	6 Å²	6	70.1 Å²	70.1	6%	0.062	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	0.7	-175.2	0	0	0	0	0	115.8	G334 V358	G334-G336 PolarHBondContact O-N 3.33Å; G336-V358 WeakPolarHBondContact O-CG2 3.45Å
337	E	88.9	Confident	73.4	Confident	82 Å²	82	65.1 Å²	65.1	38%	0.383	39%	0.393	S	S	.	.			trans	-84.3	135.6	170.4	-66.5	-64.4	151.6	0	0	111.1	F333 G334 P335 K348	F333-E337 HydrophobicContact CB-CB 3.84Å; F333-E337 HydrophobicContact CD1-CB 3.94Å; F333-E337 HydrophobicContact CG-CB 4.36Å; G334-E337 VanDerWaalsContact O-CB 3.27Å; G334-E337 WeakPolarHBondContact O-CB 3.4Å; G334-E337 PolarHBondContact O-N 3.26Å; P335-E337 PolarHBondContact O-N 2.87Å; E337-K348 IonicContact OE1-NZ 3.25Å; E337-K348 PolarHBondContact OE1-NZ 2.92Å; E337-K348 IonicContact OE2-NZ 2.71Å; E337-K348 PolarHBondContact OE2-NZ 3.45Å
338	F	91.4	Very high	76.1	Confident	21 Å²	21	61.8 Å²	61.8	9%	0.092	37%	0.372	C	S	.	.			trans	-139.3	158.3	-179.6	58.3	-94.6	0	0	0	110.6	L204 P340 D343 A346 K348 V358	L204-F338 HydrophobicContact CD1-CB 4.03Å; L204-F338 HydrophobicContact CD1-CD1 4.1Å; F338-P340 HydrophobicContact CD2-CG 4.38Å; F338-P340 HydrophobicContact CE2-CB 4.49Å; F338-P340 HydrophobicContact CE2-CG 4.17Å; F338-P340 VanDerWaalsContact O-CD 3.32Å; F338-P340 WeakPolarHBondContact O-CD 3.37Å; F338-D343 HydrophobicContact CB-CB 4.29Å; F338-D343 HydrophobicContact CD2-CB 4.15Å; F338-D343 HydrophobicContact CG-CB 4.49Å; F338-A346 HydrophobicContact CD1-CB 4.22Å; F338-A346 HydrophobicContact CD2-CB 3.69Å; F338-A346 HydrophobicContact CE1-CB 3.93Å; F338-A346 HydrophobicContact CE2-CB 3.39Å; F338-A346 HydrophobicContact CG-CB 4.1Å; F338-A346 HydrophobicContact CZ-CB 3.51Å; F338-K348 HydrophobicContact CE1-CD 4.36Å; F338-K348 HydrophobicContact CE1-CG 3.58Å; F338-K348 HydrophobicContact CZ-CG 4.04Å; F338-V358 HydrophobicContact CD1-CG1 3.78Å; F338-V358 HydrophobicContact CD1-CG2 4.29Å; F338-V358 HydrophobicContact CE1-CG1 3.53Å; F338-V358 HydrophobicContact CE1-CG2 4.19Å; F338-V358 HydrophobicContact CZ-CG1 4.43Å
339	D	90.4	Very high	78.7	Confident	57 Å²	57	55.3 Å²	55.3	31%	0.305	34%	0.339	S	S	.	.			trans	-86.6	112.5	172.6	-177.1	-15.8	0	0	0	109.5	F333 S341 V342 D343	F333-D339 HydrophobicContact CZ-CB 4.13Å; D339-S341 PolarHBondContact O-N 3.24Å; D339-S341 VanDerWaalsContact O-N 3.11Å; D339-S341 VanDerWaalsContact OD1-CB 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.4Å; D339-S341 PolarHBondContact OD1-N 3.26Å; D339-S341 PolarHBondContact OD1-OG 2.91Å; D339-S341 PolarHBondContact OD2-OG 3.3Å; D339-S341 VanDerWaalsContact OD2-OG 3.11Å; D339-V342 HydrophobicContact CB-CB 4.36Å; D339-V342 HydrophobicContact CB-CG2 4.21Å; D339-V342 PolarHBondContact O-N 2.71Å; D339-D343 PolarHBondContact O-N 2.86Å
340	P	90.2	Very high	81.5	Confident	92 Å²	92	53.1 Å²	53.1	60%	0.597	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.4	-179.3	-20.6	33.8	0	0	0	114.2	F338	F338-P340 HydrophobicContact CD2-CG 4.38Å; F338-P340 HydrophobicContact CE2-CB 4.49Å; F338-P340 HydrophobicContact CE2-CG 4.17Å; F338-P340 VanDerWaalsContact O-CD 3.32Å; F338-P340 WeakPolarHBondContact O-CD 3.37Å
341	S	87.6	Confident	83.7	Confident	73 Å²	73	58.7 Å²	58.7	51%	0.51	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.8	175.4	75.9	0	0	0	0	112.8	D339 V344	D339-S341 PolarHBondContact O-N 3.24Å; D339-S341 VanDerWaalsContact O-N 3.11Å; D339-S341 VanDerWaalsContact OD1-CB 3.29Å; D339-S341 WeakPolarHBondContact OD1-CB 3.4Å; D339-S341 PolarHBondContact OD1-N 3.26Å; D339-S341 PolarHBondContact OD1-OG 2.91Å; D339-S341 PolarHBondContact OD2-OG 3.3Å; D339-S341 VanDerWaalsContact OD2-OG 3.11Å; S341-V344 WeakPolarHBondContact O-CG1 3.27Å
342	V	88.8	Confident	85.7	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-53.1	176.6	-174.8	0	0	0	0	110.1	R197 H202 D339 V344	R197-V342 PolarHBondContact NH1-O 2.99Å; H202-V342 VanDerWaalsContact CD2-CG1 3.45Å; H202-V342 WeakPolarHBondContact CD2-CG1 3.31Å; D339-V342 HydrophobicContact CB-CB 4.36Å; D339-V342 HydrophobicContact CB-CG2 4.21Å; D339-V342 PolarHBondContact O-N 2.71Å; V342-V344 VanDerWaalsContact C-N 3.28Å; V342-V344 PolarHBondContact O-N 2.72Å; V342-V344 VanDerWaalsContact O-N 3.16Å
343	D	93	Very high	87.5	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.064	31%	0.306	C	S	.	.	S	Bend	trans	-91.9	58.8	-177.7	-65.5	-20.9	0	0	0	110.6	S201 H202 F338 D339 Y345 A346 F360	S201-D343 WeakPolarHBondContact CA-OD1 3.49Å; S201-D343 VanDerWaalsContact CB-OD2 3.23Å; S201-D343 WeakPolarHBondContact CB-OD2 3.17Å; S201-D343 PolarHBondContact OG-OD1 3.21Å; S201-D343 PolarHBondContact OG-OD2 3.4Å; H202-D343 IonicContact CD2-OD1 3.17Å; F338-D343 HydrophobicContact CB-CB 4.29Å; F338-D343 HydrophobicContact CD2-CB 4.15Å; F338-D343 HydrophobicContact CG-CB 4.49Å; D339-D343 PolarHBondContact O-N 2.86Å; D343-Y345 PolarHBondContact O-N 3.44Å; D343-A346 HydrophobicContact CB-CB 4.07Å; D343-A346 WeakPolarHBondContact O-CB 3.48Å; D343-A346 PolarHBondContact O-N 3.1Å; D343-F360 HydrophobicContact CB-CE1 4.29Å
344	V	94.8	Very high	88.5	Confident	47 Å²	47	54.8 Å²	54.8	29%	0.285	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.1	-169.9	-56.5	0	0	0	0	115.5	S341 V342	S341-V344 WeakPolarHBondContact O-CG1 3.27Å; V342-V344 VanDerWaalsContact C-N 3.28Å; V342-V344 PolarHBondContact O-N 2.72Å; V342-V344 VanDerWaalsContact O-N 3.16Å
345	Y	96.6	Very high	89.5	Confident	8 Å²	8	57.3 Å²	57.3	3%	0.031	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.2	-179.4	-59.7	-68.1	0	0	0	113.4	L175 Q177 V199 D343 F360 M361 A362	L175-Y345 PolarHBondContact O-OH 3.12Å; Q177-Y345 WeakPolarHBondContact CG-OH 3.37Å; V199-Y345 HydrophobicContact CB-CD2 4.44Å; V199-Y345 HydrophobicContact CG1-CD2 4.45Å; V199-Y345 HydrophobicContact CG2-CE2 4.48Å; D343-Y345 PolarHBondContact O-N 3.44Å; Y345-F360 WeakPolarHBondContact O-CA 3.46Å; Y345-M361 PolarHBondContact O-N 3.4Å; Y345-A362 HydrophobicContact CD1-CB 3.57Å; Y345-A362 HydrophobicContact CD2-CB 4.38Å; Y345-A362 HydrophobicContact CE1-CB 3.63Å; Y345-A362 HydrophobicContact CE2-CB 4.41Å; Y345-A362 HydrophobicContact CG-CB 3.95Å
346	A	96.6	Very high	90.4	Very high	16 Å²	16	60.7 Å²	60.7	13%	0.132	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.7	-174.3	0	0	0	0	0	112	F338 D343 V358 Y359 F360	F338-A346 HydrophobicContact CD1-CB 4.22Å; F338-A346 HydrophobicContact CD2-CB 3.69Å; F338-A346 HydrophobicContact CE1-CB 3.93Å; F338-A346 HydrophobicContact CE2-CB 3.39Å; F338-A346 HydrophobicContact CG-CB 4.1Å; F338-A346 HydrophobicContact CZ-CB 3.51Å; D343-A346 HydrophobicContact CB-CB 4.07Å; D343-A346 WeakPolarHBondContact O-CB 3.48Å; D343-A346 PolarHBondContact O-N 3.1Å; A346-V358 HydrophobicContact CB-CG1 4.13Å; A346-Y359 CarbonylContact C-O 3.59Å; A346-Y359 VanDerWaalsContact CA-O 3.27Å; A346-Y359 WeakPolarHBondContact CA-O 3.41Å; A346-F360 HydrophobicContact CB-CD1 3.76Å; A346-F360 HydrophobicContact CB-CE1 3.5Å; A346-F360 HydrophobicContact CB-CZ 4.38Å
347	I	96.2	Very high	91.1	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127	174.1	-55.3	-174.6	0	0	0	107.7	I247 N251 F255 Y359 M361	I247-I347 HydrophobicContact CB-CG2 4Å; I247-I347 HydrophobicContact CG2-CB 4.46Å; I247-I347 HydrophobicContact CG2-CG2 3.8Å; N251-I347 HydrophobicContact CB-CG2 3.98Å; F255-I347 HydrophobicContact CB-CD1 4.29Å; F255-I347 HydrophobicContact CD2-CD1 3.81Å; F255-I347 HydrophobicContact CG-CD1 4.41Å; I347-Y359 PolarHBondContact N-O 3.38Å; I347-Y359 PolarHBondContact O-N 3.37Å; I347-M361 HydrophobicContact CB-CE 4.45Å; I347-M361 HydrophobicContact CD1-CE 3.73Å; I347-M361 HydrophobicContact CG1-CE 4.32Å
348	K	95.1	Very high	91.5	Very high	78 Å²	78	57 Å²	57	34%	0.339	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.7	174.6	-67.9	-172.5	179.3	176.3	0	110.8	E337 F338	E337-K348 IonicContact OE1-NZ 3.25Å; E337-K348 PolarHBondContact OE1-NZ 2.92Å; E337-K348 IonicContact OE2-NZ 2.71Å; E337-K348 PolarHBondContact OE2-NZ 3.45Å; F338-K348 HydrophobicContact CE1-CD 4.36Å; F338-K348 HydrophobicContact CE1-CG 3.58Å; F338-K348 HydrophobicContact CZ-CG 4.04Å
349	S	93.6	Very high	91.7	Very high	16 Å²	16	56 Å²	56	11%	0.112	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.4	153.4	166.8	63.4	0	0	0	0	111	Q246 E357	Q246-S349 CarbonylContact O-C 3.59Å; Q246-S349 WeakPolarHBondContact O-CA 3.18Å; S349-E357 WeakPolarHBondContact CB-O 3.5Å; S349-E357 PolarHBondContact N-O 3.45Å; S349-E357 PolarHBondContact OG-N 3Å; S349-E357 PolarHBondContact OG-O 3.08Å
350	H	93.4	Very high	92.1	Very high	89 Å²	89	53.4 Å²	53.4	41%	0.412	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.4	149.9	173.5	-173.4	-104.1	0	0	0	111	Q246 S352 A353	Q246-H350 PolarHBondContact O-N 2.79Å; H350-S352 PolarHBondContact CE1-OG 3.4Å; H350-S352 WeakPolarHBondContact ND1-CB 3.48Å; H350-S352 PolarHBondContact ND1-N 3.48Å; H350-S352 PolarHBondContact ND1-OG 3.25Å; H350-S352 PolarHBondContact O-N 3.21Å; H350-S352 VanDerWaalsContact O-N 3.12Å; H350-A353 WeakPolarHBondContact O-CB 3.45Å; H350-A353 PolarHBondContact O-N 3.26Å
351	D	86.6	Confident	92.5	Very high	166 Å²	166	49 Å²	49	89%	0.888	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.9	-176.9	-67.3	-27.3	0	0	0	113.5	A353	D351-A353 VanDerWaalsContact C-N 3.27Å
352	S	85.4	Confident	92.9	Very high	93 Å²	93	45.6 Å²	45.6	65%	0.65	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	2.7	175.8	79.1	0	0	0	0	113.7	H350	H350-S352 PolarHBondContact CE1-OG 3.4Å; H350-S352 WeakPolarHBondContact ND1-CB 3.48Å; H350-S352 PolarHBondContact ND1-N 3.48Å; H350-S352 PolarHBondContact ND1-OG 3.25Å; H350-S352 PolarHBondContact O-N 3.21Å; H350-S352 VanDerWaalsContact O-N 3.12Å
353	A	86.1	Confident	93.4	Very high	15 Å²	15	44.3 Å²	44.3	12%	0.124	24%	0.237	C	C	.	.			trans	-67.1	138	179	0	0	0	0	0	110.1	Q246 H350 D351 K355	Q246-A353 HydrophobicContact CB-CB 4.16Å; H350-A353 WeakPolarHBondContact O-CB 3.45Å; H350-A353 PolarHBondContact O-N 3.26Å; D351-A353 VanDerWaalsContact C-N 3.27Å; A353-K355 WeakPolarHBondContact CB-O 3.14Å; A353-K355 PolarHBondContact O-N 2.66Å
354	V	83.9	Confident	93.5	Very high	130 Å²	130	44.6 Å²	44.6	79%	0.788	24%	0.239	S	C	*	.	S	Bend	trans	-63.8	-32.6	179.6	178.8	0	0	0	0	110.7
355	K	87.1	Confident	93.2	Very high	90 Å²	90	45.6 Å²	45.6	39%	0.391	24%	0.242	S	C	.	.	S	Bend	trans	-117.9	135.1	175.3	-66.2	-172.3	169.9	-157.8	0	109.5	D282 A353 E357	D282-K355 IonicContact OD2-NZ 2.86Å; A353-K355 WeakPolarHBondContact CB-O 3.14Å; A353-K355 PolarHBondContact O-N 2.66Å; K355-E357 HydrophobicContact CB-CG 4.09Å; K355-E357 PolarHBondContact O-N 2.91Å
356	K	92.8	Very high	93	Very high	137 Å²	137	45.3 Å²	45.3	60%	0.596	24%	0.241	S	C	*	.			trans	-77.5	113.3	170.3	-68.9	-177.3	179.9	176.9	0	109	V283	V283-K356 HydrophobicContact CB-CB 4.05Å; V283-K356 WeakPolarHBondContact CB-O 3.06Å; V283-K356 HydrophobicContact CG2-CB 4.2Å; V283-K356 WeakPolarHBondContact CG2-O 3.36Å; V283-K356 PolarHBondContact N-O 3.47Å
357	E	94.9	Very high	92.5	Very high	10 Å²	10	45.8 Å²	45.8	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.9	-177.6	-64.4	-178.6	146.5	0	0	111.1	H243 I280 H281 S349 K355 Y359	H243-E357 IonicContact CE1-OE1 3.17Å; H243-E357 IonicContact CE1-OE2 2.94Å; I280-E357 HydrophobicContact CG2-CB 4.09Å; I280-E357 HydrophobicContact CG2-CG 4.07Å; H281-E357 CarbonylContact O-C 3.45Å; H281-E357 WeakPolarHBondContact O-CA 3.24Å; S349-E357 WeakPolarHBondContact CB-O 3.5Å; S349-E357 PolarHBondContact N-O 3.45Å; S349-E357 PolarHBondContact OG-N 3Å; S349-E357 PolarHBondContact OG-O 3.08Å; K355-E357 HydrophobicContact CB-CG 4.09Å; K355-E357 PolarHBondContact O-N 2.91Å; E357-Y359 HydrophobicContact CB-CE1 3.87Å; E357-Y359 HydrophobicContact CB-CE2 4.48Å; E357-Y359 WeakPolarHBondContact OE2-CE1 3.34Å; E357-Y359 VanDerWaalsContact OE2-CZ 3.23Å; E357-Y359 PolarHBondContact OE2-OH 3.07Å
358	V	96.4	Very high	91.8	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.3	166.5	-177.9	0	0	0	0	108.5	L204 H281 V283 G336 F338 A346 F360	L204-V358 HydrophobicContact CD1-CB 4.34Å; L204-V358 HydrophobicContact CD1-CG1 4.26Å; L204-V358 HydrophobicContact CD1-CG2 4.18Å; H281-V358 HydrophobicContact CB-CB 4.23Å; H281-V358 PolarHBondContact N-O 3.26Å; H281-V358 PolarHBondContact O-N 2.99Å; V283-V358 HydrophobicContact CG2-CG2 4.34Å; G336-V358 WeakPolarHBondContact O-CG2 3.45Å; F338-V358 HydrophobicContact CD1-CG1 3.78Å; F338-V358 HydrophobicContact CD1-CG2 4.29Å; F338-V358 HydrophobicContact CE1-CG1 3.53Å; F338-V358 HydrophobicContact CE1-CG2 4.19Å; F338-V358 HydrophobicContact CZ-CG1 4.43Å; A346-V358 HydrophobicContact CB-CG1 4.13Å; V358-F360 HydrophobicContact CB-CE2 4.43Å; V358-F360 HydrophobicContact CG1-CE1 4.28Å; V358-F360 HydrophobicContact CG1-CE2 4.01Å; V358-F360 HydrophobicContact CG1-CZ 3.75Å
359	Y	97	Very high	91.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128	-178.6	-51.6	-67.5	0	0	0	110.8	L245 Q246 I247 G279 I280 A346 I347 E357	L245-Y359 HydrophobicContact CB-CE1 4.48Å; L245-Y359 HydrophobicContact CD2-CD1 3.84Å; L245-Y359 HydrophobicContact CD2-CE1 3.73Å; Q246-Y359 PolarHBondContact N-OH 3.45Å; I247-Y359 HydrophobicContact CG2-CD2 3.35Å; I247-Y359 HydrophobicContact CG2-CE2 3.6Å; I247-Y359 HydrophobicContact CG2-CG 4.36Å; G279-Y359 CarbonylContact O-C 3.49Å; G279-Y359 WeakPolarHBondContact O-CA 3.12Å; I280-Y359 HydrophobicContact CD1-CD1 4.47Å; I280-Y359 HydrophobicContact CD1-CE1 4.37Å; I280-Y359 HydrophobicContact CG1-CD1 4.1Å; I280-Y359 HydrophobicContact CG1-CE1 4.41Å; I280-Y359 HydrophobicContact CG2-CD1 4.07Å; I280-Y359 HydrophobicContact CG2-CE1 3.95Å; A346-Y359 CarbonylContact C-O 3.59Å; A346-Y359 VanDerWaalsContact CA-O 3.27Å; A346-Y359 WeakPolarHBondContact CA-O 3.41Å; I347-Y359 PolarHBondContact N-O 3.38Å; I347-Y359 PolarHBondContact O-N 3.37Å; E357-Y359 HydrophobicContact CB-CE1 3.87Å; E357-Y359 HydrophobicContact CB-CE2 4.48Å; E357-Y359 WeakPolarHBondContact OE2-CE1 3.34Å; E357-Y359 VanDerWaalsContact OE2-CZ 3.23Å; E357-Y359 PolarHBondContact OE2-OH 3.07Å
360	F	97.8	Very high	90.3	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.7	173.1	-59.9	-82.1	0	0	0	109.2	V199 F200 S201 L204 V206 V278 G279 H281 D343 Y345 A346 V358	V199-F360 HydrophobicContact CG1-CB 4.48Å; F200-F360 HydrophobicContact CD1-CB 3.8Å; F200-F360 HydrophobicContact CD1-CG 4.37Å; F200-F360 HydrophobicContact CE1-CB 4.42Å; S201-F360 VanDerWaalsContact CB-CZ 3.4Å; L204-F360 HydrophobicContact CB-CE2 4.39Å; L204-F360 HydrophobicContact CB-CZ 4.03Å; L204-F360 HydrophobicContact CD1-CZ 4.07Å; V206-F360 HydrophobicContact CG2-CD2 4.26Å; V278-F360 CarbonylContact C-O 3.51Å; V278-F360 WeakPolarHBondContact CA-O 3.31Å; G279-F360 PolarHBondContact N-O 3.42Å; G279-F360 PolarHBondContact O-N 3.29Å; H281-F360 HydrophobicContact CB-CE2 4.01Å; D343-F360 HydrophobicContact CB-CE1 4.29Å; Y345-F360 WeakPolarHBondContact O-CA 3.46Å; A346-F360 HydrophobicContact CB-CD1 3.76Å; A346-F360 HydrophobicContact CB-CE1 3.5Å; A346-F360 HydrophobicContact CB-CZ 4.38Å; V358-F360 HydrophobicContact CB-CE2 4.43Å; V358-F360 HydrophobicContact CG1-CE1 4.28Å; V358-F360 HydrophobicContact CG1-CE2 4.01Å; V358-F360 HydrophobicContact CG1-CZ 3.75Å
361	M	97.9	Very high	89.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.7	-171.7	-64.1	-176.6	-73.9	0	0	112.2	L245 F255 L277 V278 Y345 I347 L411	L245-M361 HydrophobicContact CD1-SD 3.77Å; F255-M361 HydrophobicContact CD2-CE 4.05Å; F255-M361 HydrophobicContact CE2-CB 3.72Å; F255-M361 HydrophobicContact CE2-CE 3.88Å; F255-M361 HydrophobicContact CE2-SD 4.16Å; F255-M361 HydrophobicContact CZ-CB 4.08Å; F255-M361 HydrophobicContact CZ-CE 4.35Å; F255-M361 HydrophobicContact CZ-SD 4.11Å; L277-M361 WeakPolarHBondContact O-CA 3.45Å; V278-M361 HydrophobicContact CB-CG 4.47Å; V278-M361 HydrophobicContact CG1-CG 4.09Å; V278-M361 HydrophobicContact CG2-CG 4.15Å; Y345-M361 PolarHBondContact O-N 3.4Å; I347-M361 HydrophobicContact CB-CE 4.45Å; I347-M361 HydrophobicContact CD1-CE 3.73Å; I347-M361 HydrophobicContact CG1-CE 4.32Å; M361-L411 HydrophobicContact CE-CD2 4.27Å; M361-L411 HydrophobicContact SD-CD2 4.15Å
362	A	97.9	Very high	88.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.7	176.5	0	0	0	0	0	112.1	L174 V199 L277 Y345	L174-A362 CarbonylContact O-C 3.6Å; V199-A362 HydrophobicContact CB-CB 4.18Å; V199-A362 HydrophobicContact CG1-CB 3.56Å; V199-A362 HydrophobicContact CG2-CB 3.57Å; L277-A362 PolarHBondContact N-O 2.93Å; L277-A362 PolarHBondContact O-N 3.32Å; L277-A362 VanDerWaalsContact O-N 3.13Å; Y345-A362 HydrophobicContact CD1-CB 3.57Å; Y345-A362 HydrophobicContact CD2-CB 4.38Å; Y345-A362 HydrophobicContact CE1-CB 3.63Å; Y345-A362 HydrophobicContact CE2-CB 4.41Å; Y345-A362 HydrophobicContact CG-CB 3.95Å
363	I	97.9	Very high	87.5	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.7	171.5	-58.5	174.4	0	0	0	108.8	L174 L175 P176 L259 D262 V263 L266 Y274 S275 L276 I366	L174-I363 HydrophobicContact CB-CD1 4.39Å; L174-I363 HydrophobicContact CB-CG1 4.16Å; L174-I363 PolarHBondContact O-N 3.36Å; L175-I363 HydrophobicContact CD2-CB 4.31Å; L175-I363 HydrophobicContact CD2-CD1 4.02Å; L175-I363 HydrophobicContact CD2-CG2 4.36Å; P176-I363 WeakPolarHBondContact CD-O 3.03Å; P176-I363 VanDerWaalsContact CG-O 3.31Å; P176-I363 WeakPolarHBondContact CG-O 3.36Å; L259-I363 HydrophobicContact CD1-CD1 4.09Å; L259-I363 HydrophobicContact CD1-CG1 4.36Å; D262-I363 HydrophobicContact CB-CD1 4.01Å; V263-I363 HydrophobicContact CG1-CD1 4.14Å; L266-I363 HydrophobicContact CD1-CD1 4.35Å; L266-I363 HydrophobicContact CD1-CG2 4.11Å; Y274-I363 HydrophobicContact CD2-CG2 3.89Å; Y274-I363 HydrophobicContact CG-CG2 4.17Å; S275-I363 CarbonylContact O-C 3.47Å; S275-I363 VanDerWaalsContact O-CA 3.28Å; S275-I363 WeakPolarHBondContact O-CA 3.28Å; L276-I363 HydrophobicContact CD1-CG1 4.28Å; I363-I366 HydrophobicContact CG2-CG2 3.64Å
364	I	94.6	Very high	86.7	Confident	19 Å²	19	47.1 Å²	47.1	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	165.1	177.5	62	162.6	0	0	0	111.9	V199 Y274 S275 L277	V199-I364 HydrophobicContact CG2-CG2 4.37Å; Y274-I364 WeakPolarHBondContact CA-O 3.5Å; Y274-I364 VanDerWaalsContact CB-O 3.29Å; Y274-I364 WeakPolarHBondContact CB-O 3.34Å; S275-I364 PolarHBondContact N-O 3.36Å; S275-I364 PolarHBondContact O-N 3.03Å; L277-I364 HydrophobicContact CB-CD1 3.99Å; L277-I364 HydrophobicContact CB-CG1 4.12Å; L277-I364 HydrophobicContact CB-CG2 3.83Å; L277-I364 HydrophobicContact CD1-CD1 4.43Å; L277-I364 HydrophobicContact CD2-CG2 4.13Å
365	D	88.9	Confident	85.8	Confident	67 Å²	67	46.7 Å²	46.7	36%	0.358	23%	0.23	S	C	.	.			trans	59	47.8	172.7	-60.3	-9.4	0	0	0	115.2	K145 L367	K145-D365 IonicContact NZ-OD1 3.62Å; K145-D365 PolarHBondContact NZ-OD1 3.44Å; D365-L367 VanDerWaalsContact C-N 3.3Å; D365-L367 PolarHBondContact O-N 3.31Å
366	I	92.6	Very high	84.8	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	18.3	-176.7	67	161.8	0	0	0	115.1	L175 P176 F178 L266 I271 I363	L175-I366 HydrophobicContact CD2-CD1 4.48Å; L175-I366 HydrophobicContact CD2-CG2 4.33Å; P176-I366 HydrophobicContact CG-CD1 4.25Å; P176-I366 HydrophobicContact CG-CG1 4.1Å; P176-I366 HydrophobicContact CG-CG2 4.5Å; F178-I366 HydrophobicContact CE2-CD1 3.84Å; F178-I366 HydrophobicContact CE2-CG1 4.4Å; F178-I366 HydrophobicContact CZ-CD1 3.86Å; F178-I366 HydrophobicContact CZ-CG1 3.93Å; L266-I366 HydrophobicContact CD1-CG2 4Å; L266-I366 HydrophobicContact CD2-CB 3.97Å; L266-I366 HydrophobicContact CD2-CD1 4.29Å; L266-I366 HydrophobicContact CD2-CG2 4.02Å; I271-I366 WeakPolarHBondContact CD1-O 3.3Å; I271-I366 HydrophobicContact CG2-CB 4.27Å; I271-I366 VanDerWaalsContact CG2-O 3.31Å; I271-I366 WeakPolarHBondContact CG2-O 3.34Å; I363-I366 HydrophobicContact CG2-CG2 3.64Å
367	L	86.3	Confident	83.6	Confident	25 Å²	25	40.4 Å²	40.4	13%	0.131	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	3.6	-179.4	-59.3	178.6	0	0	0	113.2	D151 M155 I158 F178 D365 H369	D151-L367 HydrophobicContact CB-CD1 3.94Å; M155-L367 HydrophobicContact CB-CD2 4.22Å; M155-L367 HydrophobicContact CE-CD1 3.87Å; M155-L367 HydrophobicContact CE-CD2 3.89Å; M155-L367 HydrophobicContact CE-CG 4.45Å; I158-L367 HydrophobicContact CD1-CD2 3.93Å; F178-L367 HydrophobicContact CZ-CD2 4.46Å; D365-L367 VanDerWaalsContact C-N 3.3Å; D365-L367 PolarHBondContact O-N 3.31Å; L367-H369 PolarHBondContact O-N 3.43Å
368	T	81.3	Confident	82.1	Confident	41 Å²	41	42.1 Å²	42.1	25%	0.252	23%	0.228	S	C	.	.			trans	-86	99.9	177.6	-58.2	0	0	0	0	111	M272 D273	M272-T368 PolarHBondContact N-O 3.19Å; M272-T368 VanDerWaalsContact N-O 3.09Å; M272-T368 WeakPolarHBondContact O-CB 3.2Å; D273-T368 HydrophobicContact CB-CG2 4.11Å
369	H	81.1	Confident	80.7	Confident	62 Å²	62	44.5 Å²	44.5	29%	0.287	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-80.3	142.3	176	-174.2	-87	0	0	0	112.6	E154 L269 L367 D371	E154-H369 HydrophobicContact CG-CB 4.2Å; E154-H369 IonicContact OE1-CD2 3.56Å; E154-H369 PolarHBondContact OE1-CD2 3.08Å; E154-H369 IonicContact OE1-CG 3.79Å; L269-H369 PolarHBondContact O-CD2 3.2Å; L367-H369 PolarHBondContact O-N 3.43Å; H369-D371 PolarHBondContact O-N 3.02Å
370	Y	75.5	Confident	79.3	Confident	33 Å²	33	47.5 Å²	47.5	13%	0.129	27%	0.273	C	S	.	.			trans	-78.2	87.6	175.1	-171.8	-128.9	0	0	0	111.8	K270 M272 K374 K375 P396	K270-Y370 WeakPolarHBondContact O-CB 3.42Å; K270-Y370 PolarHBondContact O-N 2.83Å; M272-Y370 HydrophobicContact CE-CD2 4.25Å; M272-Y370 HydrophobicContact SD-CD2 3.12Å; M272-Y370 WeakPolarHBondContact SD-CD2 3.24Å; M272-Y370 HydrophobicContact SD-CE2 3.89Å; M272-Y370 HydrophobicContact SD-CG 3.69Å; Y370-K374 HydrophobicContact CD2-CB 3.51Å; Y370-K374 HydrophobicContact CE2-CB 3.89Å; Y370-K375 HydrophobicContact CD1-CG 4.41Å; Y370-K375 HydrophobicContact CE1-CD 4.4Å; Y370-K375 HydrophobicContact CE1-CG 3.67Å; Y370-K375 HydrophobicContact CE2-CG 3.95Å; Y370-K375 VanDerWaalsContact CZ-CG 3.44Å; Y370-P396 HydrophobicContact CD1-CG 4.14Å; Y370-P396 HydrophobicContact CG-CG 4.19Å
371	D	72.8	Confident	77.9	Confident	63 Å²	63	50.8 Å²	50.8	34%	0.337	29%	0.287	S	S	.	.			trans	-95.6	-177.7	177.8	77.5	-3.8	0	0	0	113.3	H369 K373 K374 K375	H369-D371 PolarHBondContact O-N 3.02Å; D371-K373 VanDerWaalsContact C-N 3.27Å; D371-K373 PolarHBondContact O-N 3.4Å; D371-K373 WeakPolarHBondContact OD1-CA 3.47Å; D371-K373 WeakPolarHBondContact OD1-CB 3.35Å; D371-K373 PolarHBondContact OD1-N 3.44Å; D371-K374 PolarHBondContact O-N 2.92Å; D371-K374 WeakPolarHBondContact OD1-CG 3.41Å; D371-K374 PolarHBondContact OD1-N 3.36Å; D371-K375 PolarHBondContact O-N 2.8Å
372	A	63.6	Low	76.6	Confident	79 Å²	79	52.4 Å²	52.4	65%	0.653	30%	0.297	S	S	*	.	H	α-helix	trans	-61.8	-31.8	178.5	0	0	0	0	0	113.4	K374 K375 A376	A372-K374 VanDerWaalsContact C-N 3.35Å; A372-K375 WeakPolarHBondContact O-CB 3.46Å; A372-K375 PolarHBondContact O-N 2.87Å; A372-A376 PolarHBondContact O-N 3.01Å; A372-A376 VanDerWaalsContact O-N 3.09Å
373	K	70.8	Confident	75.3	Confident	167 Å²	167	58.7 Å²	58.7	73%	0.726	34%	0.335	S	S	*	.	H	α-helix	trans	-66.7	-40.3	176	-64	174.8	179.2	173	0	110.3	D371 A376 A377	D371-K373 VanDerWaalsContact C-N 3.27Å; D371-K373 PolarHBondContact O-N 3.4Å; D371-K373 WeakPolarHBondContact OD1-CA 3.47Å; D371-K373 WeakPolarHBondContact OD1-CB 3.35Å; D371-K373 PolarHBondContact OD1-N 3.44Å; K373-A376 PolarHBondContact O-N 2.78Å; K373-A377 WeakPolarHBondContact O-CB 3.12Å; K373-A377 PolarHBondContact O-N 2.87Å
374	K	68.7	Low	74.1	Confident	59 Å²	59	66.6 Å²	66.6	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-69.2	-34.3	175.9	-65.8	-69.6	-171.8	157.9	0	112.6	D273 Y370 D371 A372 A377 H378	D273-K374 IonicContact OD2-NZ 2.68Å; D273-K374 PolarHBondContact OD2-NZ 3.1Å; Y370-K374 HydrophobicContact CD2-CB 3.51Å; Y370-K374 HydrophobicContact CE2-CB 3.89Å; D371-K374 PolarHBondContact O-N 2.92Å; D371-K374 WeakPolarHBondContact OD1-CG 3.41Å; D371-K374 PolarHBondContact OD1-N 3.36Å; A372-K374 VanDerWaalsContact C-N 3.35Å; K374-A377 PolarHBondContact O-N 3.05Å; K374-H378 WeakPolarHBondContact O-CB 3.2Å; K374-H378 PolarHBondContact O-N 3.35Å
375	K	65.9	Low	72.8	Confident	121 Å²	121	69.5 Å²	69.5	53%	0.526	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-45.2	170.1	-71.2	177.3	-179.3	-175.1	0	111.9	Y370 D371 A372 H378 A379	Y370-K375 HydrophobicContact CD1-CG 4.41Å; Y370-K375 HydrophobicContact CE1-CD 4.4Å; Y370-K375 HydrophobicContact CE1-CG 3.67Å; Y370-K375 HydrophobicContact CE2-CG 3.95Å; Y370-K375 VanDerWaalsContact CZ-CG 3.44Å; D371-K375 PolarHBondContact O-N 2.8Å; A372-K375 WeakPolarHBondContact O-CB 3.46Å; A372-K375 PolarHBondContact O-N 2.87Å; K375-H378 PolarHBondContact O-N 3.19Å; K375-A379 PolarHBondContact O-N 3.34Å
376	A	65.2	Low	71.5	Confident	60 Å²	60	68 Å²	68	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-42	175.7	0	0	0	0	0	112	A372 K373 H378 A379 A380	A372-A376 PolarHBondContact O-N 3.01Å; A372-A376 VanDerWaalsContact O-N 3.09Å; K373-A376 PolarHBondContact O-N 2.78Å; A376-H378 PolarHBondContact O-N 3.42Å; A376-A379 PolarHBondContact O-N 3.3Å; A376-A380 WeakPolarHBondContact O-CB 3.26Å; A376-A380 PolarHBondContact O-N 3.02Å
377	A	68.6	Low	69.8	Low	35 Å²	35	72.6 Å²	72.6	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-40.7	176.1	0	0	0	0	0	112.5	K373 K374 A380 K381	K373-A377 WeakPolarHBondContact O-CB 3.12Å; K373-A377 PolarHBondContact O-N 2.87Å; K374-A377 PolarHBondContact O-N 3.05Å; A377-A380 PolarHBondContact O-N 3.02Å; A377-K381 WeakPolarHBondContact O-CG 3.47Å; A377-K381 PolarHBondContact O-N 3.1Å
378	H	64.3	Low	68.5	Low	46 Å²	46	75.1 Å²	75.1	21%	0.213	45%	0.454	C	S	.	.	H	α-helix	trans	-58.5	-54.8	172.1	172.9	-119.5	0	0	0	110.3	K374 K375 A376 A380 K381 T382 T393	K374-H378 WeakPolarHBondContact O-CB 3.2Å; K374-H378 PolarHBondContact O-N 3.35Å; K375-H378 PolarHBondContact O-N 3.19Å; A376-H378 PolarHBondContact O-N 3.42Å; H378-A380 VanDerWaalsContact C-N 3.29Å; H378-A380 PolarHBondContact O-N 2.81Å; H378-K381 PolarHBondContact O-N 3.29Å; H378-T382 PolarHBondContact CD2-OG1 3.4Å; H378-T382 PolarHBondContact NE2-OG1 3.11Å; H378-T382 PolarHBondContact O-N 3.41Å; H378-T382 PolarHBondContact O-OG1 2.89Å; H378-T393 VanDerWaalsContact CB-O 3.32Å; H378-T393 WeakPolarHBondContact CB-O 3.47Å; H378-T393 PolarHBondContact CD2-O 2.85Å; H378-T393 VanDerWaalsContact CG-O 3.28Å
379	A	65.5	Low	67.5	Low	52 Å²	52	74.7 Å²	74.7	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-54.1	-45.3	179.4	0	0	0	0	0	112.2	K375 A376 T382 V383	K375-A379 PolarHBondContact O-N 3.34Å; A376-A379 PolarHBondContact O-N 3.3Å; A379-T382 PolarHBondContact O-N 2.87Å; A379-V383 VanDerWaalsContact O-CG2 3.28Å; A379-V383 WeakPolarHBondContact O-CG2 3.44Å; A379-V383 PolarHBondContact O-N 2.84Å
380	A	67.9	Low	66.6	Low	64 Å²	64	76.1 Å²	76.1	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-43.3	177.4	0	0	0	0	0	112.9	A376 A377 H378 V383 K384	A376-A380 WeakPolarHBondContact O-CB 3.26Å; A376-A380 PolarHBondContact O-N 3.02Å; A377-A380 PolarHBondContact O-N 3.02Å; H378-A380 VanDerWaalsContact C-N 3.29Å; H378-A380 PolarHBondContact O-N 2.81Å; A380-V383 PolarHBondContact O-N 2.8Å; A380-K384 PolarHBondContact O-N 2.84Å; A380-K384 VanDerWaalsContact O-N 3.08Å
381	K	69.6	Low	66.3	Low	69 Å²	69	74.8 Å²	74.8	30%	0.3	46%	0.456	S	S	.	.	H	α-helix	trans	-69.4	-36.6	178.5	-71.4	-176.7	-166.1	167.5	0	112.2	A377 H378 K384 H385 I391 T393	A377-K381 WeakPolarHBondContact O-CG 3.47Å; A377-K381 PolarHBondContact O-N 3.1Å; H378-K381 PolarHBondContact O-N 3.29Å; K381-K384 PolarHBondContact O-N 3.47Å; K381-H385 PolarHBondContact O-N 2.93Å; K381-H385 PolarHBondContact O-ND1 2.95Å; K381-I391 HydrophobicContact CB-CD1 3.98Å; K381-I391 HydrophobicContact CB-CG1 4.44Å; K381-I391 HydrophobicContact CB-CG2 3.73Å; K381-I391 HydrophobicContact CD-CG2 3.4Å; K381-I391 HydrophobicContact CG-CG2 4.24Å; K381-I391 WeakPolarHBondContact O-CD1 3.32Å; K381-T393 WeakPolarHBondContact CD-OG1 3.3Å; K381-T393 VanDerWaalsContact NZ-CG2 3.32Å; K381-T393 PolarHBondContact NZ-OG1 3.09Å
382	T	70	Confident	65.6	Low	36 Å²	36	73 Å²	73	22%	0.221	45%	0.448	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.5	-53.2	0	0	0	0	111.1	H378 A379 K384 G386	H378-T382 PolarHBondContact CD2-OG1 3.4Å; H378-T382 PolarHBondContact NE2-OG1 3.11Å; H378-T382 PolarHBondContact O-N 3.41Å; H378-T382 PolarHBondContact O-OG1 2.89Å; A379-T382 PolarHBondContact O-N 2.87Å; T382-K384 VanDerWaalsContact C-N 3.3Å; T382-K384 PolarHBondContact O-N 2.91Å; T382-G386 CarbonylContact O-C 3.59Å; T382-G386 VanDerWaalsContact O-CA 3.3Å; T382-G386 WeakPolarHBondContact O-CA 3.41Å; T382-G386 PolarHBondContact O-N 3.45Å
383	V	70.9	Confident	65.6	Low	131 Å²	131	69.4 Å²	69.4	79%	0.794	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-38.9	173.5	170.9	0	0	0	0	111.2	A379 A380	A379-V383 VanDerWaalsContact O-CG2 3.28Å; A379-V383 WeakPolarHBondContact O-CG2 3.44Å; A379-V383 PolarHBondContact O-N 2.84Å; A380-V383 PolarHBondContact O-N 2.8Å
384	K	72	Confident	65.7	Low	166 Å²	166	62.1 Å²	62.1	72%	0.722	39%	0.388	S	S	*	.	H	α-helix	trans	-74.7	-39.6	-178.2	-177.7	175.4	172.9	-176.6	0	114.2	A380 K381 T382	A380-K384 PolarHBondContact O-N 2.84Å; A380-K384 VanDerWaalsContact O-N 3.08Å; K381-K384 PolarHBondContact O-N 3.47Å; T382-K384 VanDerWaalsContact C-N 3.3Å; T382-K384 PolarHBondContact O-N 2.91Å
385	H	66.5	Low	66.4	Low	81 Å²	81	62.4 Å²	62.4	38%	0.375	39%	0.392	S	S	.	.	H	α-helix	trans	-110.8	-3.2	-171	-53.2	87.1	0	0	0	113.7	K381 A389 I391	K381-H385 PolarHBondContact O-N 2.93Å; K381-H385 PolarHBondContact O-ND1 2.95Å; H385-A389 HydrophobicContact CB-CB 3.72Å; H385-A389 WeakPolarHBondContact O-CB 3.39Å; H385-I391 HydrophobicContact CB-CD1 4.4Å
386	G	63	Low	67.5	Low	34 Å²	34	56.8 Å²	56.8	35%	0.351	37%	0.368	S	S	.	.			trans	90.7	158.6	-178.3	0	0	0	0	0	113.6	T382 G388 A389	T382-G386 CarbonylContact O-C 3.59Å; T382-G386 VanDerWaalsContact O-CA 3.3Å; T382-G386 WeakPolarHBondContact O-CA 3.41Å; T382-G386 PolarHBondContact O-N 3.45Å; G386-G388 PolarHBondContact O-N 2.65Å; G386-A389 PolarHBondContact O-N 2.9Å
387	A	56.8	Low	68.6	Low	100 Å²	100	60.7 Å²	60.7	83%	0.826	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.8	-175.1	0	0	0	0	0	114.6
388	G	57.9	Low	69.5	Low	79 Å²	79	64.5 Å²	64.5	81%	0.814	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.8	178.7	0	0	0	0	0	115.1	G386	G386-G388 PolarHBondContact O-N 2.65Å
389	A	60.5	Low	70.8	Confident	31 Å²	31	62.3 Å²	62.3	26%	0.256	38%	0.378	S	S	.	.	S	Bend	trans	-77.7	132.6	179.8	0	0	0	0	0	111.4	V217 H385 G386 I391	V217-A389 HydrophobicContact CG2-CB 4.45Å; H385-A389 HydrophobicContact CB-CB 3.72Å; H385-A389 WeakPolarHBondContact O-CB 3.39Å; G386-A389 PolarHBondContact O-N 2.9Å; A389-I391 HydrophobicContact CB-CD1 4.21Å; A389-I391 HydrophobicContact CB-CG1 3.99Å; A389-I391 PolarHBondContact O-N 2.95Å
390	E	62.6	Low	72.2	Confident	93 Å²	93	60.5 Å²	60.5	44%	0.435	36%	0.362	S	S	.	.			trans	-74.4	72.5	175.8	-66.5	-176.1	160.3	0	0	111.5	S215	S215-E390 WeakPolarHBondContact CB-O 3.3Å
391	I	68.8	Low	73.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	36%	0.364	C	S	.	.			trans	-78.1	139.3	-177.4	-63	157.2	0	0	0	110.1	K381 H385 A389 T393 V394 R402	K381-I391 HydrophobicContact CB-CD1 3.98Å; K381-I391 HydrophobicContact CB-CG1 4.44Å; K381-I391 HydrophobicContact CB-CG2 3.73Å; K381-I391 HydrophobicContact CD-CG2 3.4Å; K381-I391 HydrophobicContact CG-CG2 4.24Å; K381-I391 WeakPolarHBondContact O-CD1 3.32Å; H385-I391 HydrophobicContact CB-CD1 4.4Å; A389-I391 HydrophobicContact CB-CD1 4.21Å; A389-I391 HydrophobicContact CB-CG1 3.99Å; A389-I391 PolarHBondContact O-N 2.95Å; I391-T393 VanDerWaalsContact C-N 3.31Å; I391-T393 PolarHBondContact O-N 2.92Å; I391-V394 WeakPolarHBondContact O-CG1 3.48Å; I391-R402 PolarHBondContact O-NH1 2.92Å
392	S	58.7	Low	74.5	Confident	26 Å²	26	61.9 Å²	61.9	18%	0.182	36%	0.355	C	S	.	.	S	Bend	trans	-56.5	-41.7	-180	60.3	0	0	0	0	113.7	V394 Y399	S392-V394 PolarHBondContact O-N 3.23Å; S392-Y399 WeakPolarHBondContact O-CD2 3.41Å; S392-Y399 WeakPolarHBondContact O-CE2 3.44Å
393	T	64.4	Low	75.7	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	35%	0.345	C	S	.	.	S	Bend	trans	-89.3	91.9	-176.8	48.6	0	0	0	0	112.1	M272 D273 H378 K381 I391	M272-T393 HydrophobicContact CE-CG2 4.04Å; D273-T393 WeakPolarHBondContact OD2-CG2 3.49Å; H378-T393 VanDerWaalsContact CB-O 3.32Å; H378-T393 WeakPolarHBondContact CB-O 3.47Å; H378-T393 PolarHBondContact CD2-O 2.85Å; H378-T393 VanDerWaalsContact CG-O 3.28Å; K381-T393 WeakPolarHBondContact CD-OG1 3.3Å; K381-T393 VanDerWaalsContact NZ-CG2 3.32Å; K381-T393 PolarHBondContact NZ-OG1 3.09Å; I391-T393 VanDerWaalsContact C-N 3.31Å; I391-T393 PolarHBondContact O-N 2.92Å
394	V	72.9	Confident	77	Confident	14 Å²	14	57 Å²	57	9%	0.085	32%	0.319	C	S	.	.			trans	-127.5	176.5	176.3	-68.1	0	0	0	0	111	M272 I391 S392 Q398 Y399	M272-V394 WeakPolarHBondContact CE-O 3.29Å; I391-V394 WeakPolarHBondContact O-CG1 3.48Å; S392-V394 PolarHBondContact O-N 3.23Å; V394-Q398 HydrophobicContact CB-CB 4.4Å; V394-Q398 HydrophobicContact CG2-CB 4.14Å; V394-Y399 HydrophobicContact CG2-CD2 4.08Å; V394-Y399 HydrophobicContact CG2-CG 4.47Å
395	N	83.4	Confident	78.1	Confident	65 Å²	65	53.6 Å²	53.6	35%	0.348	31%	0.305	S	S	.	.			trans	-52.3	135.3	173.2	177.9	-36.5	0	0	0	110	E397 Q398 Y399	N395-E397 PolarHBondContact O-N 3.01Å; N395-E397 VanDerWaalsContact O-N 3.09Å; N395-E397 PolarHBondContact OD1-N 3.37Å; N395-Q398 HydrophobicContact CB-CB 4.44Å; N395-Q398 HydrophobicContact CB-CG 4.3Å; N395-Q398 WeakPolarHBondContact O-CA 3.4Å; N395-Q398 WeakPolarHBondContact O-CB 3.41Å; N395-Q398 PolarHBondContact O-N 3.19Å; N395-Y399 PolarHBondContact O-N 3.13Å
396	P	87.3	Confident	79.4	Confident	4 Å²	4	51 Å²	51	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-47.3	-36.2	178.8	-31.5	35.7	0	0	0	115.9	K270 Y370 Y399 S400	K270-P396 HydrophobicContact CB-CG 4.19Å; Y370-P396 HydrophobicContact CD1-CG 4.14Å; Y370-P396 HydrophobicContact CG-CG 4.19Å; P396-Y399 PolarHBondContact O-N 3.33Å; P396-S400 WeakPolarHBondContact O-CB 3.36Å; P396-S400 PolarHBondContact O-N 2.87Å; P396-S400 PolarHBondContact O-OG 2.86Å
397	E	88.9	Confident	81	Confident	141 Å²	141	49.4 Å²	49.4	66%	0.659	28%	0.276	S	S	*	.	H	α-helix	trans	-68.6	-41.8	176.2	-70.4	175.2	-172.2	0	0	112.2	N395 S400 K401	N395-E397 PolarHBondContact O-N 3.01Å; N395-E397 VanDerWaalsContact O-N 3.09Å; N395-E397 PolarHBondContact OD1-N 3.37Å; E397-S400 WeakPolarHBondContact CA-OG 3.39Å; E397-S400 PolarHBondContact O-OG 3.33Å; E397-K401 WeakPolarHBondContact O-CB 3.49Å; E397-K401 PolarHBondContact O-N 3.34Å
398	Q	88.8	Confident	82.8	Confident	116 Å²	116	46.1 Å²	46.1	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-38.1	175.4	-67.1	174.8	-23.1	0	0	111.1	V394 N395 R402	V394-Q398 HydrophobicContact CB-CB 4.4Å; V394-Q398 HydrophobicContact CG2-CB 4.14Å; N395-Q398 HydrophobicContact CB-CB 4.44Å; N395-Q398 HydrophobicContact CB-CG 4.3Å; N395-Q398 WeakPolarHBondContact O-CA 3.4Å; N395-Q398 WeakPolarHBondContact O-CB 3.41Å; N395-Q398 PolarHBondContact O-N 3.19Å; Q398-R402 WeakPolarHBondContact O-CB 3.37Å; Q398-R402 PolarHBondContact O-N 2.91Å
399	Y	91.6	Very high	84.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-53	177.2	-171.5	-88.6	0	0	0	111	M272 Y274 S392 V394 N395 P396 K401 R402 F403	M272-Y399 HydrophobicContact CB-CG 4.35Å; Y274-Y399 HydrophobicContact CD1-CD1 4.25Å; Y274-Y399 AromaticContact CD1-CE1 3.84Å; Y274-Y399 HydrophobicContact CD1-CE1 3.84Å; Y274-Y399 AromaticContact CD2-CE1 3.8Å; Y274-Y399 HydrophobicContact CD2-CE1 3.8Å; Y274-Y399 AromaticContact CE1-CD1 3.65Å; Y274-Y399 HydrophobicContact CE1-CD1 3.65Å; Y274-Y399 AromaticContact CE1-CE1 3.67Å; Y274-Y399 HydrophobicContact CE1-CE1 3.67Å; Y274-Y399 HydrophobicContact CE2-CD1 4.01Å; Y274-Y399 AromaticContact CE2-CE1 3.59Å; Y274-Y399 HydrophobicContact CE2-CE1 3.59Å; Y274-Y399 AromaticContact CG-CE1 3.93Å; Y274-Y399 HydrophobicContact CG-CE1 3.93Å; Y274-Y399 AromaticContact CZ-CD1 3.51Å; Y274-Y399 AromaticContact CZ-CE1 3.54Å; Y274-Y399 PolarHBondContact N-OH 3.4Å; Y274-Y399 PolarHBondContact O-OH 3.24Å; S392-Y399 WeakPolarHBondContact O-CD2 3.41Å; S392-Y399 WeakPolarHBondContact O-CE2 3.44Å; V394-Y399 HydrophobicContact CG2-CD2 4.08Å; V394-Y399 HydrophobicContact CG2-CG 4.47Å; N395-Y399 PolarHBondContact O-N 3.13Å; P396-Y399 PolarHBondContact O-N 3.33Å; Y399-K401 PolarHBondContact O-N 3.41Å; Y399-R402 PolarHBondContact O-N 3.01Å; Y399-F403 HydrophobicContact CE1-CB 4.41Å; Y399-F403 HydrophobicContact CE1-CD2 4.33Å; Y399-F403 WeakPolarHBondContact O-CB 3.36Å; Y399-F403 PolarHBondContact O-N 3.48Å
400	S	92.9	Very high	86	Confident	14 Å²	14	46.5 Å²	46.5	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-42.6	-178.7	50.9	0	0	0	0	112.1	Y274 P396 E397 F403 Y404	Y274-S400 WeakPolarHBondContact OH-CA 3.36Å; Y274-S400 WeakPolarHBondContact OH-CB 3.37Å; P396-S400 WeakPolarHBondContact O-CB 3.36Å; P396-S400 PolarHBondContact O-N 2.87Å; P396-S400 PolarHBondContact O-OG 2.86Å; E397-S400 WeakPolarHBondContact CA-OG 3.39Å; E397-S400 PolarHBondContact O-OG 3.33Å; S400-F403 PolarHBondContact O-N 3.33Å; S400-Y404 VanDerWaalsContact O-CB 3.31Å; S400-Y404 WeakPolarHBondContact O-CB 3.47Å; S400-Y404 PolarHBondContact O-N 3.06Å
401	K	93.8	Very high	87.4	Confident	132 Å²	132	42.2 Å²	42.2	57%	0.574	21%	0.207	S	C	*	.	H	α-helix	trans	-60.9	-51.5	176.3	-176.9	174.8	175	179.1	0	112	E397 Y399 F403 Y404 E405	E397-K401 WeakPolarHBondContact O-CB 3.49Å; E397-K401 PolarHBondContact O-N 3.34Å; Y399-K401 PolarHBondContact O-N 3.41Å; K401-F403 VanDerWaalsContact C-N 3.35Å; K401-F403 PolarHBondContact O-N 3.3Å; K401-Y404 PolarHBondContact O-N 3.48Å; K401-E405 WeakPolarHBondContact CE-OE1 3.48Å; K401-E405 IonicContact NZ-OE1 2.86Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 WeakPolarHBondContact O-CG 3.36Å; K401-E405 PolarHBondContact O-N 2.9Å
402	R	93.6	Very high	88.1	Confident	30 Å²	30	44.9 Å²	44.9	11%	0.113	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-44.5	178.9	-175.3	-167	68.5	-149.6	-2.3	111.7	G214 I391 Q398 Y399 E405 F406	G214-R402 WeakPolarHBondContact O-CD 3.37Å; G214-R402 WeakPolarHBondContact O-CG 3.44Å; G214-R402 PolarHBondContact O-NE 3.25Å; I391-R402 PolarHBondContact O-NH1 2.92Å; Q398-R402 WeakPolarHBondContact O-CB 3.37Å; Q398-R402 PolarHBondContact O-N 2.91Å; Y399-R402 PolarHBondContact O-N 3.01Å; R402-E405 PolarHBondContact O-N 3.35Å; R402-F406 WeakPolarHBondContact O-CB 3.49Å; R402-F406 PolarHBondContact O-N 2.98Å
403	F	95.6	Very high	89.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-49.1	177.2	-179.5	-92.4	0	0	0	110.9	L259 V263 Y274 L276 Y399 S400 K401 F406 M407	L259-F403 HydrophobicContact CD1-CE1 3.83Å; V263-F403 HydrophobicContact CG1-CD1 3.75Å; V263-F403 HydrophobicContact CG1-CE1 3.85Å; Y274-F403 HydrophobicContact CD2-CD2 4.3Å; Y274-F403 HydrophobicContact CD2-CE1 4.19Å; Y274-F403 HydrophobicContact CD2-CE2 4.01Å; Y274-F403 AromaticContact CD2-CZ 3.94Å; Y274-F403 HydrophobicContact CD2-CZ 3.94Å; Y274-F403 AromaticContact CE2-CD1 3.82Å; Y274-F403 HydrophobicContact CE2-CD1 3.82Å; Y274-F403 HydrophobicContact CE2-CD2 4.13Å; Y274-F403 AromaticContact CE2-CE1 3.85Å; Y274-F403 HydrophobicContact CE2-CE1 3.85Å; Y274-F403 HydrophobicContact CE2-CE2 4.2Å; Y274-F403 AromaticContact CE2-CG 3.93Å; Y274-F403 HydrophobicContact CE2-CG 3.93Å; Y274-F403 HydrophobicContact CE2-CZ 4.05Å; L276-F403 HydrophobicContact CB-CE2 4.23Å; L276-F403 HydrophobicContact CB-CZ 3.77Å; Y399-F403 HydrophobicContact CE1-CB 4.41Å; Y399-F403 HydrophobicContact CE1-CD2 4.33Å; Y399-F403 WeakPolarHBondContact O-CB 3.36Å; Y399-F403 PolarHBondContact O-N 3.48Å; S400-F403 PolarHBondContact O-N 3.33Å; K401-F403 VanDerWaalsContact C-N 3.35Å; K401-F403 PolarHBondContact O-N 3.3Å; F403-F406 PolarHBondContact O-N 3.05Å; F403-M407 HydrophobicContact CD1-CG 4.4Å; F403-M407 HydrophobicContact CD2-CE 3.74Å; F403-M407 HydrophobicContact CE1-CE 4.39Å; F403-M407 HydrophobicContact CE1-CG 4.27Å; F403-M407 HydrophobicContact CE2-CE 3.44Å; F403-M407 VanDerWaalsContact CE2-CE 3.44Å; F403-M407 HydrophobicContact CG-CE 4.32Å; F403-M407 HydrophobicContact CZ-CE 3.82Å; F403-M407 HydrophobicContact CZ-CG 4.49Å; F403-M407 VanDerWaalsContact O-CG 3.32Å; F403-M407 WeakPolarHBondContact O-CG 3.28Å; F403-M407 PolarHBondContact O-N 3.08Å
404	Y	96.5	Very high	90.9	Very high	65 Å²	65	48.1 Å²	48.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-47.6	177.7	178.7	-95.8	0	0	0	112.7	L256 L259 K260 S400 K401 F406 M407 S408	L256-Y404 HydrophobicContact CB-CE2 4.32Å; L256-Y404 HydrophobicContact CD2-CE2 4.13Å; L256-Y404 WeakPolarHBondContact O-CE2 3.39Å; L259-Y404 HydrophobicContact CD2-CD2 4.02Å; L259-Y404 HydrophobicContact CG-CD2 4.21Å; K260-Y404 HydrophobicContact CB-CD2 4.16Å; K260-Y404 HydrophobicContact CB-CE2 3.69Å; K260-Y404 HydrophobicContact CG-CE2 4.38Å; S400-Y404 VanDerWaalsContact O-CB 3.31Å; S400-Y404 WeakPolarHBondContact O-CB 3.47Å; S400-Y404 PolarHBondContact O-N 3.06Å; K401-Y404 PolarHBondContact O-N 3.48Å; Y404-F406 VanDerWaalsContact C-N 3.34Å; Y404-F406 PolarHBondContact O-N 3.44Å; Y404-M407 PolarHBondContact O-N 3.01Å; Y404-S408 WeakPolarHBondContact O-CB 3.34Å; Y404-S408 PolarHBondContact O-N 3.46Å
405	E	95.6	Very high	91.9	Very high	93 Å²	93	50 Å²	50	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-43.5	179.2	-74.7	173.7	177.5	0	0	111.6	K401 R402 S408 N409	K401-E405 WeakPolarHBondContact CE-OE1 3.48Å; K401-E405 IonicContact NZ-OE1 2.86Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 WeakPolarHBondContact O-CG 3.36Å; K401-E405 PolarHBondContact O-N 2.9Å; R402-E405 PolarHBondContact O-N 3.35Å; E405-S408 PolarHBondContact O-N 2.93Å; E405-N409 PolarHBondContact O-N 3.08Å; E405-N409 PolarHBondContact O-ND2 3.23Å
406	F	94.8	Very high	92.4	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-49.3	175.8	-178.4	-94.8	0	0	0	112	L212 G214 D235 L239 R402 F403 Y404 S408 N409 I410	L212-F406 HydrophobicContact CB-CE1 4.17Å; L212-F406 HydrophobicContact CD1-CE1 4.35Å; L212-F406 HydrophobicContact CD2-CE1 4.43Å; G214-F406 VanDerWaalsContact CA-CB 3.45Å; D235-F406 HydrophobicContact CB-CZ 4.06Å; L239-F406 HydrophobicContact CD1-CE2 4.17Å; L239-F406 HydrophobicContact CD2-CE2 4.15Å; L239-F406 HydrophobicContact CG-CE2 4.28Å; R402-F406 WeakPolarHBondContact O-CB 3.49Å; R402-F406 PolarHBondContact O-N 2.98Å; F403-F406 PolarHBondContact O-N 3.05Å; Y404-F406 VanDerWaalsContact C-N 3.34Å; Y404-F406 PolarHBondContact O-N 3.44Å; F406-S408 VanDerWaalsContact C-N 3.29Å; F406-S408 PolarHBondContact O-N 2.88Å; F406-N409 PolarHBondContact O-N 2.75Å; F406-N409 VanDerWaalsContact O-N 3.08Å; F406-I410 HydrophobicContact CD1-CD1 4.5Å; F406-I410 HydrophobicContact CD1-CG2 4.41Å; F406-I410 HydrophobicContact CE1-CD1 4.17Å; F406-I410 HydrophobicContact CE1-CG2 3.99Å; F406-I410 HydrophobicContact CE2-CG2 4.45Å; F406-I410 HydrophobicContact CZ-CG2 4.02Å; F406-I410 PolarHBondContact O-N 3.03Å
407	M	95.5	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-38.9	179.3	-61.1	-46.2	155.4	0	0	111.7	L212 L259 L276 F403 Y404 N409 I410 L411	L212-M407 HydrophobicContact CB-CE 3.63Å; L212-M407 HydrophobicContact CB-SD 4.22Å; L212-M407 HydrophobicContact CD1-SD 4.42Å; L259-M407 HydrophobicContact CD2-CB 3.53Å; L259-M407 HydrophobicContact CD2-CG 3.9Å; L276-M407 HydrophobicContact CB-CE 3.72Å; L276-M407 HydrophobicContact CB-SD 3.95Å; L276-M407 HydrophobicContact CD2-CE 4.42Å; L276-M407 HydrophobicContact CD2-CG 4.05Å; L276-M407 HydrophobicContact CD2-SD 3.51Å; L276-M407 VanDerWaalsContact CD2-SD 3.51Å; L276-M407 HydrophobicContact CG-SD 4.38Å; F403-M407 HydrophobicContact CD1-CG 4.4Å; F403-M407 HydrophobicContact CD2-CE 3.74Å; F403-M407 HydrophobicContact CE1-CE 4.39Å; F403-M407 HydrophobicContact CE1-CG 4.27Å; F403-M407 HydrophobicContact CE2-CE 3.44Å; F403-M407 VanDerWaalsContact CE2-CE 3.44Å; F403-M407 HydrophobicContact CG-CE 4.32Å; F403-M407 HydrophobicContact CZ-CE 3.82Å; F403-M407 HydrophobicContact CZ-CG 4.49Å; F403-M407 VanDerWaalsContact O-CG 3.32Å; F403-M407 WeakPolarHBondContact O-CG 3.28Å; F403-M407 PolarHBondContact O-N 3.08Å; Y404-M407 PolarHBondContact O-N 3.01Å; M407-N409 PolarHBondContact O-N 3.09Å; M407-I410 VanDerWaalsContact O-CG1 3.24Å; M407-I410 WeakPolarHBondContact O-CG1 3.47Å; M407-I410 PolarHBondContact O-N 2.9Å; M407-I410 HydrophobicContact SD-CD1 3.76Å; M407-L411 WeakPolarHBondContact O-CD1 3.47Å; M407-L411 WeakPolarHBondContact O-CG 3.35Å; M407-L411 PolarHBondContact O-N 3.44Å
408	S	94.9	Very high	93	Very high	32 Å²	32	46 Å²	46	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-29.3	176.1	-174.3	0	0	0	0	113.4	Y404 E405 F406	Y404-S408 WeakPolarHBondContact O-CB 3.34Å; Y404-S408 PolarHBondContact O-N 3.46Å; E405-S408 PolarHBondContact O-N 2.93Å; F406-S408 VanDerWaalsContact C-N 3.29Å; F406-S408 PolarHBondContact O-N 2.88Å
409	N	93.5	Very high	93.3	Very high	110 Å²	110	41 Å²	41	59%	0.588	21%	0.206	S	C	*	.	H	α-helix	trans	-82.5	-30.4	-177.9	-70.3	-21.8	0	0	0	113.4	E405 F406 M407	E405-N409 PolarHBondContact O-N 3.08Å; E405-N409 PolarHBondContact O-ND2 3.23Å; F406-N409 PolarHBondContact O-N 2.75Å; F406-N409 VanDerWaalsContact O-N 3.08Å; M407-N409 PolarHBondContact O-N 3.09Å
410	I	92.6	Very high	93.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-83.8	-18.5	-178.7	66.2	172.5	0	0	0	113.6	L212 F238 K244 L245 F406 M407	L212-I410 HydrophobicContact CD1-CD1 3.49Å; L212-I410 VanDerWaalsContact CD1-CD1 3.49Å; F238-I410 HydrophobicContact CD1-CB 4.47Å; F238-I410 HydrophobicContact CD1-CG2 3.99Å; F238-I410 HydrophobicContact CE1-CB 3.56Å; F238-I410 HydrophobicContact CE1-CD1 4.44Å; F238-I410 HydrophobicContact CE1-CG2 3.52Å; F238-I410 HydrophobicContact CZ-CB 3.94Å; F238-I410 HydrophobicContact CZ-CD1 4.41Å; F238-I410 HydrophobicContact CZ-CG2 4.36Å; K244-I410 WeakPolarHBondContact CA-O 3.19Å; K244-I410 WeakPolarHBondContact CB-O 3.28Å; L245-I410 HydrophobicContact CD1-CD1 4.49Å; L245-I410 PolarHBondContact N-O 3.33Å; F406-I410 HydrophobicContact CD1-CD1 4.5Å; F406-I410 HydrophobicContact CD1-CG2 4.41Å; F406-I410 HydrophobicContact CE1-CD1 4.17Å; F406-I410 HydrophobicContact CE1-CG2 3.99Å; F406-I410 HydrophobicContact CE2-CG2 4.45Å; F406-I410 HydrophobicContact CZ-CG2 4.02Å; F406-I410 PolarHBondContact O-N 3.03Å; M407-I410 VanDerWaalsContact O-CG1 3.24Å; M407-I410 WeakPolarHBondContact O-CG1 3.47Å; M407-I410 PolarHBondContact O-N 2.9Å; M407-I410 HydrophobicContact SD-CD1 3.76Å
411	L	91.3	Very high	93.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-86.1	134.8	176.6	-64.1	156.8	0	0	0	110.1	L245 I247 K252 F255 L256 M361 M407	L245-L411 HydrophobicContact CB-CD2 4.03Å; L245-L411 HydrophobicContact CD1-CD2 4.05Å; I247-L411 HydrophobicContact CD1-CD2 3.59Å; I247-L411 HydrophobicContact CD1-CG 4.48Å; I247-L411 HydrophobicContact CG1-CD2 4.18Å; K252-L411 HydrophobicContact CD-CB 4.13Å; K252-L411 WeakPolarHBondContact CE-O 3.42Å; K252-L411 HydrophobicContact CG-CB 4.16Å; K252-L411 PolarHBondContact NZ-O 3.07Å; F255-L411 HydrophobicContact CD1-CD1 3.52Å; F255-L411 HydrophobicContact CE1-CD1 3.67Å; L256-L411 HydrophobicContact CD2-CD1 3.88Å; L256-L411 HydrophobicContact CG-CD1 4.35Å; M361-L411 HydrophobicContact CE-CD2 4.27Å; M361-L411 HydrophobicContact SD-CD2 4.15Å; M407-L411 WeakPolarHBondContact O-CD1 3.47Å; M407-L411 WeakPolarHBondContact O-CG 3.35Å; M407-L411 PolarHBondContact O-N 3.44Å
412	S	84.2	Confident	93.5	Very high	61 Å²	61	38.9 Å²	38.9	43%	0.427	20%	0.201	S	C	.	.			trans	-125.7	0	177.9	-168.3	0	0	0	0	113.5	L245 Q246 I247 G248	L245-S412 PolarHBondContact O-N 3.09Å; Q246-S412 CarbonylContact C-O 3.45Å; Q246-S412 WeakPolarHBondContact CA-O 3.39Å; I247-S412 PolarHBondContact N-O 2.68Å; G248-S412 PolarHBondContact N-O 3.4Å; G248-S412 VanDerWaalsContact N-O 3.08Å

Retrieved 412 of 412 residues in 73.9 ms (Link to these results)

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