A0A087YG11_POEFO Loading...

Porphobilinogen deaminase

As part of the heme biosynthetic pathway, catalyzes the sequential polymerization of four molecules of porphobilinogen to form hydroxymethylbilane, also known as preuroporphyrinogen. Catalysis begins with the assembly of the dipyrromethane cofactor by the apoenzyme from two molecules of porphobilinogen or from preuroporphyrinogen. The covalently linked cofactor acts as a primer, around which the tetrapyrrole product is assembled. In the last step of catalysis, the product, preuroporphyrinogen, is released, leaving the cofactor bound to the holodeaminase intact.

AlphaFold DB , UniProt , Accession A0A087YG11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	40.2	Very low	248 Å²	248	139.7 Å²	139.7	100%	1.222	80%	0.795	S	S	*	*				0	88.4	0	-72.5	175.4	64.1	0	0	106.5
2	S	35.2	Very low	40.5	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	79%	0.789	S	S	*	*			trans	-108.2	120.5	-178.3	40.1	0	0	0	0	107	E4	S2-E4 PolarHBondContact O-N 3.18Å
3	E	35.2	Very low	41.2	Very low	192 Å²	192	134.5 Å²	134.5	90%	0.897	78%	0.775	S	S	*	*			trans	-64.9	118.9	-179.5	-73.2	171.3	147.5	0	0	110.1	T5	E3-T5 PolarHBondContact O-N 3.12Å
4	E	41.1	Very low	41.8	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	76%	0.762	S	S	*	*			trans	-66.4	112.3	163.2	-73.1	175.3	155.7	0	0	107.9	S2 S6	S2-E4 PolarHBondContact O-N 3.18Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.22Å
5	T	40	Very low	43.2	Very low	136 Å²	136	124.9 Å²	124.9	83%	0.834	72%	0.724	S	S	*	*			trans	-72.1	85.5	170.3	41.4	0	0	0	0	109.2	E3	E3-T5 PolarHBondContact O-N 3.12Å
6	S	40.7	Very low	45.5	Very low	64 Å²	64	123.6 Å²	123.6	45%	0.448	70%	0.704	S	S	.	*			trans	-83.2	113.5	169.7	63.3	0	0	0	0	110	E4 Q8	E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.22Å; S6-Q8 PolarHBondContact O-N 2.69Å
7	S	42.9	Very low	48.3	Very low	68 Å²	68	118.7 Å²	118.7	48%	0.476	68%	0.676	S	S	.	*			trans	-79.4	113.6	164	53.3	0	0	0	0	109
8	Q	38.3	Very low	50.9	Low	161 Å²	161	112.2 Å²	112.2	75%	0.752	64%	0.639	S	S	*	*	B	Isolated β-bridge	trans	-84.2	116.2	175.9	-73.1	-177.3	-9.9	0	0	110.1	S6	S6-Q8 PolarHBondContact O-N 2.69Å
9	D	45.4	Very low	53.4	Low	119 Å²	119	110 Å²	110	64%	0.636	62%	0.62	S	S	*	*			trans	-77.6	148.1	158.9	-82.7	-23.6	0	0	0	109.6	N11 G12	D9-N11 PolarHBondContact O-N 3.35Å; D9-G12 PolarHBondContact O-N 3.03Å; D9-G12 VanDerWaalsContact O-N 3.15Å
10	G	44.2	Very low	55.7	Low	96 Å²	96	104.5 Å²	104.5	99%	0.99	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	19.8	-171.5	0	0	0	0	0	117.5
11	N	46.2	Very low	57.7	Low	157 Å²	157	99.5 Å²	99.5	84%	0.84	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	10.6	176.6	-134.6	18.7	0	0	0	113.8	D9 K13	D9-N11 PolarHBondContact O-N 3.35Å; N11-K13 VanDerWaalsContact C-N 3.29Å; N11-K13 PolarHBondContact O-N 3.17Å
12	G	43.3	Very low	60.6	Low	70 Å²	70	87.8 Å²	87.8	72%	0.722	50%	0.503	S	S	*	.	S	Bend	trans	73.7	6.3	170.1	0	0	0	0	0	116.5	D9	D9-G12 PolarHBondContact O-N 3.03Å; D9-G12 VanDerWaalsContact O-N 3.15Å
13	K	50.6	Low	63.3	Low	141 Å²	141	84.2 Å²	84.2	61%	0.613	47%	0.472	S	S	*	.			trans	-83.4	117.4	166.2	-90.9	-175.6	170.9	-174.4	0	108.9	N11 S15 D45	N11-K13 VanDerWaalsContact C-N 3.29Å; N11-K13 PolarHBondContact O-N 3.17Å; K13-S15 PolarHBondContact O-N 3.11Å; K13-S15 VanDerWaalsContact O-N 3.1Å; K13-D45 IonicContact NZ-OD2 2.8Å; K13-D45 PolarHBondContact NZ-OD2 3.07Å
14	V	49.3	Very low	65.9	Low	98 Å²	98	81.3 Å²	81.3	59%	0.594	46%	0.456	S	S	*	.	B	Isolated β-bridge	trans	-69.3	103	166.6	-179.4	0	0	0	0	107.2	R16	V14-R16 PolarHBondContact O-N 2.86Å
15	S	62.8	Low	68.1	Low	27 Å²	27	74 Å²	74	19%	0.189	43%	0.425	C	S	.	.			trans	-76.1	112.4	170.9	101.8	0	0	0	0	107.3	K13 V17	K13-S15 PolarHBondContact O-N 3.11Å; K13-S15 VanDerWaalsContact O-N 3.1Å; S15-V17 PolarHBondContact O-N 2.61Å
16	R	79.3	Confident	70.7	Confident	105 Å²	105	72.2 Å²	72.2	40%	0.396	41%	0.407	S	S	.	.			trans	-67.5	122.7	173.5	-176	174.3	175.2	172.7	-3.7	108	V14 I18 D227	V14-R16 PolarHBondContact O-N 2.86Å; R16-I18 HydrophobicContact CG-CD1 4.08Å; R16-D227 IonicContact CZ-OD2 3.77Å; R16-D227 IonicContact NH1-OD2 3.47Å; R16-D227 PolarHBondContact NH1-OD2 3.48Å; R16-D227 IonicContact NH2-OD2 2.74Å
17	V	92.8	Very high	73.2	Confident	40 Å²	40	71 Å²	71	24%	0.242	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.5	172.1	-179.8	0	0	0	0	108.5	S15 R19 H47 E49	S15-V17 PolarHBondContact O-N 2.61Å; V17-R19 HydrophobicContact CG1-CG 4.18Å; V17-H47 CarbonylContact C-O 3.56Å; V17-H47 WeakPolarHBondContact CA-O 3.43Å; V17-H47 HydrophobicContact CG2-CB 4.2Å; V17-E49 HydrophobicContact CG1-CB 3.97Å
18	I	96.7	Very high	75.7	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	174.4	-54.9	-60.3	0	0	0	108.1	R16 F46 H47 L48 E49 D88 L89 I228 M231	R16-I18 HydrophobicContact CG-CD1 4.08Å; I18-F46 HydrophobicContact CG1-CD2 4.23Å; I18-H47 PolarHBondContact N-O 2.95Å; I18-L48 HydrophobicContact CB-CD2 3.74Å; I18-L48 HydrophobicContact CG1-CD2 4.23Å; I18-L48 HydrophobicContact CG2-CD2 4.21Å; I18-L48 WeakPolarHBondContact O-CA 3.45Å; I18-E49 PolarHBondContact O-N 2.87Å; I18-D88 HydrophobicContact CG2-CB 4.37Å; I18-L89 HydrophobicContact CG2-CD2 3.77Å; I18-I228 HydrophobicContact CD1-CD1 3.85Å; I18-I228 HydrophobicContact CG2-CD1 4.46Å; I18-M231 HydrophobicContact CD1-SD 4.22Å; I18-M231 HydrophobicContact CG1-SD 4.09Å; I18-M231 HydrophobicContact CG2-CE 3.84Å; I18-M231 HydrophobicContact CG2-SD 4.46Å
19	R	98.1	Very high	78.4	Confident	70 Å²	70	65.5 Å²	65.5	26%	0.264	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.3	-176.4	-63.9	160.1	-62.6	164.3	7.2	110.4	V17 E49 V51 N85 E86 V87 D88 L89	V17-R19 HydrophobicContact CG1-CG 4.18Å; R19-E49 CarbonylContact C-O 3.47Å; R19-E49 WeakPolarHBondContact CA-O 3.47Å; R19-E49 HydrophobicContact CG-CB 4.27Å; R19-V51 HydrophobicContact CB-CG2 4.24Å; R19-N85 PolarHBondContact NH1-O 3.41Å; R19-N85 PolarHBondContact NH2-O 3.49Å; R19-E86 WeakPolarHBondContact CD-O 3.17Å; R19-E86 PolarHBondContact NH1-O 3.32Å; R19-V87 HydrophobicContact CB-CB 4.41Å; R19-D88 WeakPolarHBondContact CB-OD2 3.31Å; R19-D88 IonicContact CZ-OD1 3.94Å; R19-D88 IonicContact CZ-OD2 3.69Å; R19-D88 PolarHBondContact N-OD2 3.3Å; R19-D88 IonicContact NE-OD1 3.47Å; R19-D88 IonicContact NE-OD2 3.02Å; R19-D88 PolarHBondContact NE-OD2 2.93Å; R19-D88 IonicContact NH2-OD1 3.85Å; R19-D88 PolarHBondContact NH2-OD1 3.01Å; R19-D88 IonicContact NH2-OD2 3.35Å; R19-D88 PolarHBondContact NH2-OD2 2.84Å; R19-D88 PolarHBondContact O-N 3.33Å; R19-L89 PolarHBondContact O-N 3.27Å
20	I	98.3	Very high	80.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.3	-176.3	-52.2	179.7	0	0	0	109.1	T32 A36 L39 L48 E49 I50 V51 L89 V91	I20-T32 HydrophobicContact CB-CG2 4.37Å; I20-T32 HydrophobicContact CG2-CG2 3.43Å; I20-T32 VanDerWaalsContact CG2-CG2 3.43Å; I20-A36 HydrophobicContact CD1-CB 3.82Å; I20-L39 HydrophobicContact CD1-CD1 4.45Å; I20-L48 HydrophobicContact CD1-CB 4.36Å; I20-L48 HydrophobicContact CD1-CD1 4.35Å; I20-E49 PolarHBondContact N-O 2.99Å; I20-I50 WeakPolarHBondContact O-CA 3.3Å; I20-V51 PolarHBondContact O-N 2.91Å; I20-L89 CarbonylContact C-O 3.57Å; I20-L89 WeakPolarHBondContact CA-O 3.18Å; I20-L89 HydrophobicContact CB-CD1 4.18Å; I20-L89 HydrophobicContact CB-CG 4.47Å; I20-L89 HydrophobicContact CD1-CD1 4.34Å; I20-L89 HydrophobicContact CG1-CD1 3.91Å; I20-L89 HydrophobicContact CG1-CD2 4.25Å; I20-L89 HydrophobicContact CG1-CG 4.01Å; I20-L89 HydrophobicContact CG2-CD1 3.55Å; I20-L89 HydrophobicContact CG2-CG 4.31Å; I20-V91 HydrophobicContact CG2-CG2 4.13Å
21	G	97.4	Very high	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.1	175.1	0	0	0	0	0	112.1	V51 L89 V90 V91	G21-V51 WeakPolarHBondContact CA-O 3.41Å; G21-L89 PolarHBondContact N-O 2.93Å; G21-V90 WeakPolarHBondContact O-CG1 3.45Å; G21-V91 PolarHBondContact O-N 3.2Å
22	T	95.4	Very high	86	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.7	173.6	-179.6	0	0	0	0	112	A28 T32 I50 V51 A52 M53	T22-A28 PolarHBondContact OG1-O 2.98Å; T22-T32 WeakPolarHBondContact CB-OG1 3.38Å; T22-T32 HydrophobicContact CG2-CG2 4.28Å; T22-T32 PolarHBondContact OG1-OG1 3.37Å; T22-I50 HydrophobicContact CG2-CG2 3.58Å; T22-V51 PolarHBondContact N-O 2.99Å; T22-A52 HydrophobicContact CG2-CB 4.19Å; T22-A52 CarbonylContact O-C 3.55Å; T22-A52 WeakPolarHBondContact O-CA 3.42Å; T22-M53 PolarHBondContact O-N 3.13Å
23	R	92	Very high	88.6	Confident	41 Å²	41	49.5 Å²	49.5	16%	0.155	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	154	164.1	-64.7	173.1	52.9	-165	1	110.9	S25 A28 M53 T55 D58 F74 L78	R23-S25 PolarHBondContact O-N 2.74Å; R23-A28 HydrophobicContact CB-CB 3.74Å; R23-M53 WeakPolarHBondContact CA-O 3.49Å; R23-T55 HydrophobicContact CG-CG2 3.75Å; R23-D58 IonicContact CZ-OD1 2.69Å; R23-D58 IonicContact NE-OD1 3.14Å; R23-D58 PolarHBondContact NE-OD1 3.06Å; R23-D58 IonicContact NE-OD2 2.93Å; R23-D58 PolarHBondContact NE-OD2 3.41Å; R23-D58 IonicContact NH2-OD1 3.35Å; R23-D58 PolarHBondContact NH2-OD1 3.45Å; R23-D58 IonicContact NH2-OD2 3.47Å; R23-F74 VanDerWaalsContact NH1-CD1 3.33Å; R23-F74 VanDerWaalsContact NH2-CE1 3.26Å; R23-L78 HydrophobicContact CG-CD1 3.95Å
24	K	88.4	Confident	90.9	Very high	130 Å²	130	44.8 Å²	44.8	57%	0.565	22%	0.219	S	C	*	.	S	Bend	trans	-69.4	-12.2	173.5	-74.1	176.8	-176.2	169.2	0	114.9	A52 M53 S54	K24-A52 HydrophobicContact CG-CB 4.2Å; K24-M53 PolarHBondContact N-O 3.04Å; K24-M53 VanDerWaalsContact N-O 3.09Å; K24-S54 WeakPolarHBondContact CD-OG 3.1Å; K24-S54 PolarHBondContact NZ-OG 3.4Å
25	S	88.6	Confident	93.2	Very high	27 Å²	27	40.1 Å²	40.1	19%	0.189	19%	0.19	C	C	.	.	S	Bend	trans	-62.3	139.6	179.1	82.9	0	0	0	0	111.1	R23 L27 A28 R29	R23-S25 PolarHBondContact O-N 2.74Å; S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 PolarHBondContact O-N 3.4Å; S25-A28 PolarHBondContact O-N 3.39Å; S25-A28 WeakPolarHBondContact OG-CB 3.49Å; S25-A28 PolarHBondContact OG-N 3.47Å; S25-R29 PolarHBondContact O-N 3.48Å
26	Q	93.5	Very high	94.8	Very high	100 Å²	100	39.3 Å²	39.3	47%	0.467	19%	0.185	S	C	.	.	H	α-helix	trans	-54	-43.7	-177.9	-175.5	-179.7	7.8	0	0	112.6	R29 I30 N168 M193	Q26-R29 PolarHBondContact O-N 2.88Å; Q26-I30 HydrophobicContact CG-CD1 4.03Å; Q26-I30 WeakPolarHBondContact O-CG1 3.2Å; Q26-I30 PolarHBondContact O-N 2.81Å; Q26-N168 PolarHBondContact OE1-ND2 2.99Å; Q26-M193 HydrophobicContact CB-CE 4.44Å; Q26-M193 HydrophobicContact CG-CE 4.04Å; Q26-M193 HydrophobicContact CG-SD 4.35Å
27	L	94.8	Very high	95.7	Very high	37 Å²	37	38.8 Å²	38.8	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-41.6	178.3	-179.9	63.7	0	0	0	112	S25 R29 I30 Q31 L167 R192 M193	S25-L27 VanDerWaalsContact C-N 3.28Å; S25-L27 PolarHBondContact O-N 3.4Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.39Å; L27-I30 PolarHBondContact O-N 2.97Å; L27-Q31 HydrophobicContact CD1-CG 4.38Å; L27-Q31 HydrophobicContact CG-CG 4.49Å; L27-Q31 WeakPolarHBondContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.06Å; L27-L167 HydrophobicContact CD2-CD1 3.84Å; L27-R192 HydrophobicContact CD1-CB 3.71Å; L27-M193 HydrophobicContact CB-SD 3.95Å; L27-M193 HydrophobicContact CD1-CG 4.17Å; L27-M193 HydrophobicContact CD1-SD 4.04Å
28	A	94.1	Very high	95.9	Very high	9 Å²	9	41.8 Å²	41.8	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-38.3	177.1	0	0	0	0	0	111.4	T22 R23 S25 Q31 T32	T22-A28 PolarHBondContact OG1-O 2.98Å; R23-A28 HydrophobicContact CB-CB 3.74Å; S25-A28 PolarHBondContact O-N 3.39Å; S25-A28 WeakPolarHBondContact OG-CB 3.49Å; S25-A28 PolarHBondContact OG-N 3.47Å; A28-Q31 PolarHBondContact O-N 3.47Å; A28-T32 WeakPolarHBondContact O-CB 3.43Å; A28-T32 PolarHBondContact O-N 3Å; A28-T32 PolarHBondContact O-OG1 2.96Å
29	R	96	Very high	95.9	Very high	105 Å²	105	41.8 Å²	41.8	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-49.5	175.1	-175.9	53.9	179.8	-102.8	2.9	111.7	S25 Q26 L27 Q31 T32 D33	S25-R29 PolarHBondContact O-N 3.48Å; Q26-R29 PolarHBondContact O-N 2.88Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.39Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.97Å; R29-T32 WeakPolarHBondContact O-CB 3.33Å; R29-T32 PolarHBondContact O-N 2.73Å; R29-T32 VanDerWaalsContact O-N 3.08Å; R29-D33 WeakPolarHBondContact CD-OD1 3.49Å; R29-D33 WeakPolarHBondContact CG-OD2 3.34Å; R29-D33 IonicContact CZ-OD1 2.93Å; R29-D33 IonicContact NE-OD1 3.82Å; R29-D33 PolarHBondContact NE-OD1 3.45Å; R29-D33 IonicContact NE-OD2 3.92Å; R29-D33 PolarHBondContact NE-OD2 3.26Å; R29-D33 IonicContact NH2-OD1 2.86Å; R29-D33 PolarHBondContact O-N 3.44Å
30	I	97.9	Very high	95.7	Very high	49 Å²	49	44.8 Å²	44.8	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-42.2	175.9	-68.9	165.1	0	0	0	111.7	Q26 L27 T32 S34 R192 M193	Q26-I30 HydrophobicContact CG-CD1 4.03Å; Q26-I30 WeakPolarHBondContact O-CG1 3.2Å; Q26-I30 PolarHBondContact O-N 2.81Å; L27-I30 PolarHBondContact O-N 2.97Å; I30-T32 VanDerWaalsContact C-N 3.34Å; I30-S34 WeakPolarHBondContact O-CB 3.26Å; I30-S34 PolarHBondContact O-N 3.2Å; I30-R192 HydrophobicContact CG2-CB 4.26Å; I30-R192 WeakPolarHBondContact CG2-O 3.38Å; I30-M193 HydrophobicContact CD1-SD 3.82Å
31	Q	98.1	Very high	95.6	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-44	177	-71.7	173.7	-0.3	0	0	111.3	L27 A28 R29 S34 V35 V91 S93 L217	L27-Q31 HydrophobicContact CD1-CG 4.38Å; L27-Q31 HydrophobicContact CG-CG 4.49Å; L27-Q31 WeakPolarHBondContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.06Å; A28-Q31 PolarHBondContact O-N 3.47Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.97Å; Q31-S34 PolarHBondContact O-N 2.57Å; Q31-S34 PolarHBondContact O-OG 3.08Å; Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.98Å; Q31-V91 HydrophobicContact CB-CG1 4.26Å; Q31-S93 PolarHBondContact NE2-OG 3.02Å; Q31-S93 PolarHBondContact OE1-OG 2.92Å; Q31-L217 HydrophobicContact CB-CD1 4.04Å; Q31-L217 HydrophobicContact CB-CD2 3.96Å; Q31-L217 VanDerWaalsContact CD-CD2 3.49Å; Q31-L217 HydrophobicContact CG-CD1 4.2Å; Q31-L217 HydrophobicContact CG-CD2 3.67Å
32	T	98.3	Very high	95.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-47.4	178.3	-59.2	0	0	0	0	111.9	I20 T22 A28 R29 I30 S34 V35 A36 I50 V91	I20-T32 HydrophobicContact CB-CG2 4.37Å; I20-T32 HydrophobicContact CG2-CG2 3.43Å; I20-T32 VanDerWaalsContact CG2-CG2 3.43Å; T22-T32 WeakPolarHBondContact CB-OG1 3.38Å; T22-T32 HydrophobicContact CG2-CG2 4.28Å; T22-T32 PolarHBondContact OG1-OG1 3.37Å; A28-T32 WeakPolarHBondContact O-CB 3.43Å; A28-T32 PolarHBondContact O-N 3Å; A28-T32 PolarHBondContact O-OG1 2.96Å; R29-T32 WeakPolarHBondContact O-CB 3.33Å; R29-T32 PolarHBondContact O-N 2.73Å; R29-T32 VanDerWaalsContact O-N 3.08Å; I30-T32 VanDerWaalsContact C-N 3.34Å; T32-S34 VanDerWaalsContact C-N 3.26Å; T32-S34 PolarHBondContact O-N 3.2Å; T32-V35 PolarHBondContact O-N 3.35Å; T32-A36 WeakPolarHBondContact O-CB 3.31Å; T32-A36 PolarHBondContact O-N 2.95Å; T32-I50 HydrophobicContact CG2-CD1 4.36Å; T32-I50 HydrophobicContact CG2-CG1 4.46Å; T32-I50 HydrophobicContact CG2-CG2 4.2Å; T32-V91 HydrophobicContact CG2-CG2 4.34Å
33	D	98.1	Very high	95.3	Very high	49 Å²	49	59.5 Å²	59.5	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-43.4	176.7	-63	-28.1	0	0	0	109.7	R29 V35 A36 D37 I50	R29-D33 WeakPolarHBondContact CD-OD1 3.49Å; R29-D33 WeakPolarHBondContact CG-OD2 3.34Å; R29-D33 IonicContact CZ-OD1 2.93Å; R29-D33 IonicContact NE-OD1 3.82Å; R29-D33 PolarHBondContact NE-OD1 3.45Å; R29-D33 IonicContact NE-OD2 3.92Å; R29-D33 PolarHBondContact NE-OD2 3.26Å; R29-D33 IonicContact NH2-OD1 2.86Å; R29-D33 PolarHBondContact O-N 3.44Å; D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 3.33Å; D33-A36 PolarHBondContact O-N 3.14Å; D33-A36 VanDerWaalsContact O-N 3.16Å; D33-D37 WeakPolarHBondContact O-CB 3.5Å; D33-D37 VanDerWaalsContact O-CG 3.25Å; D33-D37 PolarHBondContact O-N 3.38Å; D33-I50 WeakPolarHBondContact OD1-CD1 3.26Å
34	S	98.1	Very high	95.2	Very high	43 Å²	43	62.3 Å²	62.3	30%	0.301	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-28.6	177.7	77.5	0	0	0	0	114.7	I30 Q31 T32 K38	I30-S34 WeakPolarHBondContact O-CB 3.26Å; I30-S34 PolarHBondContact O-N 3.2Å; Q31-S34 PolarHBondContact O-N 2.57Å; Q31-S34 PolarHBondContact O-OG 3.08Å; T32-S34 VanDerWaalsContact C-N 3.26Å; T32-S34 PolarHBondContact O-N 3.2Å; S34-K38 WeakPolarHBondContact O-CG 3.5Å
35	V	98.1	Very high	95.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-79.4	-42.2	173.9	173.4	0	0	0	0	110.1	Q31 T32 D33 D37 K38 L39 V91 L111 L217 V219 L235	Q31-V35 WeakPolarHBondContact O-CG2 3.42Å; Q31-V35 PolarHBondContact O-N 2.98Å; T32-V35 PolarHBondContact O-N 3.35Å; D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 3.33Å; V35-D37 VanDerWaalsContact C-N 3.35Å; V35-D37 PolarHBondContact O-N 3.39Å; V35-K38 PolarHBondContact O-N 3.05Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.49Å; V35-V91 HydrophobicContact CB-CG1 4.49Å; V35-V91 HydrophobicContact CB-CG2 3.82Å; V35-V91 HydrophobicContact CG1-CG2 3.9Å; V35-V91 HydrophobicContact CG2-CB 4.46Å; V35-V91 HydrophobicContact CG2-CG1 3.7Å; V35-V91 HydrophobicContact CG2-CG2 3.86Å; V35-L111 HydrophobicContact CG2-CD1 4.47Å; V35-L111 HydrophobicContact CG2-CD2 3.78Å; V35-L217 HydrophobicContact CG2-CD1 4.3Å; V35-V219 HydrophobicContact CG1-CG2 4.01Å; V35-L235 HydrophobicContact CG1-CD1 3.98Å
36	A	97.6	Very high	95.3	Very high	9 Å²	9	63.1 Å²	63.1	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-42.9	177.4	0	0	0	0	0	111.4	I20 T32 D33 K38 L39 K40 L48 I50	I20-A36 HydrophobicContact CD1-CB 3.82Å; T32-A36 WeakPolarHBondContact O-CB 3.31Å; T32-A36 PolarHBondContact O-N 2.95Å; D33-A36 PolarHBondContact O-N 3.14Å; D33-A36 VanDerWaalsContact O-N 3.16Å; A36-K38 VanDerWaalsContact C-N 3.35Å; A36-K38 PolarHBondContact O-N 3.31Å; A36-L39 PolarHBondContact O-N 2.93Å; A36-K40 VanDerWaalsContact O-CB 3.31Å; A36-K40 WeakPolarHBondContact O-CB 3.38Å; A36-K40 PolarHBondContact O-N 3.05Å; A36-L48 HydrophobicContact CB-CD1 4.16Å; A36-L48 WeakPolarHBondContact O-CD1 3.47Å; A36-I50 HydrophobicContact CB-CD1 4.43Å
37	D	97.1	Very high	95.2	Very high	95 Å²	95	63.3 Å²	63.3	51%	0.508	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-45.5	176.6	-71.1	-22.6	0	0	0	111.2	D33 V35 L39 K40 E41	D33-D37 WeakPolarHBondContact O-CB 3.5Å; D33-D37 VanDerWaalsContact O-CG 3.25Å; D33-D37 PolarHBondContact O-N 3.38Å; V35-D37 VanDerWaalsContact C-N 3.35Å; V35-D37 PolarHBondContact O-N 3.39Å; D37-L39 PolarHBondContact O-N 2.95Å; D37-K40 PolarHBondContact O-N 2.89Å; D37-E41 WeakPolarHBondContact O-CG 3.37Å; D37-E41 PolarHBondContact O-N 2.81Å
38	K	97.2	Very high	95.3	Very high	103 Å²	103	63.3 Å²	63.3	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.5	-73.8	176.3	175	-65.1	0	112.8	S34 V35 A36 K40 E41 L42 L111 L235	S34-K38 WeakPolarHBondContact O-CG 3.5Å; V35-K38 PolarHBondContact O-N 3.05Å; A36-K38 VanDerWaalsContact C-N 3.35Å; A36-K38 PolarHBondContact O-N 3.31Å; K38-K40 VanDerWaalsContact C-N 3.32Å; K38-E41 PolarHBondContact O-N 3.45Å; K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 2.97Å; K38-L111 HydrophobicContact CD-CD2 4.03Å; K38-L235 HydrophobicContact CB-CD2 3.94Å
39	L	96.1	Very high	95.4	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-39.1	177.1	-74.7	174.1	0	0	0	111.1	I20 V35 A36 D37 L42 Y43 L48 L89 M231 L235	I20-L39 HydrophobicContact CD1-CD1 4.45Å; V35-L39 HydrophobicContact CG1-CD1 4.15Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.49Å; A36-L39 PolarHBondContact O-N 2.93Å; D37-L39 PolarHBondContact O-N 2.95Å; L39-L42 PolarHBondContact O-N 3.2Å; L39-Y43 HydrophobicContact CD2-CD2 4.2Å; L39-Y43 HydrophobicContact CD2-CE2 4.16Å; L39-Y43 WeakPolarHBondContact O-CA 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 WeakPolarHBondContact O-CD2 3.41Å; L39-Y43 PolarHBondContact O-N 2.8Å; L39-L48 HydrophobicContact CB-CD1 3.88Å; L39-L89 HydrophobicContact CD1-CD2 4.1Å; L39-M231 HydrophobicContact CD2-CG 4.47Å; L39-L235 HydrophobicContact CD1-CD1 4.45Å; L39-L235 HydrophobicContact CD2-CD1 3.78Å; L39-L235 HydrophobicContact CD2-CD2 4.22Å; L39-L235 HydrophobicContact CD2-CG 4.1Å; L39-L235 HydrophobicContact CG-CD1 4.01Å
40	K	95.2	Very high	95.5	Very high	133 Å²	133	64.5 Å²	64.5	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-66.4	-37.7	177.5	-172.3	177.1	-178.6	178.8	0	112.5	A36 D37 K38 L42 Y43 P44 L48	A36-K40 VanDerWaalsContact O-CB 3.31Å; A36-K40 WeakPolarHBondContact O-CB 3.38Å; A36-K40 PolarHBondContact O-N 3.05Å; D37-K40 PolarHBondContact O-N 2.89Å; K38-K40 VanDerWaalsContact C-N 3.32Å; K40-L42 VanDerWaalsContact C-N 3.33Å; K40-Y43 CarbonylContact O-C 3.54Å; K40-P44 WeakPolarHBondContact O-CA 3.31Å; K40-L48 HydrophobicContact CB-CD1 4.07Å
41	E	95.6	Very high	95.4	Very high	157 Å²	157	64 Å²	64	73%	0.734	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-39.9	173.2	-75.2	173.8	-179.2	0	0	112.1	D37 K38	D37-E41 WeakPolarHBondContact O-CG 3.37Å; D37-E41 PolarHBondContact O-N 2.81Å; K38-E41 PolarHBondContact O-N 3.45Å
42	L	94.1	Very high	95.2	Very high	94 Å²	94	65.8 Å²	65.8	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-82.2	-30.7	-178.5	-66.2	171.2	0	0	0	113.2	K38 L39 K40 V234 L235	K38-L42 WeakPolarHBondContact O-CG 3.38Å; K38-L42 PolarHBondContact O-N 2.97Å; L39-L42 PolarHBondContact O-N 3.2Å; K40-L42 VanDerWaalsContact C-N 3.33Å; L42-V234 HydrophobicContact CD1-CB 4.34Å; L42-V234 HydrophobicContact CD1-CG2 3.53Å; L42-L235 HydrophobicContact CD1-CD2 4.13Å
43	Y	93.5	Very high	94.8	Very high	60 Å²	60	67.7 Å²	67.7	24%	0.235	35%	0.348	C	S	.	.			trans	-131.6	70.5	-175.3	-54.4	-73.5	0	0	0	110.8	L39 K40 D45 F46 M231 V234	L39-Y43 HydrophobicContact CD2-CD2 4.2Å; L39-Y43 HydrophobicContact CD2-CE2 4.16Å; L39-Y43 WeakPolarHBondContact O-CA 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 WeakPolarHBondContact O-CD2 3.41Å; L39-Y43 PolarHBondContact O-N 2.8Å; K40-Y43 CarbonylContact O-C 3.54Å; Y43-D45 PolarHBondContact O-N 2.89Å; Y43-F46 HydrophobicContact CD1-CD2 4.4Å; Y43-F46 HydrophobicContact CD1-CE2 4.02Å; Y43-F46 HydrophobicContact CD1-CZ 4.49Å; Y43-F46 HydrophobicContact CD2-CD2 4.49Å; Y43-F46 AromaticContact CG-CD2 3.91Å; Y43-F46 HydrophobicContact CG-CD2 3.91Å; Y43-F46 AromaticContact CG-CE2 3.96Å; Y43-F46 HydrophobicContact CG-CE2 3.96Å; Y43-F46 PolarHBondContact O-N 3.08Å; Y43-F46 VanDerWaalsContact O-N 3.08Å; Y43-M231 HydrophobicContact CD2-CG 4.02Å; Y43-M231 HydrophobicContact CE2-CG 3.65Å; Y43-M231 PolarHBondContact OH-O 2.84Å; Y43-V234 HydrophobicContact CE2-CG2 4.08Å; Y43-V234 WeakPolarHBondContact OH-CG1 3.2Å
44	P	89.9	Confident	94	Very high	100 Å²	100	68 Å²	68	65%	0.649	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	-174.8	26.4	-35.8	0	0	0	113.9	K40 F46	K40-P44 WeakPolarHBondContact O-CA 3.31Å; P44-F46 VanDerWaalsContact C-N 3.31Å
45	D	88.7	Confident	93	Very high	101 Å²	101	65.9 Å²	65.9	54%	0.54	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.3	177.9	-77.4	4.3	0	0	0	112.8	K13 Y43	K13-D45 IonicContact NZ-OD2 2.8Å; K13-D45 PolarHBondContact NZ-OD2 3.07Å; Y43-D45 PolarHBondContact O-N 2.89Å
46	F	88.6	Confident	91.8	Very high	72 Å²	72	67.5 Å²	67.5	32%	0.316	35%	0.349	S	S	.	.	S	Bend	trans	-88.8	135.9	178.8	-70.9	-5.6	0	0	0	111.7	I18 Y43 P44 L48 M231	I18-F46 HydrophobicContact CG1-CD2 4.23Å; Y43-F46 HydrophobicContact CD1-CD2 4.4Å; Y43-F46 HydrophobicContact CD1-CE2 4.02Å; Y43-F46 HydrophobicContact CD1-CZ 4.49Å; Y43-F46 HydrophobicContact CD2-CD2 4.49Å; Y43-F46 AromaticContact CG-CD2 3.91Å; Y43-F46 HydrophobicContact CG-CD2 3.91Å; Y43-F46 AromaticContact CG-CE2 3.96Å; Y43-F46 HydrophobicContact CG-CE2 3.96Å; Y43-F46 PolarHBondContact O-N 3.08Å; Y43-F46 VanDerWaalsContact O-N 3.08Å; P44-F46 VanDerWaalsContact C-N 3.31Å; F46-L48 HydrophobicContact CB-CD2 4.35Å; F46-M231 HydrophobicContact CD2-SD 3.77Å; F46-M231 HydrophobicContact CE2-CG 4.09Å; F46-M231 HydrophobicContact CE2-SD 3.64Å
47	H	93.4	Very high	90.3	Very high	104 Å²	104	67.6 Å²	67.6	48%	0.481	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.5	171.1	-169.8	74.2	0	0	0	109.4	V17 I18	V17-H47 CarbonylContact C-O 3.56Å; V17-H47 WeakPolarHBondContact CA-O 3.43Å; V17-H47 HydrophobicContact CG2-CB 4.2Å; I18-H47 PolarHBondContact N-O 2.95Å
48	L	95.3	Very high	88.9	Confident	37 Å²	37	65.3 Å²	65.3	19%	0.194	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.2	178.2	-53.8	-175.8	0	0	0	110.2	I18 I20 A36 L39 K40 F46	I18-L48 HydrophobicContact CB-CD2 3.74Å; I18-L48 HydrophobicContact CG1-CD2 4.23Å; I18-L48 HydrophobicContact CG2-CD2 4.21Å; I18-L48 WeakPolarHBondContact O-CA 3.45Å; I20-L48 HydrophobicContact CD1-CB 4.36Å; I20-L48 HydrophobicContact CD1-CD1 4.35Å; A36-L48 HydrophobicContact CB-CD1 4.16Å; A36-L48 WeakPolarHBondContact O-CD1 3.47Å; L39-L48 HydrophobicContact CB-CD1 3.88Å; K40-L48 HydrophobicContact CB-CD1 4.07Å; F46-L48 HydrophobicContact CB-CD2 4.35Å
49	E	96.9	Very high	87.4	Confident	94 Å²	94	66.7 Å²	66.7	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.8	176.5	-175.8	-174.5	173.3	0	0	110.1	V17 I18 R19 I20 V51	V17-E49 HydrophobicContact CG1-CB 3.97Å; I18-E49 PolarHBondContact O-N 2.87Å; R19-E49 CarbonylContact C-O 3.47Å; R19-E49 WeakPolarHBondContact CA-O 3.47Å; R19-E49 HydrophobicContact CG-CB 4.27Å; I20-E49 PolarHBondContact N-O 2.99Å; E49-V51 HydrophobicContact CG-CG2 4.43Å
50	I	97.1	Very high	85.8	Confident	46 Å²	46	69.1 Å²	69.1	24%	0.236	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.4	178	-60.9	177.5	0	0	0	110.2	I20 T22 T32 D33 A36	I20-I50 WeakPolarHBondContact O-CA 3.3Å; T22-I50 HydrophobicContact CG2-CG2 3.58Å; T32-I50 HydrophobicContact CG2-CD1 4.36Å; T32-I50 HydrophobicContact CG2-CG1 4.46Å; T32-I50 HydrophobicContact CG2-CG2 4.2Å; D33-I50 WeakPolarHBondContact OD1-CD1 3.26Å; A36-I50 HydrophobicContact CB-CD1 4.43Å
51	V	96.6	Very high	84.1	Confident	38 Å²	38	68.6 Å²	68.6	23%	0.23	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	105.4	-179.7	-174.6	0	0	0	0	109.6	R19 I20 G21 T22 E49 M53 V87	R19-V51 HydrophobicContact CB-CG2 4.24Å; I20-V51 PolarHBondContact O-N 2.91Å; G21-V51 WeakPolarHBondContact CA-O 3.41Å; T22-V51 PolarHBondContact N-O 2.99Å; E49-V51 HydrophobicContact CG-CG2 4.43Å; V51-M53 HydrophobicContact CG1-CG 4.32Å; V51-V87 HydrophobicContact CB-CG1 3.73Å; V51-V87 HydrophobicContact CG1-CG1 4.05Å; V51-V87 HydrophobicContact CG2-CG1 4.02Å
52	A	93.8	Very high	81.9	Confident	46 Å²	46	67.5 Å²	67.5	38%	0.38	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.9	-177.7	0	0	0	0	0	112.5	T22 K24	T22-A52 HydrophobicContact CG2-CB 4.19Å; T22-A52 CarbonylContact O-C 3.55Å; T22-A52 WeakPolarHBondContact O-CA 3.42Å; K24-A52 HydrophobicContact CG-CB 4.2Å
53	M	90.3	Very high	80.1	Confident	40 Å²	40	71.1 Å²	71.1	20%	0.197	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.7	-174.9	-52	-176.9	89.3	0	0	111.7	T22 R23 K24 V51 L78 A81	T22-M53 PolarHBondContact O-N 3.13Å; R23-M53 WeakPolarHBondContact CA-O 3.49Å; K24-M53 PolarHBondContact N-O 3.04Å; K24-M53 VanDerWaalsContact N-O 3.09Å; V51-M53 HydrophobicContact CG1-CG 4.32Å; M53-L78 HydrophobicContact CB-CD2 4.28Å; M53-L78 HydrophobicContact CG-CD2 4.47Å; M53-L78 HydrophobicContact SD-CD2 4.1Å; M53-A81 HydrophobicContact CE-CB 3.74Å; M53-A81 HydrophobicContact SD-CB 3.61Å
54	S	81.8	Confident	78.2	Confident	54 Å²	54	69.5 Å²	69.5	38%	0.378	37%	0.368	S	S	.	.			trans	-90.3	134.9	170.7	-65.3	0	0	0	0	109.2	K24	K24-S54 WeakPolarHBondContact CD-OG 3.1Å; K24-S54 PolarHBondContact NZ-OG 3.4Å
55	T	77.2	Confident	76.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.358	C	S	.	.			trans	-105.7	157.8	172.8	60.9	0	0	0	0	110.9	R23 G57 D58 M59 E77 L78	R23-T55 HydrophobicContact CG-CG2 3.75Å; T55-G57 PolarHBondContact O-N 3.16Å; T55-D58 PolarHBondContact N-OD2 3.35Å; T55-D58 WeakPolarHBondContact O-CB 3.1Å; T55-D58 PolarHBondContact O-N 3.46Å; T55-D58 PolarHBondContact OG1-OD2 2.79Å; T55-M59 PolarHBondContact O-N 3Å; T55-E77 WeakPolarHBondContact CA-OE2 3.42Å; T55-E77 WeakPolarHBondContact CB-OE2 3.45Å; T55-E77 HydrophobicContact CG2-CB 4.43Å; T55-L78 HydrophobicContact CG2-CD1 4.34Å; T55-L78 HydrophobicContact CG2-CG 4.43Å
56	T	71.6	Confident	74.7	Confident	34 Å²	34	65 Å²	65	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-54.1	-37	175.3	-66.4	0	0	0	0	111.7	D58 M59 I60 L73 E77	T56-D58 VanDerWaalsContact C-N 3.26Å; T56-D58 PolarHBondContact O-N 3.06Å; T56-M59 PolarHBondContact O-N 3.08Å; T56-I60 HydrophobicContact CG2-CD1 3.49Å; T56-I60 VanDerWaalsContact CG2-CD1 3.49Å; T56-I60 HydrophobicContact CG2-CG1 4.12Å; T56-I60 PolarHBondContact O-N 3.2Å; T56-L73 HydrophobicContact CG2-CD2 4.13Å; T56-E77 WeakPolarHBondContact CB-OE1 3.32Å; T56-E77 PolarHBondContact N-OE1 3.29Å; T56-E77 PolarHBondContact OG1-OE1 2.9Å
57	G	66	Low	72.8	Confident	10 Å²	10	67.6 Å²	67.6	10%	0.103	35%	0.351	C	S	.	.	H	α-helix	trans	-71.6	-16.1	178.4	0	0	0	0	0	115.4	T55 L73 F74	T55-G57 PolarHBondContact O-N 3.16Å; G57-L73 VanDerWaalsContact N-CD2 3.31Å; G57-L73 PolarHBondContact N-O 3.01Å; G57-F74 VanDerWaalsContact CA-CE1 3.45Å
58	D	68	Low	70.8	Confident	47 Å²	47	64 Å²	64	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-80.1	-23.8	169.2	-65.7	-47.9	0	0	0	111.9	R23 T55 T56	R23-D58 IonicContact CZ-OD1 2.69Å; R23-D58 IonicContact NE-OD1 3.14Å; R23-D58 PolarHBondContact NE-OD1 3.06Å; R23-D58 IonicContact NE-OD2 2.93Å; R23-D58 PolarHBondContact NE-OD2 3.41Å; R23-D58 IonicContact NH2-OD1 3.35Å; R23-D58 PolarHBondContact NH2-OD1 3.45Å; R23-D58 IonicContact NH2-OD2 3.47Å; T55-D58 PolarHBondContact N-OD2 3.35Å; T55-D58 WeakPolarHBondContact O-CB 3.1Å; T55-D58 PolarHBondContact O-N 3.46Å; T55-D58 PolarHBondContact OG1-OD2 2.79Å; T56-D58 VanDerWaalsContact C-N 3.26Å; T56-D58 PolarHBondContact O-N 3.06Å
59	M	65.1	Low	68.4	Low	132 Å²	132	65.5 Å²	65.5	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-90.7	-32.6	-178	-61	-168.5	-68.4	0	0	112.8	T55 T56 L61	T55-M59 PolarHBondContact O-N 3Å; T56-M59 PolarHBondContact O-N 3.08Å; M59-L61 PolarHBondContact O-N 3.37Å
60	I	62.6	Low	66.1	Low	52 Å²	52	65.3 Å²	65.3	27%	0.267	36%	0.36	S	S	.	.			trans	-92.1	97.3	-178	-54.6	176.7	0	0	0	110.3	T56 R63 I68	T56-I60 HydrophobicContact CG2-CD1 3.49Å; T56-I60 VanDerWaalsContact CG2-CD1 3.49Å; T56-I60 HydrophobicContact CG2-CG1 4.12Å; T56-I60 PolarHBondContact O-N 3.2Å; I60-R63 HydrophobicContact CG2-CB 4.16Å; I60-I68 HydrophobicContact CB-CD1 4.27Å; I60-I68 HydrophobicContact CD1-CG2 4.28Å; I60-I68 HydrophobicContact CG2-CD1 3.58Å; I60-I68 HydrophobicContact CG2-CG1 4.43Å
61	L	60.1	Low	64.1	Low	122 Å²	122	72.7 Å²	72.7	64%	0.639	39%	0.39	S	S	*	.			trans	-104.6	-9.3	178.9	-64.5	175.2	0	0	0	113.9	M59	M59-L61 PolarHBondContact O-N 3.37Å
62	D	50.4	Low	62.2	Low	134 Å²	134	72.3 Å²	72.3	72%	0.717	39%	0.389	S	S	*	.	S	Bend	trans	-106.8	-6.5	-165.9	66.9	-31.4	0	0	0	114.6
63	R	54.4	Low	61	Low	171 Å²	171	70.8 Å²	70.8	65%	0.645	37%	0.374	S	S	*	.	S	Bend	trans	-118.4	148.6	176.8	-63.2	-174.1	-177.5	-168.8	0.3	112.3	I60 L65 I68	I60-R63 HydrophobicContact CG2-CB 4.16Å; R63-L65 PolarHBondContact O-N 3.44Å; R63-I68 HydrophobicContact CB-CD1 4.14Å; R63-I68 HydrophobicContact CB-CG1 4.05Å
64	A	53.8	Low	60.1	Low	26 Å²	26	71.2 Å²	71.2	22%	0.215	38%	0.375	C	S	.	.			trans	-64.5	131.2	175.4	0	0	0	0	0	110.3	S66 K67	A64-S66 PolarHBondContact O-N 3.27Å; A64-K67 HydrophobicContact CB-CG 4.31Å; A64-K67 PolarHBondContact O-N 2.91Å
65	L	55.6	Low	60.1	Low	82 Å²	82	68.7 Å²	68.7	43%	0.429	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-51.2	-31.5	178	-73.9	169.1	0	0	0	113.3	R63 K67 L73 F74	R63-L65 PolarHBondContact O-N 3.44Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.09Å; L65-L73 HydrophobicContact CD2-CD1 4.18Å; L65-F74 HydrophobicContact CD2-CE2 4.25Å; L65-F74 HydrophobicContact CD2-CZ 4.09Å
66	S	49.8	Very low	60.6	Low	25 Å²	25	73.2 Å²	73.2	18%	0.175	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-63	-34.9	173.9	44.9	0	0	0	0	113.6	A64 N356	A64-S66 PolarHBondContact O-N 3.27Å; S66-N356 WeakPolarHBondContact CB-ND2 3.38Å; S66-N356 WeakPolarHBondContact CB-OD1 3.41Å
67	K	49.2	Very low	61.4	Low	125 Å²	125	73.6 Å²	73.6	54%	0.543	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-85	-9.6	-177.4	-67.2	-165.5	-177.3	-175.1	0	114.6	A64 L65 G69 R359	A64-K67 HydrophobicContact CB-CG 4.31Å; A64-K67 PolarHBondContact O-N 2.91Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.09Å; K67-G69 VanDerWaalsContact C-N 3.28Å; K67-R359 VanDerWaalsContact CE-O 3.24Å; K67-R359 WeakPolarHBondContact CE-O 3.38Å; K67-R359 WeakPolarHBondContact CE-OXT 3.33Å; K67-R359 VanDerWaalsContact NZ-C 3.27Å; K67-R359 PolarHBondContact NZ-O 3.15Å; K67-R359 PolarHBondContact NZ-OXT 2.69Å
68	I	51.5	Low	62.7	Low	28 Å²	28	73.1 Å²	73.1	14%	0.144	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-83.9	-9.1	-176.2	-57.7	166.7	0	0	0	111.1	I60 R63 E70 L73	I60-I68 HydrophobicContact CB-CD1 4.27Å; I60-I68 HydrophobicContact CD1-CG2 4.28Å; I60-I68 HydrophobicContact CG2-CD1 3.58Å; I60-I68 HydrophobicContact CG2-CG1 4.43Å; R63-I68 HydrophobicContact CB-CD1 4.14Å; R63-I68 HydrophobicContact CB-CG1 4.05Å; I68-E70 PolarHBondContact O-N 3.15Å; I68-L73 HydrophobicContact CB-CD1 3.56Å; I68-L73 HydrophobicContact CD1-CD1 4.03Å; I68-L73 HydrophobicContact CG1-CD1 4.4Å; I68-L73 HydrophobicContact CG2-CD1 3.33Å; I68-L73 HydrophobicContact CG2-CD2 4.28Å; I68-L73 HydrophobicContact CG2-CG 3.95Å
69	G	44.1	Very low	63.9	Low	70 Å²	70	71.5 Å²	71.5	72%	0.722	36%	0.362	S	S	*	.			trans	66.6	-14.2	166.1	0	0	0	0	0	116.3	K67 K71	K67-G69 VanDerWaalsContact C-N 3.28Å; G69-K71 PolarHBondContact O-N 3.49Å
70	E	49.1	Very low	65.3	Low	90 Å²	90	67.9 Å²	67.9	42%	0.421	35%	0.346	S	S	.	.			trans	-92.9	101.3	-174.7	-69.1	-170.2	157	0	0	111.1	I68 S72 L73	I68-E70 PolarHBondContact O-N 3.15Å; E70-S72 PolarHBondContact O-N 3.49Å; E70-S72 VanDerWaalsContact O-N 3.16Å; E70-L73 PolarHBondContact O-N 2.76Å
71	K	54.2	Low	66.9	Low	200 Å²	200	65.4 Å²	65.4	87%	0.87	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	116.2	150	-63.3	175.8	-178.5	177.7	0	105.3	G69	G69-K71 PolarHBondContact O-N 3.49Å
72	S	58.5	Low	68.6	Low	31 Å²	31	59.6 Å²	59.6	22%	0.217	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	20.4	-178	-50.1	0	0	0	0	118.7	E70 F74 T75 K76	E70-S72 PolarHBondContact O-N 3.49Å; E70-S72 VanDerWaalsContact O-N 3.16Å; S72-F74 PolarHBondContact O-N 3.08Å; S72-T75 WeakPolarHBondContact CB-OG1 3.45Å; S72-T75 PolarHBondContact O-N 3.09Å; S72-T75 VanDerWaalsContact O-N 3.13Å; S72-T75 PolarHBondContact OG-OG1 3.07Å; S72-K76 WeakPolarHBondContact O-CB 3.3Å; S72-K76 PolarHBondContact O-N 2.78Å; S72-K76 VanDerWaalsContact O-N 3.1Å
73	L	67.3	Low	70.8	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.068	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-23.2	176	-126	155.9	0	0	0	116.3	T56 G57 L65 I68 E70	T56-L73 HydrophobicContact CG2-CD2 4.13Å; G57-L73 VanDerWaalsContact N-CD2 3.31Å; G57-L73 PolarHBondContact N-O 3.01Å; L65-L73 HydrophobicContact CD2-CD1 4.18Å; I68-L73 HydrophobicContact CB-CD1 3.56Å; I68-L73 HydrophobicContact CD1-CD1 4.03Å; I68-L73 HydrophobicContact CG1-CD1 4.4Å; I68-L73 HydrophobicContact CG2-CD1 3.33Å; I68-L73 HydrophobicContact CG2-CD2 4.28Å; I68-L73 HydrophobicContact CG2-CG 3.95Å; E70-L73 PolarHBondContact O-N 2.76Å
74	F	71.3	Confident	72.8	Confident	49 Å²	49	59 Å²	59	22%	0.215	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-2.1	-178.4	-59.4	-66.6	0	0	0	114	R23 G57 L65 S72	R23-F74 VanDerWaalsContact NH1-CD1 3.33Å; R23-F74 VanDerWaalsContact NH2-CE1 3.26Å; G57-F74 VanDerWaalsContact CA-CE1 3.45Å; L65-F74 HydrophobicContact CD2-CE2 4.25Å; L65-F74 HydrophobicContact CD2-CZ 4.09Å; S72-F74 PolarHBondContact O-N 3.08Å
75	T	82.8	Confident	74.9	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-31.1	-173.1	65.8	0	0	0	0	112.2	S72 E77 L78 E79 L97	S72-T75 WeakPolarHBondContact CB-OG1 3.45Å; S72-T75 PolarHBondContact O-N 3.09Å; S72-T75 VanDerWaalsContact O-N 3.13Å; S72-T75 PolarHBondContact OG-OG1 3.07Å; T75-E77 PolarHBondContact O-N 3.48Å; T75-L78 WeakPolarHBondContact O-CA 3.43Å; T75-L78 WeakPolarHBondContact O-CB 3.42Å; T75-L78 PolarHBondContact O-N 2.9Å; T75-E79 WeakPolarHBondContact CB-OE1 3.34Å; T75-E79 WeakPolarHBondContact O-CG 3.5Å; T75-E79 PolarHBondContact O-N 2.72Å; T75-E79 PolarHBondContact OG1-OE1 3.18Å; T75-L97 HydrophobicContact CG2-CD2 3.79Å
76	K	86.8	Confident	76.8	Confident	96 Å²	96	61.8 Å²	61.8	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-52.7	-47	-173.2	-174.4	177.6	-177.9	179.9	0	114.5	S72 L78 E79 N80	S72-K76 WeakPolarHBondContact O-CB 3.3Å; S72-K76 PolarHBondContact O-N 2.78Å; S72-K76 VanDerWaalsContact O-N 3.1Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.25Å; K76-E79 PolarHBondContact O-N 3.15Å; K76-N80 PolarHBondContact O-N 3.01Å; K76-N80 PolarHBondContact O-ND2 2.88Å
77	E	89.6	Confident	79.1	Confident	41 Å²	41	60.6 Å²	60.6	19%	0.192	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-30.7	-179.8	-63.5	83.2	177.5	0	0	112.7	T55 T56 T75 A81	T55-E77 WeakPolarHBondContact CA-OE2 3.42Å; T55-E77 WeakPolarHBondContact CB-OE2 3.45Å; T55-E77 HydrophobicContact CG2-CB 4.43Å; T56-E77 WeakPolarHBondContact CB-OE1 3.32Å; T56-E77 PolarHBondContact N-OE1 3.29Å; T56-E77 PolarHBondContact OG1-OE1 2.9Å; T75-E77 PolarHBondContact O-N 3.48Å; E77-A81 PolarHBondContact O-N 3.3Å
78	L	92.9	Very high	81.5	Confident	1 Å²	1	55 Å²	55	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-77	-39.1	177.9	-62	161.4	0	0	0	111.1	R23 M53 T55 T75 K76 A81 L82 V90	R23-L78 HydrophobicContact CG-CD1 3.95Å; M53-L78 HydrophobicContact CB-CD2 4.28Å; M53-L78 HydrophobicContact CG-CD2 4.47Å; M53-L78 HydrophobicContact SD-CD2 4.1Å; T55-L78 HydrophobicContact CG2-CD1 4.34Å; T55-L78 HydrophobicContact CG2-CG 4.43Å; T75-L78 WeakPolarHBondContact O-CA 3.43Å; T75-L78 WeakPolarHBondContact O-CB 3.42Å; T75-L78 PolarHBondContact O-N 2.9Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.25Å; L78-A81 WeakPolarHBondContact O-CB 3.29Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A81 VanDerWaalsContact O-N 3.16Å; L78-L82 PolarHBondContact O-N 3.37Å; L78-V90 HydrophobicContact CB-CG1 3.83Å; L78-V90 HydrophobicContact CB-CG2 4.09Å; L78-V90 HydrophobicContact CD1-CG1 3.73Å; L78-V90 HydrophobicContact CD2-CG1 3.99Å; L78-V90 HydrophobicContact CG-CG1 4.05Å
79	E	93.9	Very high	83.7	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-43.7	172.1	-71.2	163.4	-171	0	0	110.7	T75 K76 A81 L82 E83 F105	T75-E79 WeakPolarHBondContact CB-OE1 3.34Å; T75-E79 WeakPolarHBondContact O-CG 3.5Å; T75-E79 PolarHBondContact O-N 2.72Å; T75-E79 PolarHBondContact OG1-OE1 3.18Å; K76-E79 PolarHBondContact O-N 3.15Å; E79-A81 VanDerWaalsContact C-N 3.28Å; E79-A81 PolarHBondContact O-N 2.93Å; E79-L82 WeakPolarHBondContact O-CB 3.17Å; E79-L82 PolarHBondContact O-N 3.46Å; E79-E83 PolarHBondContact O-N 3.09Å; E79-F105 HydrophobicContact CB-CD2 4.41Å; E79-F105 HydrophobicContact CB-CE2 3.84Å; E79-F105 HydrophobicContact CB-CZ 3.91Å; E79-F105 HydrophobicContact CG-CD2 4.29Å; E79-F105 HydrophobicContact CG-CE2 4.21Å; E79-F105 WeakPolarHBondContact O-CE1 3.34Å; E79-F105 VanDerWaalsContact O-CZ 3.22Å; E79-F105 WeakPolarHBondContact O-CZ 3.46Å
80	N	93.5	Very high	86.3	Confident	57 Å²	57	50.4 Å²	50.4	31%	0.305	23%	0.232	S	C	.	.	H	α-helix	trans	-60.3	-38	173.6	-70.1	-24.8	0	0	0	112.3	K76 E83 R84	K76-N80 PolarHBondContact O-N 3.01Å; K76-N80 PolarHBondContact O-ND2 2.88Å; N80-E83 PolarHBondContact O-N 2.81Å; N80-R84 WeakPolarHBondContact O-CB 3.21Å; N80-R84 VanDerWaalsContact O-CG 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.3Å; N80-R84 PolarHBondContact O-N 2.9Å
81	A	95.8	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-39	177.2	0	0	0	0	0	111.7	M53 E77 L78 E79 N85 E86 V87	M53-A81 HydrophobicContact CE-CB 3.74Å; M53-A81 HydrophobicContact SD-CB 3.61Å; E77-A81 PolarHBondContact O-N 3.3Å; L78-A81 WeakPolarHBondContact O-CB 3.29Å; L78-A81 PolarHBondContact O-N 3.5Å; L78-A81 VanDerWaalsContact O-N 3.16Å; E79-A81 VanDerWaalsContact C-N 3.28Å; E79-A81 PolarHBondContact O-N 2.93Å; A81-N85 PolarHBondContact O-N 3.12Å; A81-E86 HydrophobicContact CB-CB 4.15Å; A81-E86 PolarHBondContact O-N 3.48Å; A81-V87 HydrophobicContact CB-CG1 4.46Å; A81-V87 HydrophobicContact CB-CG2 3.77Å; A81-V87 PolarHBondContact O-N 3.02Å
82	L	96.6	Very high	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-45.9	171.7	-78.7	170.1	0	0	0	111.4	L78 E79 R84 N85 V87 D88 V90 F105 E220 R222	L78-L82 PolarHBondContact O-N 3.37Å; E79-L82 WeakPolarHBondContact O-CB 3.17Å; E79-L82 PolarHBondContact O-N 3.46Å; L82-R84 VanDerWaalsContact C-N 3.34Å; L82-R84 PolarHBondContact O-N 2.86Å; L82-N85 PolarHBondContact O-N 2.8Å; L82-V87 HydrophobicContact CD2-CG2 4Å; L82-V87 HydrophobicContact CG-CG2 4.01Å; L82-D88 WeakPolarHBondContact CD2-O 3.46Å; L82-V90 HydrophobicContact CD1-CB 4.39Å; L82-V90 HydrophobicContact CD1-CG2 3.68Å; L82-V90 HydrophobicContact CD2-CG2 4.09Å; L82-V90 HydrophobicContact CG-CG2 3.68Å; L82-F105 HydrophobicContact CB-CD1 4.18Å; L82-F105 HydrophobicContact CB-CE1 3.68Å; L82-F105 HydrophobicContact CD1-CD1 4.17Å; L82-F105 HydrophobicContact CD1-CE1 4.4Å; L82-E220 HydrophobicContact CD1-CB 4.47Å; L82-E220 HydrophobicContact CD1-CG 3.91Å; L82-R222 HydrophobicContact CB-CG 4.49Å; L82-R222 WeakPolarHBondContact O-CD 3.47Å; L82-R222 PolarHBondContact O-NH1 3.1Å
83	E	96.3	Very high	92.4	Very high	128 Å²	128	36.5 Å²	36.5	60%	0.598	17%	0.169	S	C	*	.	H	α-helix	trans	-61.4	-41.3	179.7	-172.4	177.2	-152.3	0	0	112	E79 N80 N85 F105	E79-E83 PolarHBondContact O-N 3.09Å; N80-E83 PolarHBondContact O-N 2.81Å; E83-N85 PolarHBondContact O-N 2.94Å; E83-F105 HydrophobicContact CB-CE1 4.4Å; E83-F105 HydrophobicContact CB-CZ 4.07Å
84	R	96.8	Very high	93.8	Very high	164 Å²	164	36 Å²	36	62%	0.619	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	1.1	179.2	-67.2	172.9	-172	-179.1	2.1	113.9	N80 L82 E86	N80-R84 WeakPolarHBondContact O-CB 3.21Å; N80-R84 VanDerWaalsContact O-CG 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.3Å; N80-R84 PolarHBondContact O-N 2.9Å; L82-R84 VanDerWaalsContact C-N 3.34Å; L82-R84 PolarHBondContact O-N 2.86Å; R84-E86 HydrophobicContact CB-CG 3.85Å; R84-E86 WeakPolarHBondContact CD-OE1 3.26Å; R84-E86 IonicContact NH1-OE1 2.87Å; R84-E86 PolarHBondContact O-N 3.35Å
85	N	96.4	Very high	94.9	Very high	85 Å²	85	36.6 Å²	36.6	46%	0.455	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	34.5	-171.7	-56.7	-77.2	0	0	0	112.3	R19 A81 L82 E83 R222	R19-N85 PolarHBondContact NH1-O 3.41Å; R19-N85 PolarHBondContact NH2-O 3.49Å; A81-N85 PolarHBondContact O-N 3.12Å; L82-N85 PolarHBondContact O-N 2.8Å; E83-N85 PolarHBondContact O-N 2.94Å; N85-R222 PolarHBondContact OD1-NE 3.4Å; N85-R222 PolarHBondContact OD1-NH1 3.4Å
86	E	97.3	Very high	95.3	Very high	81 Å²	81	39.6 Å²	39.6	38%	0.379	18%	0.184	S	C	.	.	S	Bend	trans	-79.5	-30.8	171.1	-68.5	171.2	-169.4	0	0	110.6	R19 A81 R84	R19-E86 WeakPolarHBondContact CD-O 3.17Å; R19-E86 PolarHBondContact NH1-O 3.32Å; A81-E86 HydrophobicContact CB-CB 4.15Å; A81-E86 PolarHBondContact O-N 3.48Å; R84-E86 HydrophobicContact CB-CG 3.85Å; R84-E86 WeakPolarHBondContact CD-OE1 3.26Å; R84-E86 IonicContact NH1-OE1 2.87Å; R84-E86 PolarHBondContact O-N 3.35Å
87	V	98.1	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.			trans	-132	160.7	170.8	-59.2	0	0	0	0	109.9	R19 V51 A81 L82 V90 R222	R19-V87 HydrophobicContact CB-CB 4.41Å; V51-V87 HydrophobicContact CB-CG1 3.73Å; V51-V87 HydrophobicContact CG1-CG1 4.05Å; V51-V87 HydrophobicContact CG2-CG1 4.02Å; A81-V87 HydrophobicContact CB-CG1 4.46Å; A81-V87 HydrophobicContact CB-CG2 3.77Å; A81-V87 PolarHBondContact O-N 3.02Å; L82-V87 HydrophobicContact CD2-CG2 4Å; L82-V87 HydrophobicContact CG-CG2 4.01Å; V87-V90 HydrophobicContact CG2-CG2 3.9Å; V87-R222 PolarHBondContact O-NH1 3.26Å
88	D	98.3	Very high	95.5	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.048	17%	0.169	C	C	.	.	S	Bend	trans	-104.5	-31.5	-176.7	-57.8	-55.6	0	0	0	113	I18 R19 L82 R222 I228	I18-D88 HydrophobicContact CG2-CB 4.37Å; R19-D88 WeakPolarHBondContact CB-OD2 3.31Å; R19-D88 IonicContact CZ-OD1 3.94Å; R19-D88 IonicContact CZ-OD2 3.69Å; R19-D88 PolarHBondContact N-OD2 3.3Å; R19-D88 IonicContact NE-OD1 3.47Å; R19-D88 IonicContact NE-OD2 3.02Å; R19-D88 PolarHBondContact NE-OD2 2.93Å; R19-D88 IonicContact NH2-OD1 3.85Å; R19-D88 PolarHBondContact NH2-OD1 3.01Å; R19-D88 IonicContact NH2-OD2 3.35Å; R19-D88 PolarHBondContact NH2-OD2 2.84Å; R19-D88 PolarHBondContact O-N 3.33Å; L82-D88 WeakPolarHBondContact CD2-O 3.46Å; D88-R222 IonicContact OD1-NH2 3.66Å; D88-R222 PolarHBondContact OD1-NH2 2.86Å; D88-I228 HydrophobicContact CB-CD1 3.95Å; D88-I228 HydrophobicContact CB-CG1 4.32Å
89	L	98.4	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.4	174.1	67.1	99.2	0	0	0	110.8	I18 R19 I20 G21 L39 V91 V219 E220 V221 I228 M231 V232	I18-L89 HydrophobicContact CG2-CD2 3.77Å; R19-L89 PolarHBondContact O-N 3.27Å; I20-L89 CarbonylContact C-O 3.57Å; I20-L89 WeakPolarHBondContact CA-O 3.18Å; I20-L89 HydrophobicContact CB-CD1 4.18Å; I20-L89 HydrophobicContact CB-CG 4.47Å; I20-L89 HydrophobicContact CD1-CD1 4.34Å; I20-L89 HydrophobicContact CG1-CD1 3.91Å; I20-L89 HydrophobicContact CG1-CD2 4.25Å; I20-L89 HydrophobicContact CG1-CG 4.01Å; I20-L89 HydrophobicContact CG2-CD1 3.55Å; I20-L89 HydrophobicContact CG2-CG 4.31Å; G21-L89 PolarHBondContact N-O 2.93Å; L39-L89 HydrophobicContact CD1-CD2 4.1Å; L89-V91 HydrophobicContact CD1-CG2 4.21Å; L89-V219 HydrophobicContact CB-CG1 3.77Å; L89-V219 HydrophobicContact CD1-CG1 3.67Å; L89-V219 HydrophobicContact CG-CG1 4.24Å; L89-E220 CarbonylContact C-O 3.56Å; L89-E220 WeakPolarHBondContact CA-O 3.44Å; L89-V221 HydrophobicContact CB-CG1 3.82Å; L89-I228 HydrophobicContact CB-CG2 4.38Å; L89-M231 HydrophobicContact CD2-CE 3.68Å; L89-V232 HydrophobicContact CD2-CG1 4.04Å
90	V	98.3	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.2	178.6	-174	0	0	0	0	110	G21 L78 L82 V87 H92 V219 E220	G21-V90 WeakPolarHBondContact O-CG1 3.45Å; L78-V90 HydrophobicContact CB-CG1 3.83Å; L78-V90 HydrophobicContact CB-CG2 4.09Å; L78-V90 HydrophobicContact CD1-CG1 3.73Å; L78-V90 HydrophobicContact CD2-CG1 3.99Å; L78-V90 HydrophobicContact CG-CG1 4.05Å; L82-V90 HydrophobicContact CD1-CB 4.39Å; L82-V90 HydrophobicContact CD1-CG2 3.68Å; L82-V90 HydrophobicContact CD2-CG2 4.09Å; L82-V90 HydrophobicContact CG-CG2 3.68Å; V87-V90 HydrophobicContact CG2-CG2 3.9Å; V90-H92 WeakPolarHBondContact CG1-NE2 3.24Å; V90-V219 CarbonylContact O-C 3.59Å; V90-V219 WeakPolarHBondContact O-CA 3.36Å; V90-E220 PolarHBondContact N-O 2.87Å; V90-E220 PolarHBondContact O-N 2.8Å
91	V	97.9	Very high	95.1	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.7	179.8	-178.7	0	0	0	0	111.1	I20 G21 Q31 T32 V35 L89	I20-V91 HydrophobicContact CG2-CG2 4.13Å; G21-V91 PolarHBondContact O-N 3.2Å; Q31-V91 HydrophobicContact CB-CG1 4.26Å; T32-V91 HydrophobicContact CG2-CG2 4.34Å; V35-V91 HydrophobicContact CB-CG1 4.49Å; V35-V91 HydrophobicContact CB-CG2 3.82Å; V35-V91 HydrophobicContact CG1-CG2 3.9Å; V35-V91 HydrophobicContact CG2-CB 4.46Å; V35-V91 HydrophobicContact CG2-CG1 3.7Å; V35-V91 HydrophobicContact CG2-CG2 3.86Å; L89-V91 HydrophobicContact CD1-CG2 4.21Å
92	H	96.1	Very high	94.8	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.4	179.8	-59.6	-90.8	0	0	0	112.2	V90 L94 L97 L217 A218 E220	V90-H92 WeakPolarHBondContact CG1-NE2 3.24Å; H92-L94 PolarHBondContact O-N 3.38Å; H92-L97 HydrophobicContact CB-CD1 4.08Å; H92-L97 HydrophobicContact CB-CD2 4.13Å; H92-L97 HydrophobicContact CB-CG 3.91Å; H92-L217 CarbonylContact O-C 3.59Å; H92-L217 WeakPolarHBondContact O-CA 3.13Å; H92-A218 PolarHBondContact N-O 3.4Å; H92-A218 PolarHBondContact O-N 3.31Å; H92-E220 IonicContact CD2-OE2 3.94Å; H92-E220 IonicContact CE1-OE2 3.72Å; H92-E220 IonicContact NE2-OE2 3.45Å; H92-E220 PolarHBondContact NE2-OE2 3.13Å
93	S	96.1	Very high	94.5	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122.1	152.6	-70.1	0	0	0	0	108.2	Q31 K95 D96	Q31-S93 PolarHBondContact NE2-OG 3.02Å; Q31-S93 PolarHBondContact OE1-OG 2.92Å; S93-K95 PolarHBondContact O-N 3.46Å; S93-K95 VanDerWaalsContact O-N 3.1Å; S93-D96 WeakPolarHBondContact CB-OD2 3.48Å; S93-D96 WeakPolarHBondContact O-CB 3.17Å; S93-D96 PolarHBondContact O-N 3.5Å
94	L	96.9	Very high	94.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.9	-32.7	-170	177	59.2	0	0	0	113.5	H92 D96 L97 I107 V110 A216 A218 C244	H92-L94 PolarHBondContact O-N 3.38Å; L94-D96 PolarHBondContact O-N 3.01Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-L97 VanDerWaalsContact O-N 3.12Å; L94-I107 HydrophobicContact CD1-CD1 3.69Å; L94-V110 HydrophobicContact CD2-CG1 4.1Å; L94-A216 HydrophobicContact CB-CB 4Å; L94-A216 HydrophobicContact CD2-CB 3.95Å; L94-A216 PolarHBondContact N-O 3.29Å; L94-A218 HydrophobicContact CB-CB 4.01Å; L94-A218 HydrophobicContact CD1-CB 3.76Å; L94-A218 HydrophobicContact CG-CB 4.41Å; L94-C244 HydrophobicContact CD2-CB 3.61Å; L94-C244 WeakPolarHBondContact CD2-SG 3.18Å
95	K	93.8	Very high	94.3	Very high	63 Å²	63	33.7 Å²	33.7	27%	0.274	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-62.6	-17.8	176.6	66.4	169.3	-179.1	179.5	0	114.7	S93 V212 Q214	S93-K95 PolarHBondContact O-N 3.46Å; S93-K95 VanDerWaalsContact O-N 3.1Å; K95-V212 WeakPolarHBondContact CA-O 3.44Å; K95-V212 WeakPolarHBondContact CB-O 3.49Å; K95-Q214 HydrophobicContact CD-CB 4.22Å; K95-Q214 HydrophobicContact CD-CG 4.28Å; K95-Q214 VanDerWaalsContact NZ-OE1 3.16Å
96	D	90.8	Very high	94.3	Very high	63 Å²	63	29.6 Å²	29.6	34%	0.337	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-91.8	-10.4	180	-59.7	-28.7	0	0	0	111.5	S93 L94	S93-D96 WeakPolarHBondContact CB-OD2 3.48Å; S93-D96 WeakPolarHBondContact O-CB 3.17Å; S93-D96 PolarHBondContact O-N 3.5Å; L94-D96 PolarHBondContact O-N 3.01Å
97	L	91.9	Very high	94.4	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.047	17%	0.17	C	C	.	.	S	Bend	trans	-84.5	134.8	174.2	-69.8	178	0	0	0	111	T75 H92 L94 I107 A218 R248	T75-L97 HydrophobicContact CG2-CD2 3.79Å; H92-L97 HydrophobicContact CB-CD1 4.08Å; H92-L97 HydrophobicContact CB-CD2 4.13Å; H92-L97 HydrophobicContact CB-CG 3.91Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-L97 VanDerWaalsContact O-N 3.12Å; L97-I107 HydrophobicContact CD1-CD1 3.83Å; L97-I107 HydrophobicContact CD1-CG1 3.78Å; L97-A218 HydrophobicContact CD1-CB 3.71Å; L97-R248 PolarHBondContact O-NH1 3.39Å
98	P	90.4	Very high	94.4	Very high	37 Å²	37	25.8 Å²	25.8	24%	0.24	17%	0.171	C	C	.	.			trans	-61.5	155.9	174.1	29	-35.1	0	0	0	111	S100 L101 R248	P98-S100 WeakPolarHBondContact CG-O 3.44Å; P98-S100 PolarHBondContact O-N 2.87Å; P98-L101 WeakPolarHBondContact O-CD1 3.28Å; P98-R248 PolarHBondContact O-NH1 3.1Å; P98-R248 PolarHBondContact O-NH2 3.23Å
99	T	89.9	Confident	94.4	Very high	21 Å²	21	25.4 Å²	25.4	13%	0.129	17%	0.169	C	C	.	.	S	Bend	trans	-71.4	-18.8	177.1	52	0	0	0	0	113.4	R248 L251 K252	T99-R248 HydrophobicContact CG2-CB 4.29Å; T99-R248 WeakPolarHBondContact CG2-O 3.41Å; T99-L251 HydrophobicContact CG2-CB 3.98Å; T99-L251 HydrophobicContact CG2-CD2 3.82Å; T99-L251 HydrophobicContact CG2-CG 4.01Å; T99-K252 HydrophobicContact CG2-CB 4.36Å
100	S	89.3	Confident	94.4	Very high	67 Å²	67	25.4 Å²	25.4	47%	0.469	17%	0.169	S	C	.	.	S	Bend	trans	-121.7	114.8	170.8	-54.3	0	0	0	0	107.7	P98 K252	P98-S100 WeakPolarHBondContact CG-O 3.44Å; P98-S100 PolarHBondContact O-N 2.87Å; S100-K252 WeakPolarHBondContact OG-CE 3.33Å
101	L	90.9	Very high	94.4	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.136	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-79.6	155.7	176.4	-82.6	68.1	0	0	0	109.7	P98 F105 I107 E220	P98-L101 WeakPolarHBondContact O-CD1 3.28Å; L101-F105 HydrophobicContact CD2-CB 4.29Å; L101-I107 HydrophobicContact CD1-CD1 4.22Å; L101-I107 HydrophobicContact CD1-CG1 4.44Å; L101-I107 HydrophobicContact CD2-CG1 4Å; L101-E220 HydrophobicContact CD2-CG 4.29Å; L101-E220 VanDerWaalsContact CD2-OE1 3.28Å; L101-E220 WeakPolarHBondContact CD2-OE1 3.24Å
102	P	90.6	Very high	94.5	Very high	51 Å²	51	33.2 Å²	33.2	33%	0.331	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-59.9	154.1	170.8	-14.4	26.5	0	0	0	111.4	G104 F105	P102-G104 PolarHBondContact O-N 2.91Å; P102-F105 HydrophobicContact CB-CD2 3.8Å; P102-F105 HydrophobicContact CB-CE2 4.01Å; P102-F105 HydrophobicContact CG-CD2 4.02Å; P102-F105 HydrophobicContact CG-CE2 4.31Å; P102-F105 PolarHBondContact O-N 3.47Å
103	A	89.8	Confident	94.6	Very high	103 Å²	103	33.9 Å²	33.9	85%	0.851	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	135	178.5	0	0	0	0	0	110.7
104	G	93.1	Very high	94.7	Very high	45 Å²	45	36.3 Å²	36.3	46%	0.464	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-7.8	-179.3	0	0	0	0	0	114.9	P102 R222 A223	P102-G104 PolarHBondContact O-N 2.91Å; G104-R222 CarbonylContact O-C 3.51Å; G104-R222 WeakPolarHBondContact O-CA 3.31Å; G104-A223 WeakPolarHBondContact O-CB 3.42Å; G104-A223 PolarHBondContact O-N 2.74Å
105	F	96	Very high	94.8	Very high	16 Å²	16	39 Å²	39	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	158.9	175.6	-51.1	-64.5	0	0	0	112.5	E79 L82 E83 L101 P102 E220 V221 Q312	E79-F105 HydrophobicContact CB-CD2 4.41Å; E79-F105 HydrophobicContact CB-CE2 3.84Å; E79-F105 HydrophobicContact CB-CZ 3.91Å; E79-F105 HydrophobicContact CG-CD2 4.29Å; E79-F105 HydrophobicContact CG-CE2 4.21Å; E79-F105 WeakPolarHBondContact O-CE1 3.34Å; E79-F105 VanDerWaalsContact O-CZ 3.22Å; E79-F105 WeakPolarHBondContact O-CZ 3.46Å; L82-F105 HydrophobicContact CB-CD1 4.18Å; L82-F105 HydrophobicContact CB-CE1 3.68Å; L82-F105 HydrophobicContact CD1-CD1 4.17Å; L82-F105 HydrophobicContact CD1-CE1 4.4Å; E83-F105 HydrophobicContact CB-CE1 4.4Å; E83-F105 HydrophobicContact CB-CZ 4.07Å; L101-F105 HydrophobicContact CD2-CB 4.29Å; P102-F105 HydrophobicContact CB-CD2 3.8Å; P102-F105 HydrophobicContact CB-CE2 4.01Å; P102-F105 HydrophobicContact CG-CD2 4.02Å; P102-F105 HydrophobicContact CG-CE2 4.31Å; P102-F105 PolarHBondContact O-N 3.47Å; F105-E220 HydrophobicContact CB-CG 4.37Å; F105-V221 WeakPolarHBondContact CA-O 3.34Å; F105-Q312 PolarHBondContact O-NE2 3.28Å
106	T	97.6	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.9	173.2	-165.8	0	0	0	0	111.2	G108 E220 V221 A223 L229 Q312 G315 T317	T106-G108 PolarHBondContact O-N 3.39Å; T106-E220 WeakPolarHBondContact O-CA 3.42Å; T106-V221 HydrophobicContact CG2-CG2 3.67Å; T106-V221 PolarHBondContact N-O 3.37Å; T106-V221 PolarHBondContact O-N 2.9Å; T106-A223 HydrophobicContact CG2-CB 4.32Å; T106-L229 HydrophobicContact CG2-CD2 3.71Å; T106-Q312 VanDerWaalsContact CB-NE2 3.32Å; T106-Q312 PolarHBondContact OG1-NE2 2.9Å; T106-G315 PolarHBondContact OG1-O 3.45Å; T106-T317 PolarHBondContact OG1-OG1 3.45Å
107	I	98.5	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	101	166.2	-59.4	161.5	0	0	0	107.4	L94 L97 L101 A109 V110 A218 V219 G315 V316 T317	L94-I107 HydrophobicContact CD1-CD1 3.69Å; L97-I107 HydrophobicContact CD1-CD1 3.83Å; L97-I107 HydrophobicContact CD1-CG1 3.78Å; L101-I107 HydrophobicContact CD1-CD1 4.22Å; L101-I107 HydrophobicContact CD1-CG1 4.44Å; L101-I107 HydrophobicContact CD2-CG1 4Å; I107-A109 VanDerWaalsContact CG2-O 3.28Å; I107-A109 WeakPolarHBondContact CG2-O 3.49Å; I107-V110 HydrophobicContact CG2-CG2 3.74Å; I107-A218 HydrophobicContact CG2-CB 3.86Å; I107-V219 CarbonylContact C-O 3.59Å; I107-V219 WeakPolarHBondContact CA-O 3.26Å; I107-G315 VanDerWaalsContact CB-O 3.31Å; I107-G315 WeakPolarHBondContact CB-O 3.4Å; I107-G315 WeakPolarHBondContact CG1-O 3.24Å; I107-G315 PolarHBondContact N-O 2.94Å; I107-V316 HydrophobicContact CB-CG2 4.24Å; I107-V316 HydrophobicContact CD1-CG2 4.01Å; I107-V316 HydrophobicContact CG2-CG2 4.48Å; I107-T317 PolarHBondContact O-N 3.38Å
108	G	97.9	Very high	95.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-21.5	179.8	0	0	0	0	0	113.7	T106 V219 H236	T106-G108 PolarHBondContact O-N 3.39Å; G108-V219 PolarHBondContact N-O 3.16Å; G108-H236 PolarHBondContact O-CE1 3.33Å; G108-H236 PolarHBondContact O-NE2 3.04Å
109	A	98.4	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.7	174.4	0	0	0	0	0	113	I107 L111 A218 V219 V232 L235 H236	I107-A109 VanDerWaalsContact CG2-O 3.28Å; I107-A109 WeakPolarHBondContact CG2-O 3.49Å; A109-L111 HydrophobicContact CB-CD1 4.25Å; A109-A218 CarbonylContact O-C 3.55Å; A109-A218 VanDerWaalsContact O-CA 3.3Å; A109-A218 WeakPolarHBondContact O-CA 3.33Å; A109-V219 HydrophobicContact CB-CB 3.89Å; A109-V219 HydrophobicContact CB-CG2 3.94Å; A109-V219 PolarHBondContact N-O 3.45Å; A109-V219 PolarHBondContact O-N 3.42Å; A109-V232 HydrophobicContact CB-CB 4.16Å; A109-V232 HydrophobicContact CB-CG2 4.25Å; A109-V232 WeakPolarHBondContact CB-O 3.33Å; A109-L235 HydrophobicContact CB-CB 3.89Å; A109-L235 HydrophobicContact CB-CD1 4.47Å; A109-H236 WeakPolarHBondContact CA-CE1 3.46Å
110	V	98.7	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	108.2	166	-175.8	0	0	0	0	108.4	L94 I107 A216 H236 D237 T240 V241 C244 V316	L94-V110 HydrophobicContact CD2-CG1 4.1Å; I107-V110 HydrophobicContact CG2-CG2 3.74Å; V110-A216 HydrophobicContact CG1-CB 4.2Å; V110-H236 PolarHBondContact N-CE1 2.79Å; V110-H236 VanDerWaalsContact N-CE1 3.32Å; V110-H236 PolarHBondContact N-ND1 3.48Å; V110-H236 WeakPolarHBondContact O-CA 3.34Å; V110-D237 PolarHBondContact O-N 3.45Å; V110-T240 HydrophobicContact CG1-CG2 3.75Å; V110-V241 HydrophobicContact CB-CG2 3.91Å; V110-V241 HydrophobicContact CG2-CG2 4.49Å; V110-C244 HydrophobicContact CG1-CB 4.43Å; V110-V316 HydrophobicContact CG2-CG1 4.07Å; V110-V316 HydrophobicContact CG2-CG2 4.35Å
111	L	98.6	Very high	97	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	17%	0.169	C	C	.	.			trans	-75.5	159.9	-174.2	-76.3	76.5	0	0	0	111.7	V35 K38 A109 R113 L217 V219 L235 T240	V35-L111 HydrophobicContact CG2-CD1 4.47Å; V35-L111 HydrophobicContact CG2-CD2 3.78Å; K38-L111 HydrophobicContact CD-CD2 4.03Å; A109-L111 HydrophobicContact CB-CD1 4.25Å; L111-R113 PolarHBondContact O-N 2.95Å; L111-L217 HydrophobicContact CB-CB 4.36Å; L111-L217 HydrophobicContact CD1-CB 4.45Å; L111-L217 PolarHBondContact N-O 2.78Å; L111-V219 HydrophobicContact CD1-CG2 3.87Å; L111-L235 HydrophobicContact CD1-CB 4.18Å; L111-L235 HydrophobicContact CD1-CD1 4.44Å; L111-L235 HydrophobicContact CG-CB 4.17Å; L111-T240 WeakPolarHBondContact O-CG2 3.31Å
112	K	98.4	Very high	97.3	Very high	161 Å²	161	28.1 Å²	28.1	70%	0.7	17%	0.166	S	C	*	.			trans	-44.7	125.3	173	-173.7	171.2	-177	172.5	0	111.9	E114 D237	K112-E114 PolarHBondContact O-N 2.97Å; K112-D237 VanDerWaalsContact CA-CB 3.41Å; K112-D237 HydrophobicContact CB-CB 3.84Å
113	R	98.6	Very high	97.7	Very high	24 Å²	24	26.4 Å²	26.4	9%	0.091	15%	0.153	C	C	.	.			trans	-69.2	129.7	-174.4	-146.9	172.9	-175.4	160.1	-0.7	112	L111 Q214 A216 T240 E247	L111-R113 PolarHBondContact O-N 2.95Å; R113-Q214 VanDerWaalsContact CZ-O 3.31Å; R113-Q214 PolarHBondContact NE-O 3.24Å; R113-Q214 PolarHBondContact NH2-O 3.22Å; R113-A216 HydrophobicContact CG-CB 4.1Å; R113-T240 HydrophobicContact CB-CG2 3.67Å; R113-T240 WeakPolarHBondContact CB-OG1 3.28Å; R113-T240 HydrophobicContact CG-CG2 4.07Å; R113-T240 PolarHBondContact N-OG1 3.33Å; R113-E247 IonicContact CZ-OE1 3.94Å; R113-E247 IonicContact CZ-OE2 3.76Å; R113-E247 IonicContact NH1-OE1 3.24Å; R113-E247 PolarHBondContact NH1-OE1 3.23Å; R113-E247 IonicContact NH1-OE2 3.43Å; R113-E247 PolarHBondContact NH1-OE2 3.46Å; R113-E247 IonicContact NH2-OE1 3.9Å; R113-E247 PolarHBondContact NH2-OE1 2.86Å; R113-E247 IonicContact NH2-OE2 3.47Å; R113-E247 PolarHBondContact NH2-OE2 3.13Å
114	E	98.3	Very high	98	Very high	64 Å²	64	24.7 Å²	24.7	30%	0.299	13%	0.134	S	C	.	.			trans	-76.1	174.4	162.1	-78.9	-67.9	177.6	0	0	111.3	K112 P116 A188 K191 G215	K112-E114 PolarHBondContact O-N 2.97Å; E114-P116 VanDerWaalsContact O-CD 3.28Å; E114-P116 WeakPolarHBondContact O-CD 3.32Å; E114-A188 HydrophobicContact CB-CB 3.69Å; E114-K191 VanDerWaalsContact CD-NZ 3.28Å; E114-K191 IonicContact OE1-NZ 3.37Å; E114-K191 PolarHBondContact OE1-NZ 3.21Å; E114-K191 WeakPolarHBondContact OE2-CD 3.38Å; E114-K191 WeakPolarHBondContact OE2-CE 3.43Å; E114-K191 IonicContact OE2-NZ 2.74Å; E114-K191 PolarHBondContact OE2-NZ 3.09Å; E114-G215 PolarHBondContact N-O 2.94Å; E114-G215 VanDerWaalsContact N-O 3.14Å
115	N	98.4	Very high	98.2	Very high	57 Å²	57	26.5 Å²	26.5	31%	0.305	14%	0.139	S	C	.	.			trans	-49.8	113.6	179.1	-173.6	-21.2	0	0	0	111.3	H117 A187 A188	N115-H117 VanDerWaalsContact C-N 3.3Å; N115-H117 PolarHBondContact O-N 2.95Å; N115-H117 VanDerWaalsContact OD1-CB 3.32Å; N115-H117 WeakPolarHBondContact OD1-CB 3.41Å; N115-H117 PolarHBondContact OD1-N 3.27Å; N115-H117 PolarHBondContact OD1-ND1 2.99Å; N115-A187 HydrophobicContact CB-CB 4.15Å; N115-A188 WeakPolarHBondContact O-CB 3.46Å; N115-A188 PolarHBondContact O-N 2.66Å
116	P	98.6	Very high	98.2	Very high	15 Å²	15	26.5 Å²	26.5	10%	0.097	14%	0.14	C	C	.	.			trans	-80.6	-11.2	-173.4	34.1	-37.2	0	0	0	112.9	E114 Y210 Q214	E114-P116 VanDerWaalsContact O-CD 3.28Å; E114-P116 WeakPolarHBondContact O-CD 3.32Å; P116-Y210 HydrophobicContact CB-CD1 3.8Å; P116-Y210 HydrophobicContact CB-CD2 4.14Å; P116-Y210 HydrophobicContact CB-CE1 3.76Å; P116-Y210 HydrophobicContact CB-CE2 4.1Å; P116-Y210 HydrophobicContact CB-CG 3.98Å; P116-Y210 HydrophobicContact CG-CD1 3.95Å; P116-Y210 HydrophobicContact CG-CE1 3.56Å; P116-Y210 WeakPolarHBondContact O-CB 3.35Å; P116-Q214 WeakPolarHBondContact CB-O 3.43Å; P116-Q214 WeakPolarHBondContact O-CG 3.49Å; P116-Q214 PolarHBondContact O-NE2 3.09Å
117	H	98.8	Very high	98.1	Very high	29 Å²	29	32.2 Å²	32.2	13%	0.134	18%	0.175	C	C	.	.	S	Bend	trans	-69.2	158.2	-173.3	-60.5	101.2	0	0	0	113.1	N115 A187 I202 L203	N115-H117 VanDerWaalsContact C-N 3.3Å; N115-H117 PolarHBondContact O-N 2.95Å; N115-H117 VanDerWaalsContact OD1-CB 3.32Å; N115-H117 WeakPolarHBondContact OD1-CB 3.41Å; N115-H117 PolarHBondContact OD1-N 3.27Å; N115-H117 PolarHBondContact OD1-ND1 2.99Å; H117-A187 WeakPolarHBondContact O-CB 3.43Å; H117-A187 PolarHBondContact O-N 3.41Å; H117-I202 HydrophobicContact CB-CG2 3.61Å; H117-L203 PolarHBondContact CD2-O 3.12Å
118	D	98.8	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	153.9	164.9	-69	-40.5	0	0	0	109.9	R146 R147 I184 L185 L203 C208 Q214	D118-R146 IonicContact OD1-NH2 3.85Å; D118-R146 PolarHBondContact OD1-NH2 3.41Å; D118-R146 VanDerWaalsContact OD1-NH2 3.14Å; D118-R146 IonicContact OD2-CZ 3.88Å; D118-R146 IonicContact OD2-NH1 2.74Å; D118-R146 PolarHBondContact OD2-NH1 2.75Å; D118-R146 IonicContact OD2-NH2 2.68Å; D118-R146 PolarHBondContact OD2-NH2 3.43Å; D118-R147 VanDerWaalsContact CG-NE 3.27Å; D118-R147 IonicContact OD1-CZ 3.71Å; D118-R147 VanDerWaalsContact OD1-CZ 3.23Å; D118-R147 IonicContact OD1-NE 3.5Å; D118-R147 PolarHBondContact OD1-NE 2.93Å; D118-R147 IonicContact OD1-NH2 3.17Å; D118-R147 PolarHBondContact OD1-NH2 2.96Å; D118-R147 WeakPolarHBondContact OD2-CG 3.23Å; D118-R147 IonicContact OD2-NE 3.47Å; D118-R147 PolarHBondContact OD2-NE 3.39Å; D118-I184 HydrophobicContact CB-CG2 4Å; D118-L185 CarbonylContact C-O 3.57Å; D118-L185 WeakPolarHBondContact CA-O 3.43Å; D118-L203 HydrophobicContact CB-CB 4.47Å; D118-L203 HydrophobicContact CB-CD1 3.94Å; D118-L203 PolarHBondContact O-N 3.29Å; D118-C208 PolarHBondContact OD2-SG 2.88Å; D118-Q214 PolarHBondContact OD1-NE2 2.92Å
119	A	98.7	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.1	-177.4	0	0	0	0	0	110.2	I184 L185 A187 L190 I199 M201 I202	A119-I184 WeakPolarHBondContact O-CA 3.4Å; A119-L185 PolarHBondContact N-O 3.5Å; A119-L185 PolarHBondContact O-N 2.82Å; A119-A187 HydrophobicContact CB-CB 4.2Å; A119-L190 HydrophobicContact CB-CD1 4.03Å; A119-I199 HydrophobicContact CB-CG1 4.3Å; A119-I199 HydrophobicContact CB-CG2 4.12Å; A119-M201 CarbonylContact C-O 3.56Å; A119-M201 VanDerWaalsContact CA-O 3.31Å; A119-M201 WeakPolarHBondContact CA-O 3.46Å; A119-I202 HydrophobicContact CB-CD1 3.99Å
120	V	98.8	Very high	97.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.1	171.6	-172.3	0	0	0	0	108.6	L122 L131 A182 I184 S200 M201 L203	V120-L122 HydrophobicContact CG1-CD2 4.18Å; V120-L122 HydrophobicContact CG1-CG 4.26Å; V120-L131 HydrophobicContact CG1-CD2 3.98Å; V120-L131 HydrophobicContact CG1-CG 4.4Å; V120-L131 HydrophobicContact CG2-CD1 3.8Å; V120-L131 HydrophobicContact CG2-CD2 4.35Å; V120-L131 HydrophobicContact CG2-CG 4Å; V120-A182 HydrophobicContact CG1-CB 3.88Å; V120-I184 HydrophobicContact CB-CD1 4.47Å; V120-I184 HydrophobicContact CG1-CD1 4.42Å; V120-I184 HydrophobicContact CG2-CD1 3.94Å; V120-S200 PolarHBondContact O-N 3.23Å; V120-M201 HydrophobicContact CB-CB 4.01Å; V120-M201 HydrophobicContact CG2-CB 4.03Å; V120-M201 PolarHBondContact N-O 3.24Å; V120-M201 PolarHBondContact O-N 2.74Å; V120-L203 HydrophobicContact CG2-CD1 4.15Å; V120-L203 HydrophobicContact CG2-CD2 3.85Å; V120-L203 HydrophobicContact CG2-CG 3.97Å
121	V	98.6	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.8	164.1	-176	0	0	0	0	106.9	L171 L174 A182 I183 L185 L190 R198	V121-L171 HydrophobicContact CB-CD2 4.43Å; V121-L171 HydrophobicContact CG1-CD2 3.8Å; V121-L171 HydrophobicContact CG2-CD2 4.48Å; V121-L174 HydrophobicContact CB-CD2 4.03Å; V121-L174 HydrophobicContact CG1-CD2 3.53Å; V121-L174 WeakPolarHBondContact O-CD2 3.29Å; V121-A182 CarbonylContact O-C 3.58Å; V121-A182 VanDerWaalsContact O-CA 3.24Å; V121-A182 WeakPolarHBondContact O-CA 3.46Å; V121-A182 WeakPolarHBondContact O-CB 3.47Å; V121-I183 HydrophobicContact CB-CG1 4.06Å; V121-I183 PolarHBondContact N-O 2.99Å; V121-I183 PolarHBondContact O-N 2.82Å; V121-L185 HydrophobicContact CG2-CD1 4.18Å; V121-L190 HydrophobicContact CG2-CD1 3.71Å; V121-L190 HydrophobicContact CG2-CD2 4.38Å; V121-R198 HydrophobicContact CG1-CB 4.29Å; V121-R198 WeakPolarHBondContact CG1-O 3.28Å
122	L	98.5	Very high	97.5	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.2	178.4	-68.8	166.9	0	0	0	111.1	V120 N126 K129 L134 A182 S200	V120-L122 HydrophobicContact CG1-CD2 4.18Å; V120-L122 HydrophobicContact CG1-CG 4.26Å; L122-N126 HydrophobicContact CB-CB 4.41Å; L122-N126 HydrophobicContact CD2-CB 4.38Å; L122-K129 WeakPolarHBondContact CD1-O 3.39Å; L122-L134 HydrophobicContact CD2-CD1 4.12Å; L122-L134 HydrophobicContact CD2-CD2 4.36Å; L122-L134 HydrophobicContact CD2-CG 4.46Å; L122-A182 HydrophobicContact CD2-CB 3.86Å; L122-S200 PolarHBondContact N-OG 3.02Å; L122-S200 VanDerWaalsContact N-OG 3.13Å
123	H	98.4	Very high	97.4	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.069	25%	0.251	C	S	.	.			trans	-58.1	141.4	164.5	-173.3	-81.9	0	0	0	109	S125 N126 L174 D178 F180 A181	H123-S125 PolarHBondContact CE1-OG 2.91Å; H123-S125 WeakPolarHBondContact ND1-CB 3.07Å; H123-S125 PolarHBondContact ND1-N 2.91Å; H123-S125 PolarHBondContact ND1-OG 2.97Å; H123-S125 PolarHBondContact O-N 2.88Å; H123-S125 VanDerWaalsContact O-N 3.09Å; H123-N126 WeakPolarHBondContact O-CA 3.3Å; H123-N126 PolarHBondContact O-N 3.25Å; H123-L174 HydrophobicContact CB-CD1 3.8Å; H123-L174 PolarHBondContact CD2-O 3.41Å; H123-L174 PolarHBondContact NE2-O 3.41Å; H123-D178 IonicContact CE1-OD1 3.26Å; H123-D178 IonicContact NE2-OD1 3.63Å; H123-F180 WeakPolarHBondContact CB-O 3.37Å; H123-F180 PolarHBondContact CD2-O 2.89Å; H123-A181 VanDerWaalsContact CB-O 3.31Å; H123-A181 WeakPolarHBondContact CB-O 3.43Å; H123-A181 PolarHBondContact N-O 3.08Å
124	P	96.8	Very high	97.4	Very high	68 Å²	68	40.4 Å²	40.4	44%	0.442	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-51.6	-35.8	-179	-29.9	35.9	0	0	0	114.6	N126 T127	P124-N126 PolarHBondContact O-N 2.86Å; P124-T127 PolarHBondContact O-N 3.41Å; P124-T127 PolarHBondContact O-OG1 2.84Å
125	S	96.6	Very high	97.4	Very high	82 Å²	82	40.5 Å²	40.5	57%	0.573	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.2	-12	175.9	70.1	0	0	0	0	115	H123	H123-S125 PolarHBondContact CE1-OG 2.91Å; H123-S125 WeakPolarHBondContact ND1-CB 3.07Å; H123-S125 PolarHBondContact ND1-N 2.91Å; H123-S125 PolarHBondContact ND1-OG 2.97Å; H123-S125 PolarHBondContact O-N 2.88Å; H123-S125 VanDerWaalsContact O-N 3.09Å
126	N	97.1	Very high	97.3	Very high	16 Å²	16	45.3 Å²	45.3	9%	0.086	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-109.1	16.4	178.3	-70.6	-47.9	0	0	0	112.8	L122 H123 P124 G128 K129 L134 A181	L122-N126 HydrophobicContact CB-CB 4.41Å; L122-N126 HydrophobicContact CD2-CB 4.38Å; H123-N126 WeakPolarHBondContact O-CA 3.3Å; H123-N126 PolarHBondContact O-N 3.25Å; P124-N126 PolarHBondContact O-N 2.86Å; N126-G128 PolarHBondContact O-N 3.04Å; N126-K129 HydrophobicContact CB-CD 4.13Å; N126-K129 WeakPolarHBondContact O-CB 3.19Å; N126-K129 PolarHBondContact O-N 2.78Å; N126-K129 PolarHBondContact OD1-NZ 2.69Å; N126-L134 HydrophobicContact CB-CD2 3.97Å; N126-A181 PolarHBondContact ND2-O 3.32Å
127	T	93.6	Very high	97.3	Very high	120 Å²	120	51.6 Å²	51.6	74%	0.736	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	132	177.5	-61.2	0	0	0	0	111.2	P124 K129	P124-T127 PolarHBondContact O-N 3.41Å; P124-T127 PolarHBondContact O-OG1 2.84Å; T127-K129 VanDerWaalsContact C-N 3.35Å
128	G	91.2	Very high	97.3	Very high	78 Å²	78	51 Å²	51	80%	0.804	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-4.3	-178.9	0	0	0	0	0	115.4	N126	N126-G128 PolarHBondContact O-N 3.04Å
129	K	96.7	Very high	97.3	Very high	72 Å²	72	52.1 Å²	52.1	31%	0.313	31%	0.307	S	S	.	.			trans	-85.5	173.9	171.4	-61	-176.5	-175.3	168.1	0	111.9	L122 N126 T127 L134	L122-K129 WeakPolarHBondContact CD1-O 3.39Å; N126-K129 HydrophobicContact CB-CD 4.13Å; N126-K129 WeakPolarHBondContact O-CB 3.19Å; N126-K129 PolarHBondContact O-N 2.78Å; N126-K129 PolarHBondContact OD1-NZ 2.69Å; T127-K129 VanDerWaalsContact C-N 3.35Å; K129-L134 HydrophobicContact CB-CD2 4.41Å; K129-L134 HydrophobicContact CD-CD2 3.96Å
130	T	96.9	Very high	97.3	Very high	53 Å²	53	52.1 Å²	52.1	33%	0.325	31%	0.307	S	S	.	.			trans	-130.3	171.1	171.6	64	0	0	0	0	108.6	D132 T133 L134	T130-D132 PolarHBondContact O-N 2.92Å; T130-D132 PolarHBondContact OG1-N 3.29Å; T130-T133 PolarHBondContact N-OG1 3.42Å; T130-T133 PolarHBondContact O-N 3.02Å; T130-T133 VanDerWaalsContact O-N 3.12Å; T130-T133 PolarHBondContact O-OG1 3.32Å; T130-T133 PolarHBondContact OG1-N 3.42Å; T130-T133 PolarHBondContact OG1-OG1 2.84Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.48Å
131	L	98	Very high	97.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.5	174.2	-65.3	-176.6	0	0	0	112.2	V120 T133 L134 I140 L151 F155 H157 L158 L203	V120-L131 HydrophobicContact CG1-CD2 3.98Å; V120-L131 HydrophobicContact CG1-CG 4.4Å; V120-L131 HydrophobicContact CG2-CD1 3.8Å; V120-L131 HydrophobicContact CG2-CD2 4.35Å; V120-L131 HydrophobicContact CG2-CG 4Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 2.62Å; L131-L134 HydrophobicContact CD2-CD1 3.93Å; L131-I140 HydrophobicContact CD2-CD1 3.93Å; L131-L151 HydrophobicContact CD1-CD2 4.36Å; L131-F155 HydrophobicContact CB-CD1 3.99Å; L131-F155 HydrophobicContact CB-CD2 4.32Å; L131-F155 HydrophobicContact CB-CE1 3.74Å; L131-F155 HydrophobicContact CB-CE2 4.1Å; L131-F155 HydrophobicContact CB-CG 4.27Å; L131-F155 HydrophobicContact CB-CZ 3.81Å; L131-F155 HydrophobicContact CD1-CD2 4Å; L131-F155 HydrophobicContact CD1-CE2 3.58Å; L131-F155 HydrophobicContact CD1-CZ 3.97Å; L131-H157 PolarHBondContact O-NE2 3.11Å; L131-L158 HydrophobicContact CB-CD1 4.14Å; L131-L158 HydrophobicContact CD2-CD1 4.17Å; L131-L203 HydrophobicContact CD1-CD2 3.97Å
132	D	97.3	Very high	97.2	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.5	176.5	-56.7	-88.1	0	0	0	113	T130 R154 F155	T130-D132 PolarHBondContact O-N 2.92Å; T130-D132 PolarHBondContact OG1-N 3.29Å; D132-R154 IonicContact OD1-CZ 3.61Å; D132-R154 IonicContact OD1-NH1 3.2Å; D132-R154 PolarHBondContact OD1-NH1 2.77Å; D132-R154 IonicContact OD1-NH2 2.81Å; D132-R154 PolarHBondContact OD1-NH2 3.34Å; D132-R154 IonicContact OD2-NH2 3.63Å; D132-F155 WeakPolarHBondContact OD1-CE1 3.25Å
133	T	97.6	Very high	96.9	Very high	86 Å²	86	52.7 Å²	52.7	53%	0.528	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.4	-173.8	57.1	0	0	0	0	114.1	T130 L131	T130-T133 PolarHBondContact N-OG1 3.42Å; T130-T133 PolarHBondContact O-N 3.02Å; T130-T133 VanDerWaalsContact O-N 3.12Å; T130-T133 PolarHBondContact O-OG1 3.32Å; T130-T133 PolarHBondContact OG1-N 3.42Å; T130-T133 PolarHBondContact OG1-OG1 2.84Å; L131-T133 VanDerWaalsContact C-N 3.3Å; L131-T133 PolarHBondContact O-N 2.62Å
134	L	98.1	Very high	96.7	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.031	32%	0.32	C	S	.	.	S	Bend	trans	-63	143.5	170.7	-83.1	174.4	0	0	0	110.4	L122 N126 K129 T130 L131 I140 L158 A181	L122-L134 HydrophobicContact CD2-CD1 4.12Å; L122-L134 HydrophobicContact CD2-CD2 4.36Å; L122-L134 HydrophobicContact CD2-CG 4.46Å; N126-L134 HydrophobicContact CB-CD2 3.97Å; K129-L134 HydrophobicContact CB-CD2 4.41Å; K129-L134 HydrophobicContact CD-CD2 3.96Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.48Å; L131-L134 HydrophobicContact CD2-CD1 3.93Å; L134-I140 HydrophobicContact CD1-CD1 3.71Å; L134-L158 HydrophobicContact CB-CD2 3.91Å; L134-A181 HydrophobicContact CD1-CB 4.37Å; L134-A181 HydrophobicContact CD2-CB 4.21Å
135	P	97.7	Very high	96.5	Very high	67 Å²	67	51.5 Å²	51.5	44%	0.435	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-53.8	148.3	175.5	-25.3	33.3	0	0	0	112.2	K137 S138	P135-K137 PolarHBondContact O-N 2.93Å; P135-S138 WeakPolarHBondContact CD-OG 3.49Å; P135-S138 WeakPolarHBondContact O-CB 3.41Å; P135-S138 PolarHBondContact O-N 2.82Å; P135-S138 VanDerWaalsContact O-N 3.09Å; P135-S138 PolarHBondContact O-OG 3.27Å
136	E	97.8	Very high	96.5	Very high	157 Å²	157	48.1 Å²	48.1	73%	0.734	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	143	172.8	-64.2	-171.2	178.8	0	0	111.2	S138 H157	E136-S138 PolarHBondContact O-N 2.69Å; E136-H157 HydrophobicContact CG-CB 4.38Å
137	K	98	Very high	96.6	Very high	147 Å²	147	48.1 Å²	48.1	64%	0.639	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	13.3	-177.2	-50.9	178.5	-177.6	175.8	0	114.8	P135 V139 H157 E159	P135-K137 PolarHBondContact O-N 2.93Å; K137-V139 PolarHBondContact O-N 2.92Å; K137-H157 PolarHBondContact N-O 3.18Å; K137-E159 HydrophobicContact CB-CG 4.35Å
138	S	98.5	Very high	96.7	Very high	17 Å²	17	43 Å²	43	12%	0.119	25%	0.248	C	C	.	.			trans	-56.6	133.9	169.5	-69.6	0	0	0	0	110.6	P135 E136 E159	P135-S138 WeakPolarHBondContact CD-OG 3.49Å; P135-S138 WeakPolarHBondContact O-CB 3.41Å; P135-S138 PolarHBondContact O-N 2.82Å; P135-S138 VanDerWaalsContact O-N 3.09Å; P135-S138 PolarHBondContact O-OG 3.27Å; E136-S138 PolarHBondContact O-N 2.69Å; S138-E159 PolarHBondContact O-N 3.35Å
139	V	98.6	Very high	97	Very high	23 Å²	23	39.3 Å²	39.3	14%	0.139	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	-174.1	-177.7	0	0	0	0	110.9	K137 E159 K161 D179 F180 A181	K137-V139 PolarHBondContact O-N 2.92Å; V139-E159 CarbonylContact C-O 3.59Å; V139-E159 WeakPolarHBondContact CA-O 3.35Å; V139-E159 HydrophobicContact CG2-CB 4.31Å; V139-K161 HydrophobicContact CG1-CB 3.86Å; V139-K161 HydrophobicContact CG1-CD 3.65Å; V139-K161 HydrophobicContact CG1-CG 3.78Å; V139-K161 HydrophobicContact CG2-CD 4.47Å; V139-D179 WeakPolarHBondContact CB-O 3.45Å; V139-D179 WeakPolarHBondContact CG1-O 3.38Å; V139-F180 HydrophobicContact CG1-CD1 3.87Å; V139-F180 HydrophobicContact CG1-CE1 4.18Å; V139-F180 CarbonylContact O-C 3.54Å; V139-F180 WeakPolarHBondContact O-CA 3.42Å; V139-A181 PolarHBondContact O-N 3.46Å
140	I	98.7	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	178.2	-48.9	-59.1	0	0	0	110	L131 L134 L158 E159 F160 K161 A182 I184	L131-I140 HydrophobicContact CD2-CD1 3.93Å; L134-I140 HydrophobicContact CD1-CD1 3.71Å; I140-L158 HydrophobicContact CD1-CD1 4.17Å; I140-L158 HydrophobicContact CG1-CB 4.19Å; I140-L158 HydrophobicContact CG1-CD1 3.97Å; I140-E159 PolarHBondContact N-O 3.5Å; I140-F160 HydrophobicContact CB-CD1 3.78Å; I140-F160 HydrophobicContact CB-CE1 3.75Å; I140-F160 HydrophobicContact CB-CG 4.48Å; I140-F160 HydrophobicContact CB-CZ 4.44Å; I140-F160 HydrophobicContact CG1-CD1 4.5Å; I140-F160 HydrophobicContact CG1-CE1 4.1Å; I140-F160 HydrophobicContact CG1-CZ 4.32Å; I140-F160 HydrophobicContact CG2-CD1 4.06Å; I140-F160 HydrophobicContact CG2-CE1 3.83Å; I140-F160 WeakPolarHBondContact O-CA 3.27Å; I140-K161 PolarHBondContact O-N 3.39Å; I140-A182 CarbonylContact C-O 3.57Å; I140-A182 WeakPolarHBondContact CA-O 3.49Å; I140-A182 HydrophobicContact CD1-CB 3.75Å; I140-I184 HydrophobicContact CG2-CD1 3.76Å; I140-I184 HydrophobicContact CG2-CG1 3.67Å
141	G	98.3	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.4	-177.9	0	0	0	0	0	113.1	K161 I163 A182 I183 I184	G141-K161 WeakPolarHBondContact CA-O 3.5Å; G141-I163 VanDerWaalsContact C-CG2 3.48Å; G141-A182 PolarHBondContact N-O 3.35Å; G141-I183 WeakPolarHBondContact O-CA 3.32Å; G141-I184 PolarHBondContact O-N 3.45Å
142	T	97.2	Very high	97.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	19%	0.194	C	C	.	.			trans	-158.7	130.8	168.5	175.7	0	0	0	0	111.4	S144 R147 A148 F160 K161	T142-S144 PolarHBondContact OG1-N 3.29Å; T142-S144 VanDerWaalsContact OG1-N 3.17Å; T142-R147 HydrophobicContact CG2-CB 4.26Å; T142-A148 HydrophobicContact CG2-CB 4.25Å; T142-F160 HydrophobicContact CG2-CD1 4.09Å; T142-K161 PolarHBondContact N-O 3.42Å
143	S	92.6	Very high	97.1	Very high	24 Å²	24	38.6 Å²	38.6	17%	0.168	20%	0.199	C	C	.	.			trans	-95.5	11.2	169.9	-68	0	0	0	0	113.5	D162 I163 R164	S143-D162 PolarHBondContact OG-OD2 2.78Å; S143-I163 PolarHBondContact OG-N 3.05Å; S143-I163 VanDerWaalsContact OG-N 3.08Å; S143-I163 PolarHBondContact OG-O 3.01Å; S143-I163 VanDerWaalsContact OG-O 3.11Å; S143-R164 PolarHBondContact OG-NE 2.82Å
144	S	93.5	Very high	97.1	Very high	34 Å²	34	39.2 Å²	39.2	24%	0.238	19%	0.192	C	C	.	.			trans	-91.9	118.8	174.4	168.3	0	0	0	0	109.7	T142 R146 R147 A148	T142-S144 PolarHBondContact OG1-N 3.29Å; T142-S144 VanDerWaalsContact OG1-N 3.17Å; S144-R146 VanDerWaalsContact C-N 3.27Å; S144-R146 PolarHBondContact O-N 2.88Å; S144-R147 PolarHBondContact O-N 3.32Å; S144-R147 PolarHBondContact OG-N 3.43Å; S144-A148 WeakPolarHBondContact O-CB 3.42Å; S144-A148 PolarHBondContact O-N 3.33Å
145	L	93.4	Very high	97.1	Very high	23 Å²	23	38.9 Å²	38.9	12%	0.12	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-39.5	176	-55.8	175.9	0	0	0	111.4	R147 A148 A149 S259 P261 L282 N356	L145-R147 PolarHBondContact O-N 3.47Å; L145-A148 PolarHBondContact O-N 3.19Å; L145-A149 VanDerWaalsContact O-CB 3.3Å; L145-A149 WeakPolarHBondContact O-CB 3.18Å; L145-A149 PolarHBondContact O-N 2.72Å; L145-S259 WeakPolarHBondContact CD1-O 3.47Å; L145-P261 HydrophobicContact CB-CG 4.19Å; L145-L282 HydrophobicContact CB-CD2 4.27Å; L145-L282 HydrophobicContact CD1-CD2 3.93Å; L145-L282 HydrophobicContact CD2-CD2 4.21Å; L145-L282 HydrophobicContact CG-CD2 4.36Å; L145-N356 HydrophobicContact CD1-CB 4.1Å; L145-N356 WeakPolarHBondContact CD1-OD1 3.49Å
146	R	96.6	Very high	97.1	Very high	12 Å²	12	40.9 Å²	40.9	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-48.8	174.2	179.5	-167.4	60.1	71.3	-6	112.1	D118 S144 Q150 C208 M209 V262 A263	D118-R146 IonicContact OD1-NH2 3.85Å; D118-R146 PolarHBondContact OD1-NH2 3.41Å; D118-R146 VanDerWaalsContact OD1-NH2 3.14Å; D118-R146 IonicContact OD2-CZ 3.88Å; D118-R146 IonicContact OD2-NH1 2.74Å; D118-R146 PolarHBondContact OD2-NH1 2.75Å; D118-R146 IonicContact OD2-NH2 2.68Å; D118-R146 PolarHBondContact OD2-NH2 3.43Å; S144-R146 VanDerWaalsContact C-N 3.27Å; S144-R146 PolarHBondContact O-N 2.88Å; R146-Q150 WeakPolarHBondContact O-CG 3.33Å; R146-Q150 PolarHBondContact O-N 3.48Å; R146-Q150 PolarHBondContact O-NE2 2.71Å; R146-C208 PolarHBondContact NH1-SG 3.05Å; R146-M209 PolarHBondContact NH1-O 2.99Å; R146-V262 WeakPolarHBondContact CD-O 3.43Å; R146-V262 WeakPolarHBondContact CG-O 3.33Å; R146-A263 HydrophobicContact CG-CB 3.91Å
147	R	97.9	Very high	97.1	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.057	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-48.2	179.4	-70.2	175.7	177.5	158	3.1	110.7	D118 T142 S144 L145 A149 Q150 L151 I184 L185	D118-R147 VanDerWaalsContact CG-NE 3.27Å; D118-R147 IonicContact OD1-CZ 3.71Å; D118-R147 VanDerWaalsContact OD1-CZ 3.23Å; D118-R147 IonicContact OD1-NE 3.5Å; D118-R147 PolarHBondContact OD1-NE 2.93Å; D118-R147 IonicContact OD1-NH2 3.17Å; D118-R147 PolarHBondContact OD1-NH2 2.96Å; D118-R147 WeakPolarHBondContact OD2-CG 3.23Å; D118-R147 IonicContact OD2-NE 3.47Å; D118-R147 PolarHBondContact OD2-NE 3.39Å; T142-R147 HydrophobicContact CG2-CB 4.26Å; S144-R147 PolarHBondContact O-N 3.32Å; S144-R147 PolarHBondContact OG-N 3.43Å; L145-R147 PolarHBondContact O-N 3.47Å; R147-A149 PolarHBondContact O-N 3.22Å; R147-Q150 PolarHBondContact O-N 3.32Å; R147-L151 HydrophobicContact CB-CD1 4.39Å; R147-L151 VanDerWaalsContact O-CB 3.3Å; R147-L151 WeakPolarHBondContact O-CB 2.68Å; R147-L151 VanDerWaalsContact O-CG 3.23Å; R147-L151 WeakPolarHBondContact O-CG 3.34Å; R147-L151 PolarHBondContact O-N 2.93Å; R147-I184 HydrophobicContact CG-CG2 4.28Å; R147-I184 PolarHBondContact NH1-O 3.11Å; R147-L185 VanDerWaalsContact NH2-C 3.33Å; R147-L185 PolarHBondContact NH2-O 2.87Å
148	A	97.3	Very high	97.1	Very high	13 Å²	13	29.7 Å²	29.7	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-45.7	-177.6	0	0	0	0	0	111.9	T142 S144 L145 K152	T142-A148 HydrophobicContact CG2-CB 4.25Å; S144-A148 WeakPolarHBondContact O-CB 3.42Å; S144-A148 PolarHBondContact O-N 3.33Å; L145-A148 PolarHBondContact O-N 3.19Å; A148-K152 VanDerWaalsContact O-CB 3.26Å; A148-K152 WeakPolarHBondContact O-CB 3.37Å; A148-K152 WeakPolarHBondContact O-CG 3.32Å; A148-K152 PolarHBondContact O-N 3.39Å
149	A	97.3	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-48.3	179.8	0	0	0	0	0	112.5	L145 R147 K153 P261 Y280 S281 G284	L145-A149 VanDerWaalsContact O-CB 3.3Å; L145-A149 WeakPolarHBondContact O-CB 3.18Å; L145-A149 PolarHBondContact O-N 2.72Å; R147-A149 PolarHBondContact O-N 3.22Å; A149-K153 PolarHBondContact O-N 3.17Å; A149-P261 HydrophobicContact CB-CB 4.03Å; A149-Y280 HydrophobicContact CB-CG 4.42Å; A149-S281 WeakPolarHBondContact CB-O 3.21Å; A149-G284 WeakPolarHBondContact O-CA 3.41Å
150	Q	98.5	Very high	97.1	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-46	179.4	-71.6	-177.1	98.9	0	0	112	R146 R147 K153 R154 M209 Y280	R146-Q150 WeakPolarHBondContact O-CG 3.33Å; R146-Q150 PolarHBondContact O-N 3.48Å; R146-Q150 PolarHBondContact O-NE2 2.71Å; R147-Q150 PolarHBondContact O-N 3.32Å; Q150-K153 WeakPolarHBondContact O-CB 3.21Å; Q150-K153 PolarHBondContact O-N 2.75Å; Q150-R154 PolarHBondContact O-N 2.91Å; Q150-M209 PolarHBondContact NE2-O 2.91Å; Q150-Y280 HydrophobicContact CG-CD1 4.23Å; Q150-Y280 HydrophobicContact CG-CD2 3.98Å; Q150-Y280 HydrophobicContact CG-CE1 3.85Å; Q150-Y280 HydrophobicContact CG-CE2 3.59Å; Q150-Y280 HydrophobicContact CG-CG 4.31Å; Q150-Y280 PolarHBondContact OE1-OH 3.31Å
151	L	98.4	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75.9	-31.1	-174.5	-63.8	172.1	0	0	0	112.8	L131 R147 K153 R154 F155 F160 I184 L203 C208	L131-L151 HydrophobicContact CD1-CD2 4.36Å; R147-L151 HydrophobicContact CB-CD1 4.39Å; R147-L151 VanDerWaalsContact O-CB 3.3Å; R147-L151 WeakPolarHBondContact O-CB 2.68Å; R147-L151 VanDerWaalsContact O-CG 3.23Å; R147-L151 WeakPolarHBondContact O-CG 3.34Å; R147-L151 PolarHBondContact O-N 2.93Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-R154 PolarHBondContact O-N 2.81Å; L151-F155 HydrophobicContact CB-CD2 4.32Å; L151-F155 HydrophobicContact CD2-CD2 3.87Å; L151-F155 HydrophobicContact CD2-CE2 3.61Å; L151-F155 WeakPolarHBondContact O-CA 3.45Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.14Å; L151-F160 HydrophobicContact CB-CD1 4.3Å; L151-F160 HydrophobicContact CB-CE1 3.31Å; L151-F160 HydrophobicContact CB-CE2 4.35Å; L151-F160 HydrophobicContact CB-CZ 3.35Å; L151-F160 HydrophobicContact CD1-CE1 3.91Å; L151-F160 HydrophobicContact CG-CE1 4.26Å; L151-I184 HydrophobicContact CD1-CD1 3.95Å; L151-I184 HydrophobicContact CD1-CG1 3.67Å; L151-I184 HydrophobicContact CD1-CG2 4.33Å; L151-L203 HydrophobicContact CD1-CD1 4.41Å; L151-L203 HydrophobicContact CD2-CD1 4.1Å; L151-L203 HydrophobicContact CD2-CD2 4.47Å; L151-C208 HydrophobicContact CD2-CB 4.07Å
152	K	97.6	Very high	96.8	Very high	66 Å²	66	40.9 Å²	40.9	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-41.3	168.9	-78.5	174.9	-179.5	-176.6	0	111.8	A148 P156 F160 D283	A148-K152 VanDerWaalsContact O-CB 3.26Å; A148-K152 WeakPolarHBondContact O-CB 3.37Å; A148-K152 WeakPolarHBondContact O-CG 3.32Å; A148-K152 PolarHBondContact O-N 3.39Å; K152-P156 WeakPolarHBondContact O-CA 3.25Å; K152-F160 HydrophobicContact CB-CD2 4.38Å; K152-F160 HydrophobicContact CB-CE2 4.4Å; K152-F160 HydrophobicContact CD-CD2 4.43Å; K152-F160 HydrophobicContact CG-CB 4.41Å; K152-F160 HydrophobicContact CG-CD2 3.33Å; K152-F160 HydrophobicContact CG-CE2 3.8Å; K152-F160 HydrophobicContact CG-CG 4Å; K152-D283 WeakPolarHBondContact CB-O 3.47Å
153	K	96.6	Very high	96.6	Very high	111 Å²	111	40.9 Å²	40.9	48%	0.483	20%	0.202	S	C	.	.	H	α-helix	trans	-64.6	-42.8	176.2	-171	-175.4	-174.9	-178.4	0	111.6	A149 Q150 L151 G284 S287	A149-K153 PolarHBondContact O-N 3.17Å; Q150-K153 WeakPolarHBondContact O-CB 3.21Å; Q150-K153 PolarHBondContact O-N 2.75Å; L151-K153 VanDerWaalsContact C-N 3.31Å; K153-G284 WeakPolarHBondContact CD-O 3.23Å; K153-S287 PolarHBondContact NZ-OG 3.15Å
154	R	97.1	Very high	96.3	Very high	98 Å²	98	42.4 Å²	42.4	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-79.7	-32.5	-176.2	176.8	59.5	-175.8	83.9	5.6	113.9	D132 Q150 L151 D207	D132-R154 IonicContact OD1-CZ 3.61Å; D132-R154 IonicContact OD1-NH1 3.2Å; D132-R154 PolarHBondContact OD1-NH1 2.77Å; D132-R154 IonicContact OD1-NH2 2.81Å; D132-R154 PolarHBondContact OD1-NH2 3.34Å; D132-R154 IonicContact OD2-NH2 3.63Å; Q150-R154 PolarHBondContact O-N 2.91Å; L151-R154 PolarHBondContact O-N 2.81Å; R154-D207 HydrophobicContact CG-CB 4.5Å; R154-D207 IonicContact CZ-OD1 3.52Å; R154-D207 IonicContact NE-OD1 3.23Å; R154-D207 PolarHBondContact NE-OD1 2.71Å; R154-D207 IonicContact NH2-OD1 2.83Å
155	F	97.6	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.			trans	-129.5	68.9	-175.3	-52.7	-74.1	0	0	0	110.2	L131 D132 L151 H157 L158	L131-F155 HydrophobicContact CB-CD1 3.99Å; L131-F155 HydrophobicContact CB-CD2 4.32Å; L131-F155 HydrophobicContact CB-CE1 3.74Å; L131-F155 HydrophobicContact CB-CE2 4.1Å; L131-F155 HydrophobicContact CB-CG 4.27Å; L131-F155 HydrophobicContact CB-CZ 3.81Å; L131-F155 HydrophobicContact CD1-CD2 4Å; L131-F155 HydrophobicContact CD1-CE2 3.58Å; L131-F155 HydrophobicContact CD1-CZ 3.97Å; D132-F155 WeakPolarHBondContact OD1-CE1 3.25Å; L151-F155 HydrophobicContact CB-CD2 4.32Å; L151-F155 HydrophobicContact CD2-CD2 3.87Å; L151-F155 HydrophobicContact CD2-CE2 3.61Å; L151-F155 WeakPolarHBondContact O-CA 3.45Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.14Å; F155-H157 PolarHBondContact O-N 2.87Å; F155-H157 VanDerWaalsContact O-N 3.15Å; F155-L158 HydrophobicContact CB-CB 4.4Å; F155-L158 HydrophobicContact CB-CD1 3.65Å; F155-L158 HydrophobicContact CB-CG 3.96Å; F155-L158 HydrophobicContact CG-CD1 4.15Å; F155-L158 PolarHBondContact O-N 3.08Å; F155-L158 VanDerWaalsContact O-N 3.09Å
156	P	97.3	Very high	95.8	Very high	108 Å²	108	44.6 Å²	44.6	70%	0.701	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.4	-174.2	28.1	-36.4	0	0	0	113.7	K152 L158	K152-P156 WeakPolarHBondContact O-CA 3.25Å; P156-L158 VanDerWaalsContact C-N 3.29Å
157	H	98.2	Very high	95.6	Very high	57 Å²	57	45.4 Å²	45.4	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.5	174.8	64.1	-65.8	0	0	0	113.7	L131 E136 K137 F155	L131-H157 PolarHBondContact O-NE2 3.11Å; E136-H157 HydrophobicContact CG-CB 4.38Å; K137-H157 PolarHBondContact N-O 3.18Å; F155-H157 PolarHBondContact O-N 2.87Å; F155-H157 VanDerWaalsContact O-N 3.15Å
158	L	98.6	Very high	95.4	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.063	24%	0.236	C	C	.	.	S	Bend	trans	-102.4	152.9	-178.5	-57.3	-179.2	0	0	0	112.3	L131 L134 I140 F155 P156 F160	L131-L158 HydrophobicContact CB-CD1 4.14Å; L131-L158 HydrophobicContact CD2-CD1 4.17Å; L134-L158 HydrophobicContact CB-CD2 3.91Å; I140-L158 HydrophobicContact CD1-CD1 4.17Å; I140-L158 HydrophobicContact CG1-CB 4.19Å; I140-L158 HydrophobicContact CG1-CD1 3.97Å; F155-L158 HydrophobicContact CB-CB 4.4Å; F155-L158 HydrophobicContact CB-CD1 3.65Å; F155-L158 HydrophobicContact CB-CG 3.96Å; F155-L158 HydrophobicContact CG-CD1 4.15Å; F155-L158 PolarHBondContact O-N 3.08Å; F155-L158 VanDerWaalsContact O-N 3.09Å; P156-L158 VanDerWaalsContact C-N 3.29Å; L158-F160 HydrophobicContact CB-CE2 3.95Å; L158-F160 HydrophobicContact CB-CZ 4.24Å
159	E	98.3	Very high	95.2	Very high	75 Å²	75	49.8 Å²	49.8	35%	0.35	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.5	172.3	-71.2	-172.8	-173.9	0	0	111	K137 S138 V139 I140 K161	K137-E159 HydrophobicContact CB-CG 4.35Å; S138-E159 PolarHBondContact O-N 3.35Å; V139-E159 CarbonylContact C-O 3.59Å; V139-E159 WeakPolarHBondContact CA-O 3.35Å; V139-E159 HydrophobicContact CG2-CB 4.31Å; I140-E159 PolarHBondContact N-O 3.5Å; E159-K161 WeakPolarHBondContact OE2-CE 3.23Å; E159-K161 IonicContact OE2-NZ 2.71Å; E159-K161 PolarHBondContact OE2-NZ 3.38Å
160	F	97.5	Very high	95.2	Very high	23 Å²	23	51.8 Å²	51.8	10%	0.101	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.8	179.3	-66.5	-95.3	0	0	0	110.6	I140 T142 L151 K152 L158	I140-F160 HydrophobicContact CB-CD1 3.78Å; I140-F160 HydrophobicContact CB-CE1 3.75Å; I140-F160 HydrophobicContact CB-CG 4.48Å; I140-F160 HydrophobicContact CB-CZ 4.44Å; I140-F160 HydrophobicContact CG1-CD1 4.5Å; I140-F160 HydrophobicContact CG1-CE1 4.1Å; I140-F160 HydrophobicContact CG1-CZ 4.32Å; I140-F160 HydrophobicContact CG2-CD1 4.06Å; I140-F160 HydrophobicContact CG2-CE1 3.83Å; I140-F160 WeakPolarHBondContact O-CA 3.27Å; T142-F160 HydrophobicContact CG2-CD1 4.09Å; L151-F160 HydrophobicContact CB-CD1 4.3Å; L151-F160 HydrophobicContact CB-CE1 3.31Å; L151-F160 HydrophobicContact CB-CE2 4.35Å; L151-F160 HydrophobicContact CB-CZ 3.35Å; L151-F160 HydrophobicContact CD1-CE1 3.91Å; L151-F160 HydrophobicContact CG-CE1 4.26Å; K152-F160 HydrophobicContact CB-CD2 4.38Å; K152-F160 HydrophobicContact CB-CE2 4.4Å; K152-F160 HydrophobicContact CD-CD2 4.43Å; K152-F160 HydrophobicContact CG-CB 4.41Å; K152-F160 HydrophobicContact CG-CD2 3.33Å; K152-F160 HydrophobicContact CG-CE2 3.8Å; K152-F160 HydrophobicContact CG-CG 4Å; L158-F160 HydrophobicContact CB-CE2 3.95Å; L158-F160 HydrophobicContact CB-CZ 4.24Å
161	K	96.6	Very high	95.1	Very high	104 Å²	104	51.9 Å²	51.9	45%	0.452	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.9	-179.3	-66.8	-176.2	-168.9	161.7	0	111.3	V139 I140 G141 T142 E159 F180	V139-K161 HydrophobicContact CG1-CB 3.86Å; V139-K161 HydrophobicContact CG1-CD 3.65Å; V139-K161 HydrophobicContact CG1-CG 3.78Å; V139-K161 HydrophobicContact CG2-CD 4.47Å; I140-K161 PolarHBondContact O-N 3.39Å; G141-K161 WeakPolarHBondContact CA-O 3.5Å; T142-K161 PolarHBondContact N-O 3.42Å; E159-K161 WeakPolarHBondContact OE2-CE 3.23Å; E159-K161 IonicContact OE2-NZ 2.71Å; E159-K161 PolarHBondContact OE2-NZ 3.38Å; K161-F180 HydrophobicContact CB-CE1 4.11Å
162	D	94.3	Very high	95	Very high	74 Å²	74	57.5 Å²	57.5	40%	0.396	28%	0.281	S	S	.	.			trans	-65.6	138	178.9	-97.4	38.4	0	0	0	111.2	S143 R164	S143-D162 PolarHBondContact OG-OD2 2.78Å; D162-R164 IonicContact OD2-CZ 3.05Å; D162-R164 IonicContact OD2-NE 2.82Å; D162-R164 IonicContact OD2-NH2 2.9Å; D162-R164 PolarHBondContact OD2-NH2 3.02Å
163	I	93.7	Very high	95	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	28%	0.28	C	S	.	.			trans	-131.6	122	170.9	-167.2	-179.2	0	0	0	110.4	G141 S143 R170 K173 F180 I183	G141-I163 VanDerWaalsContact C-CG2 3.48Å; S143-I163 PolarHBondContact OG-N 3.05Å; S143-I163 VanDerWaalsContact OG-N 3.08Å; S143-I163 PolarHBondContact OG-O 3.01Å; S143-I163 VanDerWaalsContact OG-O 3.11Å; I163-R170 HydrophobicContact CD1-CB 4.01Å; I163-R170 HydrophobicContact CD1-CG 4.12Å; I163-R170 HydrophobicContact CG1-CG 4.16Å; I163-R170 VanDerWaalsContact O-CZ 3.31Å; I163-K173 HydrophobicContact CD1-CB 4.21Å; I163-K173 HydrophobicContact CD1-CD 4.38Å; I163-K173 HydrophobicContact CG1-CD 4.16Å; I163-F180 HydrophobicContact CB-CE1 4.24Å; I163-F180 HydrophobicContact CB-CE2 4.25Å; I163-F180 HydrophobicContact CB-CZ 3.83Å; I163-F180 HydrophobicContact CD1-CD2 4.01Å; I163-F180 HydrophobicContact CD1-CE2 3.82Å; I163-F180 HydrophobicContact CD1-CZ 4.26Å; I163-F180 HydrophobicContact CG1-CE2 3.89Å; I163-F180 HydrophobicContact CG1-CZ 3.98Å; I163-I183 HydrophobicContact CD1-CG2 3.64Å
164	R	86.5	Confident	95.1	Very high	56 Å²	56	52.2 Å²	52.2	21%	0.211	26%	0.257	C	S	.	.			trans	-106.6	159.5	-176	-61.3	-70.8	174.6	179.4	-9.5	112.7	S143 D162 K173	S143-R164 PolarHBondContact OG-NE 2.82Å; D162-R164 IonicContact OD2-CZ 3.05Å; D162-R164 IonicContact OD2-NE 2.82Å; D162-R164 IonicContact OD2-NH2 2.9Å; D162-R164 PolarHBondContact OD2-NH2 3.02Å; R164-K173 PolarHBondContact O-NZ 3.42Å
165	G	86.8	Confident	95.1	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	111.9	169.4	-177.7	0	0	0	0	0	112.4	R170	G165-R170 PolarHBondContact O-NE 3.03Å; G165-R170 PolarHBondContact O-NH2 3.44Å
166	N	88.9	Confident	95	Very high	84 Å²	84	56.6 Å²	56.6	45%	0.449	28%	0.284	S	S	.	.			trans	-70.7	179.5	170.3	66.9	28.9	0	0	0	110.8	N168 T169 R170	N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.34Å; N166-N168 WeakPolarHBondContact OD1-CB 3.31Å; N166-N168 PolarHBondContact OD1-N 2.91Å; N166-N168 VanDerWaalsContact OD1-N 3.15Å; N166-T169 PolarHBondContact O-N 3.09Å; N166-T169 PolarHBondContact OD1-N 3.31Å; N166-T169 PolarHBondContact OD1-OG1 3.38Å; N166-T169 VanDerWaalsContact OD1-OG1 3.1Å; N166-R170 WeakPolarHBondContact O-CG 3.43Å; N166-R170 PolarHBondContact O-N 2.96Å
167	L	92.6	Very high	94.8	Very high	28 Å²	28	56.1 Å²	56.1	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-56	-45.2	-178	-72.8	-178.1	0	0	0	113	L27 T169 R170 L171 L185 M193 W195	L27-L167 HydrophobicContact CD2-CD1 3.84Å; L167-T169 PolarHBondContact O-N 3.34Å; L167-R170 PolarHBondContact O-N 2.93Å; L167-L171 PolarHBondContact O-N 3.48Å; L167-L185 HydrophobicContact CD2-CD1 3.95Å; L167-L185 HydrophobicContact CD2-CD2 3.66Å; L167-L185 HydrophobicContact CD2-CG 4.29Å; L167-M193 HydrophobicContact CD1-CG 3.75Å; L167-M193 HydrophobicContact CD1-SD 4.46Å; L167-W195 HydrophobicContact CB-CH2 4.33Å; L167-W195 HydrophobicContact CB-CZ3 3.8Å
168	N	93.3	Very high	94.6	Very high	63 Å²	63	60.4 Å²	60.4	34%	0.337	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-50.2	176.5	-72	-58.3	0	0	0	111.7	Q26 N166 R170 L171 K172 W195	Q26-N168 PolarHBondContact OE1-ND2 2.99Å; N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 3.34Å; N166-N168 WeakPolarHBondContact OD1-CB 3.31Å; N166-N168 PolarHBondContact OD1-N 2.91Å; N166-N168 VanDerWaalsContact OD1-N 3.15Å; N168-R170 VanDerWaalsContact C-N 3.31Å; N168-R170 PolarHBondContact O-N 3.13Å; N168-L171 PolarHBondContact O-N 3.18Å; N168-K172 WeakPolarHBondContact O-CB 3.07Å; N168-K172 PolarHBondContact O-N 3.13Å; N168-W195 WeakPolarHBondContact OD1-CH2 3.38Å; N168-W195 VanDerWaalsContact OD1-CZ2 3.28Å; N168-W195 WeakPolarHBondContact OD1-CZ2 3.32Å
169	T	94	Very high	94.4	Very high	57 Å²	57	64.1 Å²	64.1	35%	0.35	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-38.5	-179.1	-50.2	0	0	0	0	112.1	N166 L167 K173	N166-T169 PolarHBondContact O-N 3.09Å; N166-T169 PolarHBondContact OD1-N 3.31Å; N166-T169 PolarHBondContact OD1-OG1 3.38Å; N166-T169 VanDerWaalsContact OD1-OG1 3.1Å; L167-T169 PolarHBondContact O-N 3.34Å; T169-K173 HydrophobicContact CG2-CD 4.45Å; T169-K173 WeakPolarHBondContact O-CG 3.45Å; T169-K173 PolarHBondContact O-N 3.4Å
170	R	96.6	Very high	94.4	Very high	43 Å²	43	61.5 Å²	61.5	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-43.3	-180	-68.9	-177.7	-167.7	-152.4	2.7	112.1	I163 G165 N166 L167 N168 K173 L174 I183	I163-R170 HydrophobicContact CD1-CB 4.01Å; I163-R170 HydrophobicContact CD1-CG 4.12Å; I163-R170 HydrophobicContact CG1-CG 4.16Å; I163-R170 VanDerWaalsContact O-CZ 3.31Å; G165-R170 PolarHBondContact O-NE 3.03Å; G165-R170 PolarHBondContact O-NH2 3.44Å; N166-R170 WeakPolarHBondContact O-CG 3.43Å; N166-R170 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 2.93Å; N168-R170 VanDerWaalsContact C-N 3.31Å; N168-R170 PolarHBondContact O-N 3.13Å; R170-K173 PolarHBondContact O-N 3.36Å; R170-L174 PolarHBondContact O-N 3.12Å; R170-I183 HydrophobicContact CB-CD1 4.07Å
171	L	96.6	Very high	94.5	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-43.6	174.1	-77.5	-173.3	0	0	0	111.5	V121 L167 N168 K173 L174 D175 I183 L185 W195	V121-L171 HydrophobicContact CB-CD2 4.43Å; V121-L171 HydrophobicContact CG1-CD2 3.8Å; V121-L171 HydrophobicContact CG2-CD2 4.48Å; L167-L171 PolarHBondContact O-N 3.48Å; N168-L171 PolarHBondContact O-N 3.18Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.23Å; L171-L174 HydrophobicContact CD2-CD2 4.44Å; L171-L174 CarbonylContact O-C 3.51Å; L171-L174 WeakPolarHBondContact O-CA 3.26Å; L171-L174 WeakPolarHBondContact O-CB 3.14Å; L171-L174 PolarHBondContact O-N 2.69Å; L171-D175 WeakPolarHBondContact O-CB 3.26Å; L171-D175 VanDerWaalsContact O-CG 3.27Å; L171-D175 PolarHBondContact O-N 3.25Å; L171-I183 HydrophobicContact CD2-CD1 4.04Å; L171-L185 HydrophobicContact CD2-CD1 4.41Å; L171-W195 HydrophobicContact CD1-CD2 3.87Å; L171-W195 HydrophobicContact CD1-CE3 3.21Å; L171-W195 HydrophobicContact CD1-CH2 3.81Å; L171-W195 HydrophobicContact CD1-CZ2 4.43Å; L171-W195 HydrophobicContact CD1-CZ3 3.15Å; L171-W195 HydrophobicContact CG-CE3 4.36Å; L171-W195 HydrophobicContact CG-CZ3 4.03Å
172	K	96.8	Very high	94.6	Very high	118 Å²	118	56.1 Å²	56.1	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-45.5	175.3	-173.3	177.7	-178	178.1	0	111.9	N168 L174 D175 E176	N168-K172 WeakPolarHBondContact O-CB 3.07Å; N168-K172 PolarHBondContact O-N 3.13Å; K172-L174 VanDerWaalsContact C-N 3.31Å; K172-L174 PolarHBondContact O-N 3.43Å; K172-D175 PolarHBondContact O-N 3.01Å; K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 WeakPolarHBondContact CE-OE2 3.39Å; K172-E176 VanDerWaalsContact CG-CD 3.41Å; K172-E176 HydrophobicContact CG-CG 4.15Å; K172-E176 WeakPolarHBondContact CG-OE1 3.42Å; K172-E176 WeakPolarHBondContact CG-OE2 3.34Å; K172-E176 IonicContact NZ-OE1 2.76Å; K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 WeakPolarHBondContact O-CG 3.48Å; K172-E176 PolarHBondContact O-N 2.85Å
173	K	97.1	Very high	94.8	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-36.9	175.2	-76.5	174.6	179.9	178.3	0	113	I163 R164 T169 R170 L171 K177	I163-K173 HydrophobicContact CD1-CB 4.21Å; I163-K173 HydrophobicContact CD1-CD 4.38Å; I163-K173 HydrophobicContact CG1-CD 4.16Å; R164-K173 PolarHBondContact O-NZ 3.42Å; T169-K173 HydrophobicContact CG2-CD 4.45Å; T169-K173 WeakPolarHBondContact O-CG 3.45Å; T169-K173 PolarHBondContact O-N 3.4Å; R170-K173 PolarHBondContact O-N 3.36Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.23Å; K173-K177 WeakPolarHBondContact O-CB 3.38Å; K173-K177 PolarHBondContact O-N 3.12Å
174	L	98.1	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-38.4	175.1	177	67.4	0	0	0	111.5	V121 H123 R170 L171 K172 F180 I183	V121-L174 HydrophobicContact CB-CD2 4.03Å; V121-L174 HydrophobicContact CG1-CD2 3.53Å; V121-L174 WeakPolarHBondContact O-CD2 3.29Å; H123-L174 HydrophobicContact CB-CD1 3.8Å; H123-L174 PolarHBondContact CD2-O 3.41Å; H123-L174 PolarHBondContact NE2-O 3.41Å; R170-L174 PolarHBondContact O-N 3.12Å; L171-L174 HydrophobicContact CD2-CD2 4.44Å; L171-L174 CarbonylContact O-C 3.51Å; L171-L174 WeakPolarHBondContact O-CA 3.26Å; L171-L174 WeakPolarHBondContact O-CB 3.14Å; L171-L174 PolarHBondContact O-N 2.69Å; K172-L174 VanDerWaalsContact C-N 3.31Å; K172-L174 PolarHBondContact O-N 3.43Å; L174-F180 HydrophobicContact CD1-CB 4.11Å; L174-F180 WeakPolarHBondContact CD1-O 3.5Å; L174-I183 HydrophobicContact CB-CD1 4.3Å; L174-I183 HydrophobicContact CB-CG2 4.28Å; L174-I183 HydrophobicContact CD1-CG2 4.19Å; L174-I183 HydrophobicContact CD2-CD1 4.06Å; L174-I183 HydrophobicContact CD2-CG1 3.98Å
175	D	97.4	Very high	95.6	Very high	59 Å²	59	50 Å²	50	32%	0.316	25%	0.254	S	S	.	.	H	α-helix	trans	-84.1	-31.4	-172.1	-65.7	-18.8	0	0	0	112.3	L171 K172 R198	L171-D175 WeakPolarHBondContact O-CB 3.26Å; L171-D175 VanDerWaalsContact O-CG 3.27Å; L171-D175 PolarHBondContact O-N 3.25Å; K172-D175 PolarHBondContact O-N 3.01Å; D175-R198 IonicContact OD1-CZ 2.71Å; D175-R198 IonicContact OD1-NH1 3.2Å; D175-R198 IonicContact OD1-NH2 2.69Å; D175-R198 PolarHBondContact OD1-NH2 3.35Å; D175-R198 IonicContact OD2-CZ 2.75Å; D175-R198 IonicContact OD2-NH1 3.32Å; D175-R198 PolarHBondContact OD2-NH1 2.9Å; D175-R198 IonicContact OD2-NH2 2.78Å; D175-R198 PolarHBondContact OD2-NH2 3.24Å
176	E	95.6	Very high	96.1	Very high	132 Å²	132	49.6 Å²	49.6	62%	0.617	25%	0.249	S	C	*	.	H	α-helix	trans	-99.1	-13.5	-173.1	-64.3	-179.1	171.4	0	0	114.4	K172	K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 WeakPolarHBondContact CE-OE2 3.39Å; K172-E176 VanDerWaalsContact CG-CD 3.41Å; K172-E176 HydrophobicContact CG-CG 4.15Å; K172-E176 WeakPolarHBondContact CG-OE1 3.42Å; K172-E176 WeakPolarHBondContact CG-OE2 3.34Å; K172-E176 IonicContact NZ-OE1 2.76Å; K172-E176 WeakPolarHBondContact O-CB 3.46Å; K172-E176 WeakPolarHBondContact O-CG 3.48Å; K172-E176 PolarHBondContact O-N 2.85Å
177	K	93.4	Very high	96.6	Very high	98 Å²	98	45.7 Å²	45.7	43%	0.426	23%	0.229	S	C	.	.			trans	-131	142.6	-175.4	-52.3	-171.7	177.8	-164.7	0	111.5	K173 D179	K173-K177 WeakPolarHBondContact O-CB 3.38Å; K173-K177 PolarHBondContact O-N 3.12Å; K177-D179 HydrophobicContact CB-CB 4.32Å; K177-D179 WeakPolarHBondContact CD-OD2 3.46Å; K177-D179 PolarHBondContact O-N 3.19Å; K177-D179 VanDerWaalsContact O-N 3.13Å
178	D	93.8	Very high	96.9	Very high	147 Å²	147	44.5 Å²	44.5	79%	0.786	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	14.3	173.5	-60.3	-58	0	0	0	113.5	H123 F180	H123-D178 IonicContact CE1-OD1 3.26Å; H123-D178 IonicContact NE2-OD1 3.63Å; D178-F180 PolarHBondContact O-N 3.43Å
179	D	95.6	Very high	97.1	Very high	90 Å²	90	41.9 Å²	41.9	48%	0.481	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.2	179.9	-70.8	-27.6	0	0	0	112.5	V139 K177	V139-D179 WeakPolarHBondContact CB-O 3.45Å; V139-D179 WeakPolarHBondContact CG1-O 3.38Å; K177-D179 HydrophobicContact CB-CB 4.32Å; K177-D179 WeakPolarHBondContact CD-OD2 3.46Å; K177-D179 PolarHBondContact O-N 3.19Å; K177-D179 VanDerWaalsContact O-N 3.13Å
180	F	98.3	Very high	97.3	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.088	19%	0.194	C	C	.	.			trans	-135.4	127.3	-173.7	-59.4	-76.4	0	0	0	111.1	H123 V139 K161 I163 L174 D178 A182 I183	H123-F180 WeakPolarHBondContact CB-O 3.37Å; H123-F180 PolarHBondContact CD2-O 2.89Å; V139-F180 HydrophobicContact CG1-CD1 3.87Å; V139-F180 HydrophobicContact CG1-CE1 4.18Å; V139-F180 CarbonylContact O-C 3.54Å; V139-F180 WeakPolarHBondContact O-CA 3.42Å; K161-F180 HydrophobicContact CB-CE1 4.11Å; I163-F180 HydrophobicContact CB-CE1 4.24Å; I163-F180 HydrophobicContact CB-CE2 4.25Å; I163-F180 HydrophobicContact CB-CZ 3.83Å; I163-F180 HydrophobicContact CD1-CD2 4.01Å; I163-F180 HydrophobicContact CD1-CE2 3.82Å; I163-F180 HydrophobicContact CD1-CZ 4.26Å; I163-F180 HydrophobicContact CG1-CE2 3.89Å; I163-F180 HydrophobicContact CG1-CZ 3.98Å; L174-F180 HydrophobicContact CD1-CB 4.11Å; L174-F180 WeakPolarHBondContact CD1-O 3.5Å; D178-F180 PolarHBondContact O-N 3.43Å; F180-A182 VanDerWaalsContact C-N 3.34Å; F180-I183 HydrophobicContact CB-CG2 4.32Å; F180-I183 HydrophobicContact CG-CG2 4.43Å
181	A	98.5	Very high	97.4	Very high	14 Å²	14	41.2 Å²	41.2	12%	0.116	20%	0.204	C	C	.	.	S	Bend	trans	-74.5	-27.5	170.2	0	0	0	0	0	112.2	H123 N126 L134 V139	H123-A181 VanDerWaalsContact CB-O 3.31Å; H123-A181 WeakPolarHBondContact CB-O 3.43Å; H123-A181 PolarHBondContact N-O 3.08Å; N126-A181 PolarHBondContact ND2-O 3.32Å; L134-A181 HydrophobicContact CD1-CB 4.37Å; L134-A181 HydrophobicContact CD2-CB 4.21Å; V139-A181 PolarHBondContact O-N 3.46Å
182	A	98.7	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	164.4	174.3	0	0	0	0	0	111	V120 V121 L122 I140 G141 F180	V120-A182 HydrophobicContact CG1-CB 3.88Å; V121-A182 CarbonylContact O-C 3.58Å; V121-A182 VanDerWaalsContact O-CA 3.24Å; V121-A182 WeakPolarHBondContact O-CA 3.46Å; V121-A182 WeakPolarHBondContact O-CB 3.47Å; L122-A182 HydrophobicContact CD2-CB 3.86Å; I140-A182 CarbonylContact C-O 3.57Å; I140-A182 WeakPolarHBondContact CA-O 3.49Å; I140-A182 HydrophobicContact CD1-CB 3.75Å; G141-A182 PolarHBondContact N-O 3.35Å; F180-A182 VanDerWaalsContact C-N 3.34Å
183	I	98.7	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.8	165.5	68.5	-176	0	0	0	111	V121 G141 I163 R170 L171 L174 F180 L185	V121-I183 HydrophobicContact CB-CG1 4.06Å; V121-I183 PolarHBondContact N-O 2.99Å; V121-I183 PolarHBondContact O-N 2.82Å; G141-I183 WeakPolarHBondContact O-CA 3.32Å; I163-I183 HydrophobicContact CD1-CG2 3.64Å; R170-I183 HydrophobicContact CB-CD1 4.07Å; L171-I183 HydrophobicContact CD2-CD1 4.04Å; L174-I183 HydrophobicContact CB-CD1 4.3Å; L174-I183 HydrophobicContact CB-CG2 4.28Å; L174-I183 HydrophobicContact CD1-CG2 4.19Å; L174-I183 HydrophobicContact CD2-CD1 4.06Å; L174-I183 HydrophobicContact CD2-CG1 3.98Å; F180-I183 HydrophobicContact CB-CG2 4.32Å; F180-I183 HydrophobicContact CG-CG2 4.43Å; I183-L185 HydrophobicContact CD1-CD1 3.73Å; I183-L185 HydrophobicContact CD1-CD2 4.44Å; I183-L185 HydrophobicContact CD1-CG 4.08Å; I183-L185 HydrophobicContact CG1-CD1 4.14Å; I183-L185 HydrophobicContact CG1-CG 4.11Å
184	I	98.7	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.7	178.3	-44.8	-62.4	0	0	0	110.4	D118 A119 V120 I140 G141 R147 L151 L203	D118-I184 HydrophobicContact CB-CG2 4Å; A119-I184 WeakPolarHBondContact O-CA 3.4Å; V120-I184 HydrophobicContact CB-CD1 4.47Å; V120-I184 HydrophobicContact CG1-CD1 4.42Å; V120-I184 HydrophobicContact CG2-CD1 3.94Å; I140-I184 HydrophobicContact CG2-CD1 3.76Å; I140-I184 HydrophobicContact CG2-CG1 3.67Å; G141-I184 PolarHBondContact O-N 3.45Å; R147-I184 HydrophobicContact CG-CG2 4.28Å; R147-I184 PolarHBondContact NH1-O 3.11Å; L151-I184 HydrophobicContact CD1-CD1 3.95Å; L151-I184 HydrophobicContact CD1-CG1 3.67Å; L151-I184 HydrophobicContact CD1-CG2 4.33Å; I184-L203 HydrophobicContact CD1-CD1 4.41Å; I184-L203 HydrophobicContact CG2-CD1 4.03Å
185	L	98.3	Very high	97.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	172.1	-177.7	-64.8	177.3	0	0	0	110.9	D118 A119 V121 R147 L167 L171 I183 L190	D118-L185 CarbonylContact C-O 3.57Å; D118-L185 WeakPolarHBondContact CA-O 3.43Å; A119-L185 PolarHBondContact N-O 3.5Å; A119-L185 PolarHBondContact O-N 2.82Å; V121-L185 HydrophobicContact CG2-CD1 4.18Å; R147-L185 VanDerWaalsContact NH2-C 3.33Å; R147-L185 PolarHBondContact NH2-O 2.87Å; L167-L185 HydrophobicContact CD2-CD1 3.95Å; L167-L185 HydrophobicContact CD2-CD2 3.66Å; L167-L185 HydrophobicContact CD2-CG 4.29Å; L171-L185 HydrophobicContact CD2-CD1 4.41Å; I183-L185 HydrophobicContact CD1-CD1 3.73Å; I183-L185 HydrophobicContact CD1-CD2 4.44Å; I183-L185 HydrophobicContact CD1-CG 4.08Å; I183-L185 HydrophobicContact CG1-CD1 4.14Å; I183-L185 HydrophobicContact CG1-CG 4.11Å; L185-L190 HydrophobicContact CB-CD1 4.12Å; L185-L190 HydrophobicContact CB-CG 4.28Å; L185-L190 HydrophobicContact CD1-CD1 4.42Å; L185-L190 HydrophobicContact CD1-CD2 3.73Å; L185-L190 HydrophobicContact CD1-CG 4.29Å
186	A	98.1	Very high	97.5	Very high	12 Å²	12	41.3 Å²	41.3	10%	0.099	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.5	172.2	0	0	0	0	0	108.9	A188 G189 L190 Q214	A186-A188 VanDerWaalsContact C-N 3.33Å; A186-A188 PolarHBondContact O-N 2.84Å; A186-G189 PolarHBondContact O-N 2.96Å; A186-L190 PolarHBondContact O-N 2.83Å; A186-Q214 HydrophobicContact CB-CG 4.27Å
187	A	98.7	Very high	97.5	Very high	2 Å²	2	43 Å²	43	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-45.7	-179.8	0	0	0	0	0	111.8	N115 H117 A119 G189 L190 K191 I202	N115-A187 HydrophobicContact CB-CB 4.15Å; H117-A187 WeakPolarHBondContact O-CB 3.43Å; H117-A187 PolarHBondContact O-N 3.41Å; A119-A187 HydrophobicContact CB-CB 4.2Å; A187-G189 PolarHBondContact O-N 3.47Å; A187-L190 PolarHBondContact O-N 3.06Å; A187-K191 PolarHBondContact O-N 3.02Å; A187-I202 HydrophobicContact CB-CD1 3.71Å
188	A	98.3	Very high	97.7	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-34	175.5	0	0	0	0	0	114	E114 N115 A186 R192	E114-A188 HydrophobicContact CB-CB 3.69Å; N115-A188 WeakPolarHBondContact O-CB 3.46Å; N115-A188 PolarHBondContact O-N 2.66Å; A186-A188 VanDerWaalsContact C-N 3.33Å; A186-A188 PolarHBondContact O-N 2.84Å; A188-R192 WeakPolarHBondContact O-CB 3.36Å; A188-R192 WeakPolarHBondContact O-CD 3.39Å; A188-R192 VanDerWaalsContact O-CG 3.25Å; A188-R192 WeakPolarHBondContact O-CG 3.14Å; A188-R192 PolarHBondContact O-N 3.37Å
189	G	97.7	Very high	97.9	Very high	9 Å²	9	36.9 Å²	36.9	9%	0.093	19%	0.194	C	C	.	.	H	α-helix	trans	-69.3	-43.9	178	0	0	0	0	0	111.8	A186 A187 M193	A186-G189 PolarHBondContact O-N 2.96Å; A187-G189 PolarHBondContact O-N 3.47Å; G189-M193 WeakPolarHBondContact O-CG 3.33Å; G189-M193 PolarHBondContact O-N 2.77Å
190	L	98.3	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-45.2	175.8	-69.3	171.2	0	0	0	111.3	A119 V121 L185 A186 A187 R192 M193 G194 W195 I199	A119-L190 HydrophobicContact CB-CD1 4.03Å; V121-L190 HydrophobicContact CG2-CD1 3.71Å; V121-L190 HydrophobicContact CG2-CD2 4.38Å; L185-L190 HydrophobicContact CB-CD1 4.12Å; L185-L190 HydrophobicContact CB-CG 4.28Å; L185-L190 HydrophobicContact CD1-CD1 4.42Å; L185-L190 HydrophobicContact CD1-CD2 3.73Å; L185-L190 HydrophobicContact CD1-CG 4.29Å; A186-L190 PolarHBondContact O-N 2.83Å; A187-L190 PolarHBondContact O-N 3.06Å; L190-R192 PolarHBondContact O-N 3.03Å; L190-M193 PolarHBondContact O-N 2.85Å; L190-M193 VanDerWaalsContact O-N 3.13Å; L190-G194 PolarHBondContact O-N 2.83Å; L190-W195 HydrophobicContact CB-CB 4.49Å; L190-W195 HydrophobicContact CD2-CB 4.24Å; L190-W195 HydrophobicContact CD2-CE3 3.92Å; L190-W195 PolarHBondContact O-N 3.48Å; L190-I199 HydrophobicContact CB-CD1 4.2Å; L190-I199 HydrophobicContact CB-CG1 4.25Å; L190-I199 HydrophobicContact CD1-CD1 4.19Å; L190-I199 HydrophobicContact CD1-CG1 3.55Å
191	K	98.3	Very high	97.9	Very high	86 Å²	86	36.8 Å²	36.8	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-48.2	176.8	168.2	161.8	-175.2	-156.5	0	113	E114 A187 M193 G194 E196	E114-K191 VanDerWaalsContact CD-NZ 3.28Å; E114-K191 IonicContact OE1-NZ 3.37Å; E114-K191 PolarHBondContact OE1-NZ 3.21Å; E114-K191 WeakPolarHBondContact OE2-CD 3.38Å; E114-K191 WeakPolarHBondContact OE2-CE 3.43Å; E114-K191 IonicContact OE2-NZ 2.74Å; E114-K191 PolarHBondContact OE2-NZ 3.09Å; A187-K191 PolarHBondContact O-N 3.02Å; K191-M193 PolarHBondContact O-N 3.24Å; K191-G194 PolarHBondContact O-N 3.22Å; K191-E196 HydrophobicContact CB-CG 3.88Å; K191-E196 HydrophobicContact CG-CG 4.2Å; K191-E196 WeakPolarHBondContact CG-OE1 3.24Å
192	R	97.8	Very high	97.9	Very high	43 Å²	43	38.4 Å²	38.4	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-30.7	177.7	-73.1	169.1	-178	147.6	12.1	112.8	L27 I30 A188 L190 G194 G215	L27-R192 HydrophobicContact CD1-CB 3.71Å; I30-R192 HydrophobicContact CG2-CB 4.26Å; I30-R192 WeakPolarHBondContact CG2-O 3.38Å; A188-R192 WeakPolarHBondContact O-CB 3.36Å; A188-R192 WeakPolarHBondContact O-CD 3.39Å; A188-R192 VanDerWaalsContact O-CG 3.25Å; A188-R192 WeakPolarHBondContact O-CG 3.14Å; A188-R192 PolarHBondContact O-N 3.37Å; L190-R192 PolarHBondContact O-N 3.03Å; R192-G194 PolarHBondContact O-N 2.77Å; R192-G215 PolarHBondContact NH2-O 3.47Å
193	M	97.6	Very high	97.9	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.094	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3	176.3	-61.8	-69.4	-65.9	0	0	113.2	Q26 L27 I30 L167 G189 L190 K191 W195	Q26-M193 HydrophobicContact CB-CE 4.44Å; Q26-M193 HydrophobicContact CG-CE 4.04Å; Q26-M193 HydrophobicContact CG-SD 4.35Å; L27-M193 HydrophobicContact CB-SD 3.95Å; L27-M193 HydrophobicContact CD1-CG 4.17Å; L27-M193 HydrophobicContact CD1-SD 4.04Å; I30-M193 HydrophobicContact CD1-SD 3.82Å; L167-M193 HydrophobicContact CD1-CG 3.75Å; L167-M193 HydrophobicContact CD1-SD 4.46Å; G189-M193 WeakPolarHBondContact O-CG 3.33Å; G189-M193 PolarHBondContact O-N 2.77Å; L190-M193 PolarHBondContact O-N 2.85Å; L190-M193 VanDerWaalsContact O-N 3.13Å; K191-M193 PolarHBondContact O-N 3.24Å; M193-W195 VanDerWaalsContact C-N 3.34Å; M193-W195 HydrophobicContact CB-CB 4.46Å; M193-W195 HydrophobicContact CB-CD2 3.48Å; M193-W195 VanDerWaalsContact CB-CD2 3.48Å; M193-W195 HydrophobicContact CB-CE3 3.71Å; M193-W195 HydrophobicContact CB-CG 3.84Å; M193-W195 HydrophobicContact CB-CH2 4.48Å; M193-W195 HydrophobicContact CB-CZ2 4.25Å; M193-W195 HydrophobicContact CB-CZ3 4.23Å; M193-W195 HydrophobicContact CE-CH2 3.5Å; M193-W195 HydrophobicContact CE-CZ2 3.53Å; M193-W195 HydrophobicContact CE-CZ3 4.1Å; M193-W195 HydrophobicContact CG-CD2 4.37Å; M193-W195 HydrophobicContact CG-CE3 4.14Å; M193-W195 HydrophobicContact CG-CZ3 4.26Å; M193-W195 PolarHBondContact O-NE1 2.92Å
194	G	97.8	Very high	97.8	Very high	52 Å²	52	42.8 Å²	42.8	54%	0.536	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	27.9	-172.9	0	0	0	0	0	113.1	L190 K191 R192 E196	L190-G194 PolarHBondContact O-N 2.83Å; K191-G194 PolarHBondContact O-N 3.22Å; R192-G194 PolarHBondContact O-N 2.77Å; G194-E196 WeakPolarHBondContact CA-OE2 3.13Å
195	W	97.9	Very high	97.7	Very high	56 Å²	56	43.8 Å²	43.8	21%	0.212	23%	0.232	C	C	.	.			trans	-112.5	26.7	-173.8	-59	-15.9	0	0	0	113	L167 N168 L171 L190 M193 N197 R198	L167-W195 HydrophobicContact CB-CH2 4.33Å; L167-W195 HydrophobicContact CB-CZ3 3.8Å; N168-W195 WeakPolarHBondContact OD1-CH2 3.38Å; N168-W195 VanDerWaalsContact OD1-CZ2 3.28Å; N168-W195 WeakPolarHBondContact OD1-CZ2 3.32Å; L171-W195 HydrophobicContact CD1-CD2 3.87Å; L171-W195 HydrophobicContact CD1-CE3 3.21Å; L171-W195 HydrophobicContact CD1-CH2 3.81Å; L171-W195 HydrophobicContact CD1-CZ2 4.43Å; L171-W195 HydrophobicContact CD1-CZ3 3.15Å; L171-W195 HydrophobicContact CG-CE3 4.36Å; L171-W195 HydrophobicContact CG-CZ3 4.03Å; L190-W195 HydrophobicContact CB-CB 4.49Å; L190-W195 HydrophobicContact CD2-CB 4.24Å; L190-W195 HydrophobicContact CD2-CE3 3.92Å; L190-W195 PolarHBondContact O-N 3.48Å; M193-W195 VanDerWaalsContact C-N 3.34Å; M193-W195 HydrophobicContact CB-CB 4.46Å; M193-W195 HydrophobicContact CB-CD2 3.48Å; M193-W195 VanDerWaalsContact CB-CD2 3.48Å; M193-W195 HydrophobicContact CB-CE3 3.71Å; M193-W195 HydrophobicContact CB-CG 3.84Å; M193-W195 HydrophobicContact CB-CH2 4.48Å; M193-W195 HydrophobicContact CB-CZ2 4.25Å; M193-W195 HydrophobicContact CB-CZ3 4.23Å; M193-W195 HydrophobicContact CE-CH2 3.5Å; M193-W195 HydrophobicContact CE-CZ2 3.53Å; M193-W195 HydrophobicContact CE-CZ3 4.1Å; M193-W195 HydrophobicContact CG-CD2 4.37Å; M193-W195 HydrophobicContact CG-CE3 4.14Å; M193-W195 HydrophobicContact CG-CZ3 4.26Å; M193-W195 PolarHBondContact O-NE1 2.92Å; W195-N197 PolarHBondContact O-N 2.99Å; W195-R198 HydrophobicContact CB-CB 4.41Å; W195-R198 HydrophobicContact CB-CG 4.08Å; W195-R198 VanDerWaalsContact O-CB 3.3Å; W195-R198 WeakPolarHBondContact O-CB 3.28Å; W195-R198 PolarHBondContact O-N 2.83Å
196	E	96.4	Very high	97.6	Very high	83 Å²	83	50.5 Å²	50.5	39%	0.388	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-55.5	-36.4	176.2	-66.5	95.8	135.6	0	0	111.9	K191 G194 R198 I199	K191-E196 HydrophobicContact CB-CG 3.88Å; K191-E196 HydrophobicContact CG-CG 4.2Å; K191-E196 WeakPolarHBondContact CG-OE1 3.24Å; G194-E196 WeakPolarHBondContact CA-OE2 3.13Å; E196-R198 PolarHBondContact O-N 2.8Å; E196-R198 VanDerWaalsContact O-N 3.09Å; E196-I199 VanDerWaalsContact O-CB 3.27Å; E196-I199 WeakPolarHBondContact O-CB 3.43Å; E196-I199 WeakPolarHBondContact O-CG1 3.5Å; E196-I199 PolarHBondContact O-N 3.23Å
197	N	96.6	Very high	97.4	Very high	166 Å²	166	51 Å²	51	89%	0.888	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-64	-14.6	177.3	-64.4	-26.8	0	0	0	113.8	W195	W195-N197 PolarHBondContact O-N 2.99Å
198	R	97.4	Very high	97.4	Very high	74 Å²	74	51 Å²	51	28%	0.279	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-83.7	-14.5	174.1	-62.2	-62.7	-54.3	-94.3	-0.9	112.5	V121 D175 W195 E196 S200	V121-R198 HydrophobicContact CG1-CB 4.29Å; V121-R198 WeakPolarHBondContact CG1-O 3.28Å; D175-R198 IonicContact OD1-CZ 2.71Å; D175-R198 IonicContact OD1-NH1 3.2Å; D175-R198 IonicContact OD1-NH2 2.69Å; D175-R198 PolarHBondContact OD1-NH2 3.35Å; D175-R198 IonicContact OD2-CZ 2.75Å; D175-R198 IonicContact OD2-NH1 3.32Å; D175-R198 PolarHBondContact OD2-NH1 2.9Å; D175-R198 IonicContact OD2-NH2 2.78Å; D175-R198 PolarHBondContact OD2-NH2 3.24Å; W195-R198 HydrophobicContact CB-CB 4.41Å; W195-R198 HydrophobicContact CB-CG 4.08Å; W195-R198 VanDerWaalsContact O-CB 3.3Å; W195-R198 WeakPolarHBondContact O-CB 3.28Å; W195-R198 PolarHBondContact O-N 2.83Å; E196-R198 PolarHBondContact O-N 2.8Å; E196-R198 VanDerWaalsContact O-N 3.09Å; R198-S200 PolarHBondContact O-N 2.84Å
199	I	97.9	Very high	97.4	Very high	44 Å²	44	51 Å²	51	23%	0.226	26%	0.264	C	S	.	.			trans	-71.9	113	-179	-63.2	172.2	0	0	0	108.6	A119 L190 E196 I202	A119-I199 HydrophobicContact CB-CG1 4.3Å; A119-I199 HydrophobicContact CB-CG2 4.12Å; L190-I199 HydrophobicContact CB-CD1 4.2Å; L190-I199 HydrophobicContact CB-CG1 4.25Å; L190-I199 HydrophobicContact CD1-CD1 4.19Å; L190-I199 HydrophobicContact CD1-CG1 3.55Å; E196-I199 VanDerWaalsContact O-CB 3.27Å; E196-I199 WeakPolarHBondContact O-CB 3.43Å; E196-I199 WeakPolarHBondContact O-CG1 3.5Å; E196-I199 PolarHBondContact O-N 3.23Å; I199-I202 HydrophobicContact CD1-CD1 4.22Å; I199-I202 HydrophobicContact CG2-CD1 3.66Å; I199-I202 HydrophobicContact CG2-CG1 4.07Å
200	S	97.7	Very high	97.5	Very high	60 Å²	60	50.7 Å²	50.7	42%	0.42	26%	0.259	S	S	.	.	S	Bend	trans	-84.4	-31.4	174.9	-47.7	0	0	0	0	111.9	V120 L122 R198	V120-S200 PolarHBondContact O-N 3.23Å; L122-S200 PolarHBondContact N-OG 3.02Å; L122-S200 VanDerWaalsContact N-OG 3.13Å; R198-S200 PolarHBondContact O-N 2.84Å
201	M	96.8	Very high	97.5	Very high	48 Å²	48	51.7 Å²	51.7	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	139.6	-178.7	-172.5	179.3	-164.8	0	0	110.1	A119 V120 L203	A119-M201 CarbonylContact C-O 3.56Å; A119-M201 VanDerWaalsContact CA-O 3.31Å; A119-M201 WeakPolarHBondContact CA-O 3.46Å; V120-M201 HydrophobicContact CB-CB 4.01Å; V120-M201 HydrophobicContact CG2-CB 4.03Å; V120-M201 PolarHBondContact N-O 3.24Å; V120-M201 PolarHBondContact O-N 2.74Å; M201-L203 HydrophobicContact SD-CD2 4.4Å
202	I	98.3	Very high	97.4	Very high	47 Å²	47	48.2 Å²	48.2	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.7	164	-63	-64	0	0	0	107.6	H117 A119 A187 I199	H117-I202 HydrophobicContact CB-CG2 3.61Å; A119-I202 HydrophobicContact CB-CD1 3.99Å; A187-I202 HydrophobicContact CB-CD1 3.71Å; I199-I202 HydrophobicContact CD1-CD1 4.22Å; I199-I202 HydrophobicContact CG2-CD1 3.66Å; I199-I202 HydrophobicContact CG2-CG1 4.07Å
203	L	98.3	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.5	178.9	-64.2	168.9	0	0	0	109.4	H117 D118 V120 L131 L151 I184 M201 D207 C208	H117-L203 PolarHBondContact CD2-O 3.12Å; D118-L203 HydrophobicContact CB-CB 4.47Å; D118-L203 HydrophobicContact CB-CD1 3.94Å; D118-L203 PolarHBondContact O-N 3.29Å; V120-L203 HydrophobicContact CG2-CD1 4.15Å; V120-L203 HydrophobicContact CG2-CD2 3.85Å; V120-L203 HydrophobicContact CG2-CG 3.97Å; L131-L203 HydrophobicContact CD1-CD2 3.97Å; L151-L203 HydrophobicContact CD1-CD1 4.41Å; L151-L203 HydrophobicContact CD2-CD1 4.1Å; L151-L203 HydrophobicContact CD2-CD2 4.47Å; I184-L203 HydrophobicContact CD1-CD1 4.41Å; I184-L203 HydrophobicContact CG2-CD1 4.03Å; M201-L203 HydrophobicContact SD-CD2 4.4Å; L203-D207 HydrophobicContact CD2-CB 4.17Å; L203-C208 HydrophobicContact CB-CB 3.96Å; L203-C208 HydrophobicContact CD1-CB 3.92Å
204	E	97.4	Very high	97.5	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-73.6	163.9	176.7	-65.8	-58.7	144.3	0	0	111.2	E206 D207 C208	E204-E206 WeakPolarHBondContact CB-OE2 3.16Å; E204-E206 PolarHBondContact O-N 3.1Å; E204-E206 VanDerWaalsContact O-N 3.09Å; E204-D207 PolarHBondContact O-N 3.48Å; E204-C208 PolarHBondContact O-N 3.17Å
205	P	96.4	Very high	97.5	Very high	21 Å²	21	43.1 Å²	43.1	14%	0.136	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.8	-177	-26.5	37	0	0	0	114.7	D207 M209 H265	P205-D207 VanDerWaalsContact C-N 3.34Å; P205-M209 HydrophobicContact CB-CG 4.13Å; P205-M209 WeakPolarHBondContact O-CG 3.26Å; P205-H265 HydrophobicContact CB-CB 4.45Å; P205-H265 WeakPolarHBondContact CG-CD2 3.47Å
206	E	94.9	Very high	97.5	Very high	144 Å²	144	40.5 Å²	40.5	67%	0.673	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.1	175	-64.1	68.9	-147.1	0	0	112.1	E204	E204-E206 WeakPolarHBondContact CB-OE2 3.16Å; E204-E206 PolarHBondContact O-N 3.1Å; E204-E206 VanDerWaalsContact O-N 3.09Å
207	D	95.7	Very high	97.7	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.128	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-45.6	-179.8	-64.2	-42.6	0	0	0	111.9	R154 L203 E204 P205	R154-D207 HydrophobicContact CG-CB 4.5Å; R154-D207 IonicContact CZ-OD1 3.52Å; R154-D207 IonicContact NE-OD1 3.23Å; R154-D207 PolarHBondContact NE-OD1 2.71Å; R154-D207 IonicContact NH2-OD1 2.83Å; L203-D207 HydrophobicContact CD2-CB 4.17Å; E204-D207 PolarHBondContact O-N 3.48Å; P205-D207 VanDerWaalsContact C-N 3.34Å
208	C	98.3	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.			trans	-157.8	99.5	-178.1	-169.3	0	0	0	0	112.5	D118 R146 L151 L203 E204	D118-C208 PolarHBondContact OD2-SG 2.88Å; R146-C208 PolarHBondContact NH1-SG 3.05Å; L151-C208 HydrophobicContact CD2-CB 4.07Å; L203-C208 HydrophobicContact CB-CB 3.96Å; L203-C208 HydrophobicContact CD1-CB 3.92Å; E204-C208 PolarHBondContact O-N 3.17Å
209	M	98.6	Very high	97.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.02	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-65.1	146.2	169.5	-72.8	-173.9	-69.1	0	0	111.3	R146 Q150 P205 A263 H265 T276 A278 Y280 K289	R146-M209 PolarHBondContact NH1-O 2.99Å; Q150-M209 PolarHBondContact NE2-O 2.91Å; P205-M209 HydrophobicContact CB-CG 4.13Å; P205-M209 WeakPolarHBondContact O-CG 3.26Å; M209-A263 HydrophobicContact CB-CB 3.64Å; M209-A263 HydrophobicContact CE-CB 4.49Å; M209-H265 HydrophobicContact CG-CB 4.21Å; M209-H265 HydrophobicContact SD-CB 4.18Å; M209-T276 HydrophobicContact CE-CG2 4.49Å; M209-T276 HydrophobicContact SD-CG2 3.66Å; M209-A278 HydrophobicContact CE-CB 3.39Å; M209-Y280 WeakPolarHBondContact CE-OH 3.38Å; M209-K289 HydrophobicContact CE-CD 3.66Å; M209-K289 HydrophobicContact CE-CG 4.07Å; M209-K289 HydrophobicContact SD-CD 4.32Å
210	Y	98.6	Very high	97.8	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-83.7	169	-169.8	49.2	-104.1	0	0	0	113.8	P116 R243 A263 V264 H265 T266	P116-Y210 HydrophobicContact CB-CD1 3.8Å; P116-Y210 HydrophobicContact CB-CD2 4.14Å; P116-Y210 HydrophobicContact CB-CE1 3.76Å; P116-Y210 HydrophobicContact CB-CE2 4.1Å; P116-Y210 HydrophobicContact CB-CG 3.98Å; P116-Y210 HydrophobicContact CG-CD1 3.95Å; P116-Y210 HydrophobicContact CG-CE1 3.56Å; P116-Y210 WeakPolarHBondContact O-CB 3.35Å; Y210-R243 PolarHBondContact OH-NH2 2.9Å; Y210-A263 WeakPolarHBondContact O-CA 3.42Å; Y210-V264 HydrophobicContact CD2-CG2 3.9Å; Y210-V264 VanDerWaalsContact CD2-O 3.26Å; Y210-V264 WeakPolarHBondContact CD2-O 3.49Å; Y210-V264 HydrophobicContact CE2-CG2 3.91Å; Y210-V264 WeakPolarHBondContact CE2-O 3.38Å; Y210-V264 PolarHBondContact N-O 3.05Å; Y210-V264 PolarHBondContact O-N 2.74Å; Y210-H265 HydrophobicContact CE1-CB 4.31Å; Y210-H265 AromaticContact CE1-CD2 3.72Å; Y210-T266 PolarHBondContact OH-N 2.8Å; Y210-T266 PolarHBondContact OH-O 3.32Å; Y210-T266 PolarHBondContact OH-OG1 3Å
211	A	97.7	Very high	97.9	Very high	21 Å²	21	20.5 Å²	20.5	17%	0.174	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-74.1	149.2	172.8	0	0	0	0	0	110.8	G213 Q214	A211-G213 PolarHBondContact O-N 2.89Å; A211-Q214 HydrophobicContact CB-CB 4.24Å; A211-Q214 WeakPolarHBondContact O-CB 3.31Å; A211-Q214 PolarHBondContact O-N 3.34Å
212	V	97.9	Very high	97.9	Very high	13 Å²	13	19.6 Å²	19.6	8%	0.079	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	127.4	171.8	165.9	0	0	0	0	110.5	K95 Q214 E247 R248 L251 V264	K95-V212 WeakPolarHBondContact CA-O 3.44Å; K95-V212 WeakPolarHBondContact CB-O 3.49Å; V212-Q214 PolarHBondContact O-N 3.44Å; V212-E247 HydrophobicContact CB-CB 4.3Å; V212-E247 HydrophobicContact CG1-CB 3.83Å; V212-E247 HydrophobicContact CG2-CB 4.16Å; V212-R248 HydrophobicContact CG1-CB 4.5Å; V212-R248 HydrophobicContact CG1-CG 3.83Å; V212-L251 HydrophobicContact CB-CD2 4Å; V212-L251 HydrophobicContact CG1-CB 4.37Å; V212-L251 HydrophobicContact CG1-CD2 4.03Å; V212-L251 HydrophobicContact CG2-CB 4Å; V212-L251 HydrophobicContact CG2-CD2 4.11Å; V212-L251 HydrophobicContact CG2-CG 4.49Å; V212-V264 HydrophobicContact CB-CG2 4.44Å; V212-V264 HydrophobicContact CG2-CB 4.44Å; V212-V264 HydrophobicContact CG2-CG1 3.72Å; V212-V264 HydrophobicContact CG2-CG2 3.8Å
213	G	97.9	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	4.2	-178.7	0	0	0	0	0	115.5	A211 G215 A216 E247	A211-G213 PolarHBondContact O-N 2.89Å; G213-G215 PolarHBondContact O-N 2.84Å; G213-A216 PolarHBondContact O-N 3.19Å; G213-E247 PolarHBondContact N-OE2 2.98Å
214	Q	98.6	Very high	97.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.3	-179.7	-177.1	158	-87.1	0	0	111.3	K95 R113 P116 D118 A186 A211 V212 A216	K95-Q214 HydrophobicContact CD-CB 4.22Å; K95-Q214 HydrophobicContact CD-CG 4.28Å; K95-Q214 VanDerWaalsContact NZ-OE1 3.16Å; R113-Q214 VanDerWaalsContact CZ-O 3.31Å; R113-Q214 PolarHBondContact NE-O 3.24Å; R113-Q214 PolarHBondContact NH2-O 3.22Å; P116-Q214 WeakPolarHBondContact CB-O 3.43Å; P116-Q214 WeakPolarHBondContact O-CG 3.49Å; P116-Q214 PolarHBondContact O-NE2 3.09Å; D118-Q214 PolarHBondContact OD1-NE2 2.92Å; A186-Q214 HydrophobicContact CB-CG 4.27Å; A211-Q214 HydrophobicContact CB-CB 4.24Å; A211-Q214 WeakPolarHBondContact O-CB 3.31Å; A211-Q214 PolarHBondContact O-N 3.34Å; V212-Q214 PolarHBondContact O-N 3.44Å; Q214-A216 VanDerWaalsContact C-N 3.31Å; Q214-A216 PolarHBondContact O-N 2.77Å
215	G	98.2	Very high	97.4	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-22.3	-178.9	0	0	0	0	0	114.2	E114 R192 G213	E114-G215 PolarHBondContact N-O 2.94Å; E114-G215 VanDerWaalsContact N-O 3.14Å; R192-G215 PolarHBondContact NH2-O 3.47Å; G213-G215 PolarHBondContact O-N 2.84Å
216	A	98.7	Very high	97.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	14%	0.14	C	C	.	.			trans	-82.4	145	174.8	0	0	0	0	0	111.4	L94 V110 R113 G213 Q214 T240	L94-A216 HydrophobicContact CB-CB 4Å; L94-A216 HydrophobicContact CD2-CB 3.95Å; L94-A216 PolarHBondContact N-O 3.29Å; V110-A216 HydrophobicContact CG1-CB 4.2Å; R113-A216 HydrophobicContact CG-CB 4.1Å; G213-A216 PolarHBondContact O-N 3.19Å; Q214-A216 VanDerWaalsContact C-N 3.31Å; Q214-A216 PolarHBondContact O-N 2.77Å; A216-T240 HydrophobicContact CB-CG2 3.98Å
217	L	98.7	Very high	97.2	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.5	162.8	-64.2	-178.9	0	0	0	109.2	Q31 V35 H92 L111	Q31-L217 HydrophobicContact CB-CD1 4.04Å; Q31-L217 HydrophobicContact CB-CD2 3.96Å; Q31-L217 VanDerWaalsContact CD-CD2 3.49Å; Q31-L217 HydrophobicContact CG-CD1 4.2Å; Q31-L217 HydrophobicContact CG-CD2 3.67Å; V35-L217 HydrophobicContact CG2-CD1 4.3Å; H92-L217 CarbonylContact O-C 3.59Å; H92-L217 WeakPolarHBondContact O-CA 3.13Å; L111-L217 HydrophobicContact CB-CB 4.36Å; L111-L217 HydrophobicContact CD1-CB 4.45Å; L111-L217 PolarHBondContact N-O 2.78Å
218	A	98.4	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.6	177.8	0	0	0	0	0	109.7	H92 L94 L97 I107 A109	H92-A218 PolarHBondContact N-O 3.4Å; H92-A218 PolarHBondContact O-N 3.31Å; L94-A218 HydrophobicContact CB-CB 4.01Å; L94-A218 HydrophobicContact CD1-CB 3.76Å; L94-A218 HydrophobicContact CG-CB 4.41Å; L97-A218 HydrophobicContact CD1-CB 3.71Å; I107-A218 HydrophobicContact CG2-CB 3.86Å; A109-A218 CarbonylContact O-C 3.55Å; A109-A218 VanDerWaalsContact O-CA 3.3Å; A109-A218 WeakPolarHBondContact O-CA 3.33Å
219	V	98.6	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.7	171.5	-176.4	0	0	0	0	107.9	V35 L89 V90 I107 G108 A109 L111 V221 V232 L235	V35-V219 HydrophobicContact CG1-CG2 4.01Å; L89-V219 HydrophobicContact CB-CG1 3.77Å; L89-V219 HydrophobicContact CD1-CG1 3.67Å; L89-V219 HydrophobicContact CG-CG1 4.24Å; V90-V219 CarbonylContact O-C 3.59Å; V90-V219 WeakPolarHBondContact O-CA 3.36Å; I107-V219 CarbonylContact C-O 3.59Å; I107-V219 WeakPolarHBondContact CA-O 3.26Å; G108-V219 PolarHBondContact N-O 3.16Å; A109-V219 HydrophobicContact CB-CB 3.89Å; A109-V219 HydrophobicContact CB-CG2 3.94Å; A109-V219 PolarHBondContact N-O 3.45Å; A109-V219 PolarHBondContact O-N 3.42Å; L111-V219 HydrophobicContact CD1-CG2 3.87Å; V219-V221 HydrophobicContact CG1-CG1 3.96Å; V219-V232 HydrophobicContact CG1-CB 4.4Å; V219-V232 HydrophobicContact CG1-CG1 4.04Å; V219-L235 HydrophobicContact CG2-CD1 4.32Å
220	E	98.5	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.7	174.7	-176.3	171.5	-142.1	0	0	110	L82 L89 V90 H92 L101 F105 T106	L82-E220 HydrophobicContact CD1-CB 4.47Å; L82-E220 HydrophobicContact CD1-CG 3.91Å; L89-E220 CarbonylContact C-O 3.56Å; L89-E220 WeakPolarHBondContact CA-O 3.44Å; V90-E220 PolarHBondContact N-O 2.87Å; V90-E220 PolarHBondContact O-N 2.8Å; H92-E220 IonicContact CD2-OE2 3.94Å; H92-E220 IonicContact CE1-OE2 3.72Å; H92-E220 IonicContact NE2-OE2 3.45Å; H92-E220 PolarHBondContact NE2-OE2 3.13Å; L101-E220 HydrophobicContact CD2-CG 4.29Å; L101-E220 VanDerWaalsContact CD2-OE1 3.28Å; L101-E220 WeakPolarHBondContact CD2-OE1 3.24Å; F105-E220 HydrophobicContact CB-CG 4.37Å; T106-E220 WeakPolarHBondContact O-CA 3.42Å
221	V	98.3	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.9	-175.9	-54.4	0	0	0	0	110	L89 F105 T106 V219 A223 I228 L229 V232	L89-V221 HydrophobicContact CB-CG1 3.82Å; F105-V221 WeakPolarHBondContact CA-O 3.34Å; T106-V221 HydrophobicContact CG2-CG2 3.67Å; T106-V221 PolarHBondContact N-O 3.37Å; T106-V221 PolarHBondContact O-N 2.9Å; V219-V221 HydrophobicContact CG1-CG1 3.96Å; V221-A223 PolarHBondContact O-N 2.83Å; V221-I228 HydrophobicContact CB-CG2 4Å; V221-I228 HydrophobicContact CG1-CG2 3.6Å; V221-L229 HydrophobicContact CG2-CD2 3.59Å; V221-L229 HydrophobicContact CG2-CG 3.97Å; V221-V232 HydrophobicContact CG1-CG2 4.28Å
222	R	97.6	Very high	96.8	Very high	28 Å²	28	28.8 Å²	28.8	11%	0.106	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.5	168.7	-69.4	171.5	-69.8	-89.1	4.1	110.1	L82 N85 V87 D88 G104 R224 D225	L82-R222 HydrophobicContact CB-CG 4.49Å; L82-R222 WeakPolarHBondContact O-CD 3.47Å; L82-R222 PolarHBondContact O-NH1 3.1Å; N85-R222 PolarHBondContact OD1-NE 3.4Å; N85-R222 PolarHBondContact OD1-NH1 3.4Å; V87-R222 PolarHBondContact O-NH1 3.26Å; D88-R222 IonicContact OD1-NH2 3.66Å; D88-R222 PolarHBondContact OD1-NH2 2.86Å; G104-R222 CarbonylContact O-C 3.51Å; G104-R222 WeakPolarHBondContact O-CA 3.31Å; R222-R224 PolarHBondContact O-N 3.18Å; R222-R224 VanDerWaalsContact O-N 3.16Å; R222-D225 HydrophobicContact CB-CB 3.84Å; R222-D225 IonicContact CZ-OD2 3.12Å; R222-D225 IonicContact NE-OD2 3.71Å; R222-D225 PolarHBondContact NE-OD2 2.86Å; R222-D225 VanDerWaalsContact NE-OD2 3.12Å; R222-D225 IonicContact NH2-OD2 3.05Å; R222-D225 PolarHBondContact NH2-OD2 2.57Å; R222-D225 PolarHBondContact O-N 3.18Å; R222-D225 VanDerWaalsContact O-N 3.15Å
223	A	95.4	Very high	96.7	Very high	21 Å²	21	28.3 Å²	28.3	17%	0.174	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.5	-176.1	0	0	0	0	0	114.3	G104 T106 V221	G104-A223 WeakPolarHBondContact O-CB 3.42Å; G104-A223 PolarHBondContact O-N 2.74Å; T106-A223 HydrophobicContact CG2-CB 4.32Å; V221-A223 PolarHBondContact O-N 2.83Å
224	R	93.4	Very high	96.6	Very high	241 Å²	241	31.1 Å²	31.1	91%	0.909	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	3.9	-179.9	-62.7	-175.9	179.7	-179.7	0.1	113.5	R222 A226	R222-R224 PolarHBondContact O-N 3.18Å; R222-R224 VanDerWaalsContact O-N 3.16Å; R224-A226 PolarHBondContact O-N 3.01Å
225	D	95.4	Very high	96.5	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	16%	0.161	C	C	.	.			trans	-91.4	83.5	179.9	-165.5	-25.7	0	0	0	109.7	R222 D227 I228 L229	R222-D225 HydrophobicContact CB-CB 3.84Å; R222-D225 IonicContact CZ-OD2 3.12Å; R222-D225 IonicContact NE-OD2 3.71Å; R222-D225 PolarHBondContact NE-OD2 2.86Å; R222-D225 VanDerWaalsContact NE-OD2 3.12Å; R222-D225 IonicContact NH2-OD2 3.05Å; R222-D225 PolarHBondContact NH2-OD2 2.57Å; R222-D225 PolarHBondContact O-N 3.18Å; R222-D225 VanDerWaalsContact O-N 3.15Å; D225-D227 VanDerWaalsContact C-N 3.28Å; D225-D227 PolarHBondContact O-N 3.25Å; D225-I228 HydrophobicContact CB-CB 4.33Å; D225-I228 VanDerWaalsContact CG-CG1 3.47Å; D225-I228 PolarHBondContact O-N 3.29Å; D225-I228 WeakPolarHBondContact OD1-CG1 3.46Å; D225-I228 PolarHBondContact OD1-N 3.14Å; D225-I228 WeakPolarHBondContact OD2-CG1 3.41Å; D225-L229 WeakPolarHBondContact O-CB 3.43Å; D225-L229 WeakPolarHBondContact O-CG 3.17Å; D225-L229 PolarHBondContact O-N 3.45Å
226	A	93.9	Very high	96.5	Very high	52 Å²	52	32.5 Å²	32.5	43%	0.43	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-35.4	-174.8	0	0	0	0	0	112.7	R224 L229 E230	R224-A226 PolarHBondContact O-N 3.01Å; A226-L229 PolarHBondContact O-N 2.9Å; A226-E230 WeakPolarHBondContact O-CB 3.36Å; A226-E230 PolarHBondContact O-N 3.06Å
227	D	93.8	Very high	96.5	Very high	100 Å²	100	34.3 Å²	34.3	54%	0.535	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-48.4	179.7	-66	-13.1	0	0	0	111	R16 D225 E230 M231	R16-D227 IonicContact CZ-OD2 3.77Å; R16-D227 IonicContact NH1-OD2 3.47Å; R16-D227 PolarHBondContact NH1-OD2 3.48Å; R16-D227 IonicContact NH2-OD2 2.74Å; D225-D227 VanDerWaalsContact C-N 3.28Å; D225-D227 PolarHBondContact O-N 3.25Å; D227-E230 PolarHBondContact O-N 3.32Å; D227-M231 WeakPolarHBondContact O-CB 3.45Å; D227-M231 PolarHBondContact O-N 3.02Å
228	I	96.3	Very high	96.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-41.3	178.4	-63.1	-61.9	0	0	0	110.3	I18 D88 L89 V221 D225 E230 M231 V232	I18-I228 HydrophobicContact CD1-CD1 3.85Å; I18-I228 HydrophobicContact CG2-CD1 4.46Å; D88-I228 HydrophobicContact CB-CD1 3.95Å; D88-I228 HydrophobicContact CB-CG1 4.32Å; L89-I228 HydrophobicContact CB-CG2 4.38Å; V221-I228 HydrophobicContact CB-CG2 4Å; V221-I228 HydrophobicContact CG1-CG2 3.6Å; D225-I228 HydrophobicContact CB-CB 4.33Å; D225-I228 VanDerWaalsContact CG-CG1 3.47Å; D225-I228 PolarHBondContact O-N 3.29Å; D225-I228 WeakPolarHBondContact OD1-CG1 3.46Å; D225-I228 PolarHBondContact OD1-N 3.14Å; D225-I228 WeakPolarHBondContact OD2-CG1 3.41Å; I228-E230 PolarHBondContact O-N 3.05Å; I228-M231 HydrophobicContact CD1-CE 3.9Å; I228-M231 HydrophobicContact CG2-CE 4.39Å; I228-M231 PolarHBondContact O-N 3.01Å; I228-V232 HydrophobicContact CG2-CG1 4.24Å; I228-V232 WeakPolarHBondContact O-CG1 3.47Å; I228-V232 WeakPolarHBondContact O-CG2 3.15Å; I228-V232 PolarHBondContact O-N 3.41Å
229	L	96	Very high	96.4	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-48.2	175.7	-82.7	168.1	0	0	0	112.2	T106 V221 D225 A226 V232 S233 T317 M319	T106-L229 HydrophobicContact CG2-CD2 3.71Å; V221-L229 HydrophobicContact CG2-CD2 3.59Å; V221-L229 HydrophobicContact CG2-CG 3.97Å; D225-L229 WeakPolarHBondContact O-CB 3.43Å; D225-L229 WeakPolarHBondContact O-CG 3.17Å; D225-L229 PolarHBondContact O-N 3.45Å; A226-L229 PolarHBondContact O-N 2.9Å; L229-V232 PolarHBondContact O-N 3.38Å; L229-S233 VanDerWaalsContact O-CB 3.29Å; L229-S233 WeakPolarHBondContact O-CB 3.37Å; L229-S233 PolarHBondContact O-N 3.18Å; L229-T317 HydrophobicContact CD2-CG2 4.08Å; L229-M319 HydrophobicContact CB-CE 4.22Å
230	E	94.2	Very high	96.4	Very high	92 Å²	92	41.1 Å²	41.1	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-45.2	177.8	-176.3	54.4	-141.1	0	0	110.8	A226 D227 I228 V232 S233 K320	A226-E230 WeakPolarHBondContact O-CB 3.36Å; A226-E230 PolarHBondContact O-N 3.06Å; D227-E230 PolarHBondContact O-N 3.32Å; I228-E230 PolarHBondContact O-N 3.05Å; E230-V232 PolarHBondContact O-N 2.96Å; E230-S233 PolarHBondContact O-N 3.23Å; E230-S233 PolarHBondContact O-OG 3.13Å; E230-K320 WeakPolarHBondContact OE1-CE 3.39Å; E230-K320 IonicContact OE1-NZ 3.63Å; E230-K320 PolarHBondContact OE1-NZ 2.96Å
231	M	95	Very high	96.4	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.054	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-45.5	178.4	-179.2	-169	72.3	0	0	112.6	I18 L39 Y43 F46 L89 D227 I228 V234	I18-M231 HydrophobicContact CD1-SD 4.22Å; I18-M231 HydrophobicContact CG1-SD 4.09Å; I18-M231 HydrophobicContact CG2-CE 3.84Å; I18-M231 HydrophobicContact CG2-SD 4.46Å; L39-M231 HydrophobicContact CD2-CG 4.47Å; Y43-M231 HydrophobicContact CD2-CG 4.02Å; Y43-M231 HydrophobicContact CE2-CG 3.65Å; Y43-M231 PolarHBondContact OH-O 2.84Å; F46-M231 HydrophobicContact CD2-SD 3.77Å; F46-M231 HydrophobicContact CE2-CG 4.09Å; F46-M231 HydrophobicContact CE2-SD 3.64Å; L89-M231 HydrophobicContact CD2-CE 3.68Å; D227-M231 WeakPolarHBondContact O-CB 3.45Å; D227-M231 PolarHBondContact O-N 3.02Å; I228-M231 HydrophobicContact CD1-CE 3.9Å; I228-M231 HydrophobicContact CG2-CE 4.39Å; I228-M231 PolarHBondContact O-N 3.01Å; M231-V234 VanDerWaalsContact O-CG2 3.28Å; M231-V234 WeakPolarHBondContact O-CG2 3.44Å
232	V	97.2	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-81.4	-18.8	-177.5	-56.2	0	0	0	0	112.8	L89 A109 V219 V221 I228 L229 E230 V234 L235	L89-V232 HydrophobicContact CD2-CG1 4.04Å; A109-V232 HydrophobicContact CB-CB 4.16Å; A109-V232 HydrophobicContact CB-CG2 4.25Å; A109-V232 WeakPolarHBondContact CB-O 3.33Å; V219-V232 HydrophobicContact CG1-CB 4.4Å; V219-V232 HydrophobicContact CG1-CG1 4.04Å; V221-V232 HydrophobicContact CG1-CG2 4.28Å; I228-V232 HydrophobicContact CG2-CG1 4.24Å; I228-V232 WeakPolarHBondContact O-CG1 3.47Å; I228-V232 WeakPolarHBondContact O-CG2 3.15Å; I228-V232 PolarHBondContact O-N 3.41Å; L229-V232 PolarHBondContact O-N 3.38Å; E230-V232 PolarHBondContact O-N 2.96Å; V232-V234 PolarHBondContact O-N 2.72Å; V232-V234 VanDerWaalsContact O-N 3.09Å; V232-L235 VanDerWaalsContact O-CB 3.26Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 WeakPolarHBondContact O-CG 3.49Å; V232-L235 PolarHBondContact O-N 2.75Å
233	S	95.9	Very high	96.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-27.4	-176.9	70.4	0	0	0	0	114	L229 E230 L235 H236 K320	L229-S233 VanDerWaalsContact O-CB 3.29Å; L229-S233 WeakPolarHBondContact O-CB 3.37Å; L229-S233 PolarHBondContact O-N 3.18Å; E230-S233 PolarHBondContact O-N 3.23Å; E230-S233 PolarHBondContact O-OG 3.13Å; S233-L235 PolarHBondContact O-N 3.21Å; S233-H236 WeakPolarHBondContact O-CB 3.43Å; S233-H236 PolarHBondContact O-CD2 2.95Å; S233-H236 VanDerWaalsContact O-CD2 3.31Å; S233-H236 PolarHBondContact O-N 2.92Å; S233-K320 VanDerWaalsContact OG-CE 3.28Å; S233-K320 WeakPolarHBondContact OG-CE 3.48Å; S233-K320 PolarHBondContact OG-NZ 3.4Å
234	V	95.9	Very high	96.6	Very high	59 Å²	59	41.1 Å²	41.1	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.9	176.8	-57.9	0	0	0	0	113.2	L42 Y43 M231 V232 H236	L42-V234 HydrophobicContact CD1-CB 4.34Å; L42-V234 HydrophobicContact CD1-CG2 3.53Å; Y43-V234 HydrophobicContact CE2-CG2 4.08Å; Y43-V234 WeakPolarHBondContact OH-CG1 3.2Å; M231-V234 VanDerWaalsContact O-CG2 3.28Å; M231-V234 WeakPolarHBondContact O-CG2 3.44Å; V232-V234 PolarHBondContact O-N 2.72Å; V232-V234 VanDerWaalsContact O-N 3.09Å; V234-H236 VanDerWaalsContact C-N 3.32Å
235	L	97.8	Very high	96.8	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.089	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.5	178.8	-58.6	178.3	0	0	0	112.8	V35 K38 L39 L42 A109 L111 V219 V232 S233 D237	V35-L235 HydrophobicContact CG1-CD1 3.98Å; K38-L235 HydrophobicContact CB-CD2 3.94Å; L39-L235 HydrophobicContact CD1-CD1 4.45Å; L39-L235 HydrophobicContact CD2-CD1 3.78Å; L39-L235 HydrophobicContact CD2-CD2 4.22Å; L39-L235 HydrophobicContact CD2-CG 4.1Å; L39-L235 HydrophobicContact CG-CD1 4.01Å; L42-L235 HydrophobicContact CD1-CD2 4.13Å; A109-L235 HydrophobicContact CB-CB 3.89Å; A109-L235 HydrophobicContact CB-CD1 4.47Å; L111-L235 HydrophobicContact CD1-CB 4.18Å; L111-L235 HydrophobicContact CD1-CD1 4.44Å; L111-L235 HydrophobicContact CG-CB 4.17Å; V219-L235 HydrophobicContact CG2-CD1 4.32Å; V232-L235 VanDerWaalsContact O-CB 3.26Å; V232-L235 WeakPolarHBondContact O-CB 3.48Å; V232-L235 WeakPolarHBondContact O-CG 3.49Å; V232-L235 PolarHBondContact O-N 2.75Å; S233-L235 PolarHBondContact O-N 3.21Å; L235-D237 PolarHBondContact O-N 2.98Å
236	H	97.9	Very high	97	Very high	21 Å²	21	28.4 Å²	28.4	10%	0.097	16%	0.158	C	C	.	.			trans	-60.6	131.8	177.1	-81.7	-62.2	0	0	0	111.1	G108 A109 V110 S233 V234 V241 T317	G108-H236 PolarHBondContact O-CE1 3.33Å; G108-H236 PolarHBondContact O-NE2 3.04Å; A109-H236 WeakPolarHBondContact CA-CE1 3.46Å; V110-H236 PolarHBondContact N-CE1 2.79Å; V110-H236 VanDerWaalsContact N-CE1 3.32Å; V110-H236 PolarHBondContact N-ND1 3.48Å; V110-H236 WeakPolarHBondContact O-CA 3.34Å; S233-H236 WeakPolarHBondContact O-CB 3.43Å; S233-H236 PolarHBondContact O-CD2 2.95Å; S233-H236 VanDerWaalsContact O-CD2 3.31Å; S233-H236 PolarHBondContact O-N 2.92Å; V234-H236 VanDerWaalsContact C-N 3.32Å; H236-V241 HydrophobicContact CB-CG2 4.06Å; H236-V241 WeakPolarHBondContact ND1-CG2 3.47Å; H236-T317 PolarHBondContact NE2-O 2.89Å
237	D	98.2	Very high	97.2	Very high	38 Å²	38	26 Å²	26	20%	0.203	14%	0.138	C	C	.	.			trans	-100.4	112.4	163	176.2	86.5	0	0	0	108.4	V110 K112 L235 D239 T240 V241	V110-D237 PolarHBondContact O-N 3.45Å; K112-D237 VanDerWaalsContact CA-CB 3.41Å; K112-D237 HydrophobicContact CB-CB 3.84Å; L235-D237 PolarHBondContact O-N 2.98Å; D237-D239 VanDerWaalsContact C-N 3.33Å; D237-D239 PolarHBondContact O-N 3.03Å; D237-T240 PolarHBondContact O-N 3.24Å; D237-T240 WeakPolarHBondContact OD2-CB 3.49Å; D237-T240 PolarHBondContact OD2-N 2.68Å; D237-T240 PolarHBondContact OD2-OG1 2.93Å; D237-V241 WeakPolarHBondContact O-CG2 3.4Å; D237-V241 PolarHBondContact O-N 3.24Å
238	P	96.6	Very high	97.4	Very high	67 Å²	67	21.3 Å²	21.3	44%	0.435	11%	0.113	S	C	.	.	H	α-helix	trans	-55	-44.3	-171.5	-29.2	35.5	0	0	0	113.9	T240 V241 L242 V321	P238-T240 PolarHBondContact O-N 2.97Å; P238-V241 WeakPolarHBondContact O-CB 3.4Å; P238-V241 PolarHBondContact O-N 3.24Å; P238-L242 WeakPolarHBondContact O-CG 3.28Å; P238-L242 PolarHBondContact O-N 3.01Å; P238-V321 HydrophobicContact CB-CG2 4.24Å; P238-V321 HydrophobicContact CG-CG2 4.46Å
239	D	97.6	Very high	97.5	Very high	80 Å²	80	21.4 Å²	21.4	43%	0.428	11%	0.114	S	C	.	.	H	α-helix	trans	-62.7	-43.2	178.2	-79.3	3.3	0	0	0	111.6	D237 R243 V268	D237-D239 VanDerWaalsContact C-N 3.33Å; D237-D239 PolarHBondContact O-N 3.03Å; D239-R243 WeakPolarHBondContact O-CB 3.39Å; D239-R243 WeakPolarHBondContact O-CD 3.27Å; D239-R243 WeakPolarHBondContact O-CG 3.5Å; D239-R243 PolarHBondContact O-N 3.06Å; D239-R243 VanDerWaalsContact O-N 3.08Å; D239-V268 HydrophobicContact CB-CG2 4.49Å
240	T	98.7	Very high	97.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-41.2	177.2	-55.7	0	0	0	0	111.5	V110 L111 R113 A216 D237 P238 R243 C244	V110-T240 HydrophobicContact CG1-CG2 3.75Å; L111-T240 WeakPolarHBondContact O-CG2 3.31Å; R113-T240 HydrophobicContact CB-CG2 3.67Å; R113-T240 WeakPolarHBondContact CB-OG1 3.28Å; R113-T240 HydrophobicContact CG-CG2 4.07Å; R113-T240 PolarHBondContact N-OG1 3.33Å; A216-T240 HydrophobicContact CB-CG2 3.98Å; D237-T240 PolarHBondContact O-N 3.24Å; D237-T240 WeakPolarHBondContact OD2-CB 3.49Å; D237-T240 PolarHBondContact OD2-N 2.68Å; D237-T240 PolarHBondContact OD2-OG1 2.93Å; P238-T240 PolarHBondContact O-N 2.97Å; T240-R243 PolarHBondContact O-N 3.43Å; T240-C244 VanDerWaalsContact O-CB 3.24Å; T240-C244 WeakPolarHBondContact O-CB 3.44Å; T240-C244 PolarHBondContact O-N 3.24Å; T240-C244 PolarHBondContact O-SG 3.09Å; T240-C244 VanDerWaalsContact O-SG 3.32Å
241	V	98.6	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-55	-55.3	175	169.3	0	0	0	0	110.4	V110 H236 D237 P238 R243 C244 I245 A318 V321	V110-V241 HydrophobicContact CB-CG2 3.91Å; V110-V241 HydrophobicContact CG2-CG2 4.49Å; H236-V241 HydrophobicContact CB-CG2 4.06Å; H236-V241 WeakPolarHBondContact ND1-CG2 3.47Å; D237-V241 WeakPolarHBondContact O-CG2 3.4Å; D237-V241 PolarHBondContact O-N 3.24Å; P238-V241 WeakPolarHBondContact O-CB 3.4Å; P238-V241 PolarHBondContact O-N 3.24Å; V241-R243 PolarHBondContact O-N 2.88Å; V241-C244 PolarHBondContact O-N 3.49Å; V241-I245 HydrophobicContact CG1-CD1 3.69Å; V241-I245 HydrophobicContact CG1-CG1 4.37Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.32Å; V241-A318 HydrophobicContact CG1-CB 3.83Å; V241-V321 HydrophobicContact CB-CG2 4.26Å; V241-V321 HydrophobicContact CG1-CB 4.48Å; V241-V321 HydrophobicContact CG1-CG1 4.39Å; V241-V321 HydrophobicContact CG1-CG2 4.11Å; V241-V321 HydrophobicContact CG2-CG2 4.28Å
242	L	98.6	Very high	97.8	Very high	8 Å²	8	22 Å²	22	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-45.2	-176.7	-65.2	177.7	0	0	0	111.8	P238 C244 I245 A246 I296 V321 A325 Q326 A329	P238-L242 WeakPolarHBondContact O-CG 3.28Å; P238-L242 PolarHBondContact O-N 3.01Å; L242-C244 VanDerWaalsContact C-N 3.34Å; L242-C244 PolarHBondContact O-N 2.93Å; L242-I245 PolarHBondContact O-N 3.36Å; L242-A246 PolarHBondContact O-N 2.84Å; L242-A246 VanDerWaalsContact O-N 3.12Å; L242-I296 HydrophobicContact CD1-CB 4.14Å; L242-I296 HydrophobicContact CD1-CD1 3.62Å; L242-I296 HydrophobicContact CD1-CG1 4.47Å; L242-I296 HydrophobicContact CD1-CG2 4.34Å; L242-V321 HydrophobicContact CD2-CG1 3.87Å; L242-V321 HydrophobicContact CG-CG1 4.21Å; L242-A325 HydrophobicContact CD1-CB 4.11Å; L242-A325 VanDerWaalsContact CD2-C 3.45Å; L242-A325 HydrophobicContact CD2-CB 3.89Å; L242-A325 WeakPolarHBondContact CD2-O 3.29Å; L242-Q326 HydrophobicContact CD2-CB 4.41Å; L242-Q326 HydrophobicContact CD2-CG 4.07Å; L242-A329 HydrophobicContact CB-CB 4.34Å; L242-A329 HydrophobicContact CD2-CB 4.26Å; L242-A329 WeakPolarHBondContact O-CB 3.36Å
243	R	98.8	Very high	97.7	Very high	40 Å²	40	25.7 Å²	25.7	15%	0.151	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-46.2	175.4	-71.1	168.5	65.8	-166.1	4.8	111.5	Y210 D239 T240 V241 A246 E247 T266 V268 L273	Y210-R243 PolarHBondContact OH-NH2 2.9Å; D239-R243 WeakPolarHBondContact O-CB 3.39Å; D239-R243 WeakPolarHBondContact O-CD 3.27Å; D239-R243 WeakPolarHBondContact O-CG 3.5Å; D239-R243 PolarHBondContact O-N 3.06Å; D239-R243 VanDerWaalsContact O-N 3.08Å; T240-R243 PolarHBondContact O-N 3.43Å; V241-R243 PolarHBondContact O-N 2.88Å; R243-A246 PolarHBondContact O-N 3.37Å; R243-E247 VanDerWaalsContact O-CG 3.23Å; R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3Å; R243-T266 PolarHBondContact NE-O 3.46Å; R243-T266 PolarHBondContact NE-OG1 3.07Å; R243-T266 PolarHBondContact NH2-O 2.98Å; R243-T266 PolarHBondContact NH2-OG1 3.48Å; R243-V268 HydrophobicContact CG-CG2 3.89Å; R243-L273 HydrophobicContact CB-CD1 4.48Å; R243-L273 HydrophobicContact CG-CD1 3.66Å
244	C	98.7	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72	-32.6	-177.7	-73.4	0	0	0	0	113.2	L94 V110 T240 V241 L242 R248	L94-C244 HydrophobicContact CD2-CB 3.61Å; L94-C244 WeakPolarHBondContact CD2-SG 3.18Å; V110-C244 HydrophobicContact CG1-CB 4.43Å; T240-C244 VanDerWaalsContact O-CB 3.24Å; T240-C244 WeakPolarHBondContact O-CB 3.44Å; T240-C244 PolarHBondContact O-N 3.24Å; T240-C244 PolarHBondContact O-SG 3.09Å; T240-C244 VanDerWaalsContact O-SG 3.32Å; V241-C244 PolarHBondContact O-N 3.49Å; L242-C244 VanDerWaalsContact C-N 3.34Å; L242-C244 PolarHBondContact O-N 2.93Å; C244-R248 VanDerWaalsContact O-CB 3.26Å; C244-R248 WeakPolarHBondContact O-CB 3.4Å; C244-R248 WeakPolarHBondContact O-CD 3.22Å; C244-R248 WeakPolarHBondContact O-CG 3.49Å; C244-R248 PolarHBondContact O-N 2.68Å
245	I	98.7	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-50.5	170.9	-73.4	172.6	0	0	0	109.8	V241 L242 E247 R248 A249 R313 V314 V316 Q326 A329 E330	V241-I245 HydrophobicContact CG1-CD1 3.69Å; V241-I245 HydrophobicContact CG1-CG1 4.37Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.32Å; L242-I245 PolarHBondContact O-N 3.36Å; I245-E247 PolarHBondContact O-N 3.43Å; I245-R248 PolarHBondContact O-N 2.74Å; I245-A249 VanDerWaalsContact O-CB 3.26Å; I245-A249 WeakPolarHBondContact O-CB 3.21Å; I245-A249 PolarHBondContact O-N 3Å; I245-R313 HydrophobicContact CD1-CB 4.35Å; I245-R313 HydrophobicContact CG2-CB 4.38Å; I245-V314 HydrophobicContact CB-CG2 4.32Å; I245-V314 HydrophobicContact CG1-CG2 4.32Å; I245-V314 HydrophobicContact CG2-CG2 4.15Å; I245-V316 HydrophobicContact CG1-CB 4.41Å; I245-V316 HydrophobicContact CG1-CG2 4.43Å; I245-Q326 HydrophobicContact CD1-CB 3.93Å; I245-Q326 HydrophobicContact CD1-CG 3.93Å; I245-A329 HydrophobicContact CB-CB 4.33Å; I245-A329 HydrophobicContact CG2-CB 4.07Å; I245-E330 HydrophobicContact CG2-CB 3.78Å
246	A	98.8	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-46.3	178.3	0	0	0	0	0	112.4	L242 R243 R248 A249 F250 L273 M275 A329 G333	L242-A246 PolarHBondContact O-N 2.84Å; L242-A246 VanDerWaalsContact O-N 3.12Å; R243-A246 PolarHBondContact O-N 3.37Å; A246-R248 PolarHBondContact O-N 2.99Å; A246-A249 PolarHBondContact O-N 2.95Å; A246-F250 WeakPolarHBondContact O-CB 3.43Å; A246-F250 PolarHBondContact O-N 3.29Å; A246-L273 HydrophobicContact CB-CD2 3.89Å; A246-M275 HydrophobicContact CB-SD 3.85Å; A246-A329 VanDerWaalsContact CA-O 3.25Å; A246-A329 WeakPolarHBondContact CA-O 3.47Å; A246-A329 HydrophobicContact CB-CB 4.25Å; A246-A329 VanDerWaalsContact CB-O 3.23Å; A246-A329 WeakPolarHBondContact CB-O 3.36Å; A246-G333 WeakPolarHBondContact O-CA 3.37Å
247	E	98.7	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-44	178.1	-70.2	173.6	-161.4	0	0	112.9	R113 V212 G213 R243 I245 L251 V264 T266 M275	R113-E247 IonicContact CZ-OE1 3.94Å; R113-E247 IonicContact CZ-OE2 3.76Å; R113-E247 IonicContact NH1-OE1 3.24Å; R113-E247 PolarHBondContact NH1-OE1 3.23Å; R113-E247 IonicContact NH1-OE2 3.43Å; R113-E247 PolarHBondContact NH1-OE2 3.46Å; R113-E247 IonicContact NH2-OE1 3.9Å; R113-E247 PolarHBondContact NH2-OE1 2.86Å; R113-E247 IonicContact NH2-OE2 3.47Å; R113-E247 PolarHBondContact NH2-OE2 3.13Å; V212-E247 HydrophobicContact CB-CB 4.3Å; V212-E247 HydrophobicContact CG1-CB 3.83Å; V212-E247 HydrophobicContact CG2-CB 4.16Å; G213-E247 PolarHBondContact N-OE2 2.98Å; R243-E247 VanDerWaalsContact O-CG 3.23Å; R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3Å; I245-E247 PolarHBondContact O-N 3.43Å; E247-L251 PolarHBondContact O-N 2.96Å; E247-L251 VanDerWaalsContact O-N 3.11Å; E247-V264 HydrophobicContact CB-CG2 4.29Å; E247-V264 HydrophobicContact CG-CB 4.13Å; E247-V264 HydrophobicContact CG-CG1 4.44Å; E247-V264 HydrophobicContact CG-CG2 3.71Å; E247-T266 HydrophobicContact CG-CG2 3.56Å; E247-T266 WeakPolarHBondContact OE1-CB 3.33Å; E247-T266 VanDerWaalsContact OE1-CG2 3.27Å; E247-T266 WeakPolarHBondContact OE1-CG2 3.38Å; E247-T266 PolarHBondContact OE1-OG1 2.95Å; E247-M275 HydrophobicContact CG-CE 4.37Å
248	R	98.1	Very high	92.1	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.011	19%	0.19	C	C	.	.	H	α-helix	trans	-71.5	-37.1	-179.7	-71.5	170.7	65.4	75.3	-0.4	111.8	L97 P98 T99 V212 C244 I245 A246 L251 K252 V314	L97-R248 PolarHBondContact O-NH1 3.39Å; P98-R248 PolarHBondContact O-NH1 3.1Å; P98-R248 PolarHBondContact O-NH2 3.23Å; T99-R248 HydrophobicContact CG2-CB 4.29Å; T99-R248 WeakPolarHBondContact CG2-O 3.41Å; V212-R248 HydrophobicContact CG1-CB 4.5Å; V212-R248 HydrophobicContact CG1-CG 3.83Å; C244-R248 VanDerWaalsContact O-CB 3.26Å; C244-R248 WeakPolarHBondContact O-CB 3.4Å; C244-R248 WeakPolarHBondContact O-CD 3.22Å; C244-R248 WeakPolarHBondContact O-CG 3.49Å; C244-R248 PolarHBondContact O-N 2.68Å; I245-R248 PolarHBondContact O-N 2.74Å; A246-R248 PolarHBondContact O-N 2.99Å; R248-L251 PolarHBondContact O-N 3.01Å; R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.36Å; R248-K252 PolarHBondContact O-N 2.97Å; R248-V314 HydrophobicContact CB-CB 3.96Å; R248-V314 HydrophobicContact CB-CG2 3.71Å; R248-V314 PolarHBondContact NE-O 3.28Å; R248-V314 PolarHBondContact NH2-O 3.23Å
249	A	98.4	Very high	90.9	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-45.6	175.6	0	0	0	0	0	111.7	I245 A246 L251 K252 Q253 V314 E330 I334	I245-A249 VanDerWaalsContact O-CB 3.26Å; I245-A249 WeakPolarHBondContact O-CB 3.21Å; I245-A249 PolarHBondContact O-N 3Å; A246-A249 PolarHBondContact O-N 2.95Å; A249-L251 PolarHBondContact O-N 3.44Å; A249-K252 PolarHBondContact O-N 3Å; A249-Q253 WeakPolarHBondContact O-CB 3.42Å; A249-Q253 PolarHBondContact O-N 3.45Å; A249-V314 HydrophobicContact CB-CG1 3.93Å; A249-E330 HydrophobicContact CB-CB 4.47Å; A249-E330 HydrophobicContact CB-CG 3.87Å; A249-I334 HydrophobicContact CB-CG1 4.31Å
250	F	98.6	Very high	90.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-49.5	172.3	172.1	-107	0	0	0	112.3	A246 K252 Q253 L254 V262 V264 M275 G333 L336 A337 L340	A246-F250 WeakPolarHBondContact O-CB 3.43Å; A246-F250 PolarHBondContact O-N 3.29Å; F250-K252 PolarHBondContact O-N 3.31Å; F250-Q253 PolarHBondContact O-N 2.6Å; F250-L254 HydrophobicContact CD1-CD1 4.22Å; F250-L254 HydrophobicContact CD2-CD1 4.29Å; F250-L254 HydrophobicContact CE1-CD1 3.68Å; F250-L254 HydrophobicContact CE2-CD1 3.73Å; F250-L254 HydrophobicContact CE2-CG 4.34Å; F250-L254 HydrophobicContact CZ-CD1 3.4Å; F250-L254 VanDerWaalsContact CZ-CD1 3.4Å; F250-L254 HydrophobicContact CZ-CG 4.46Å; F250-L254 WeakPolarHBondContact O-CG 3.37Å; F250-L254 PolarHBondContact O-N 3.03Å; F250-V262 HydrophobicContact CD1-CG1 4.25Å; F250-V262 HydrophobicContact CE1-CG1 3.55Å; F250-V262 HydrophobicContact CZ-CG1 4.39Å; F250-V264 HydrophobicContact CD1-CG1 3.6Å; F250-V264 HydrophobicContact CE1-CG1 3.74Å; F250-M275 HydrophobicContact CB-CE 3.34Å; F250-M275 HydrophobicContact CB-SD 4.38Å; F250-M275 HydrophobicContact CD1-CE 3.73Å; F250-M275 HydrophobicContact CD2-CE 4.17Å; F250-M275 HydrophobicContact CG-CE 3.5Å; F250-G333 WeakPolarHBondContact CA-O 3.38Å; F250-L336 HydrophobicContact CD2-CB 4.14Å; F250-L336 HydrophobicContact CD2-CD2 4.19Å; F250-L336 HydrophobicContact CD2-CG 3.99Å; F250-L336 HydrophobicContact CE2-CB 4.46Å; F250-L336 HydrophobicContact CE2-CD2 4.22Å; F250-L336 HydrophobicContact CE2-CG 3.88Å; F250-A337 HydrophobicContact CD2-CB 3.67Å; F250-A337 HydrophobicContact CE2-CB 4.17Å; F250-A337 HydrophobicContact CG-CB 4.49Å; F250-L340 HydrophobicContact CE2-CD2 3.91Å; F250-L340 HydrophobicContact CZ-CD2 3.73Å
251	L	96.4	Very high	89.9	Confident	24 Å²	24	29.8 Å²	29.8	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-41	-179.5	-175.4	63.4	0	0	0	112.4	T99 V212 E247 R248 A249 L254 E255 G256 V262	T99-L251 HydrophobicContact CG2-CB 3.98Å; T99-L251 HydrophobicContact CG2-CD2 3.82Å; T99-L251 HydrophobicContact CG2-CG 4.01Å; V212-L251 HydrophobicContact CB-CD2 4Å; V212-L251 HydrophobicContact CG1-CB 4.37Å; V212-L251 HydrophobicContact CG1-CD2 4.03Å; V212-L251 HydrophobicContact CG2-CB 4Å; V212-L251 HydrophobicContact CG2-CD2 4.11Å; V212-L251 HydrophobicContact CG2-CG 4.49Å; E247-L251 PolarHBondContact O-N 2.96Å; E247-L251 VanDerWaalsContact O-N 3.11Å; R248-L251 PolarHBondContact O-N 3.01Å; A249-L251 PolarHBondContact O-N 3.44Å; L251-L254 PolarHBondContact O-N 3.24Å; L251-E255 PolarHBondContact O-N 2.96Å; L251-G256 WeakPolarHBondContact CG-O 3.48Å; L251-G256 PolarHBondContact O-N 2.74Å; L251-V262 HydrophobicContact CD1-CB 3.99Å; L251-V262 HydrophobicContact CD1-CG1 3.89Å; L251-V262 HydrophobicContact CD1-CG2 4.15Å
252	K	95.1	Very high	89.8	Confident	96 Å²	96	30.1 Å²	30.1	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-60.4	-45.8	176.3	-171.7	177.8	176.3	-178.2	0	111	T99 S100 R248 A249 F250 E255 V314	T99-K252 HydrophobicContact CG2-CB 4.36Å; S100-K252 WeakPolarHBondContact OG-CE 3.33Å; R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.36Å; R248-K252 PolarHBondContact O-N 2.97Å; A249-K252 PolarHBondContact O-N 3Å; F250-K252 PolarHBondContact O-N 3.31Å; K252-E255 WeakPolarHBondContact O-CA 3.33Å; K252-E255 PolarHBondContact O-N 3.19Å; K252-V314 HydrophobicContact CD-CG1 4.11Å
253	Q	96.6	Very high	89.8	Confident	77 Å²	77	29.8 Å²	29.8	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-68.6	-34	-178	-175	64.1	7.3	0	0	112.8	A249 F250 E255 I334 A337 D338	A249-Q253 WeakPolarHBondContact O-CB 3.42Å; A249-Q253 PolarHBondContact O-N 3.45Å; F250-Q253 PolarHBondContact O-N 2.6Å; Q253-E255 PolarHBondContact O-N 3.05Å; Q253-E255 VanDerWaalsContact O-N 3.16Å; Q253-I334 HydrophobicContact CG-CG2 4.24Å; Q253-A337 HydrophobicContact CB-CB 3.58Å; Q253-A337 HydrophobicContact CG-CB 3.56Å; Q253-D338 PolarHBondContact NE2-OD1 3.27Å
254	L	93.4	Very high	89.8	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.026	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.4	170.6	-69.9	179.9	0	0	0	113.7	F250 L251 G256 V262 V279 A337 L340 L341 L349 R353	F250-L254 HydrophobicContact CD1-CD1 4.22Å; F250-L254 HydrophobicContact CD2-CD1 4.29Å; F250-L254 HydrophobicContact CE1-CD1 3.68Å; F250-L254 HydrophobicContact CE2-CD1 3.73Å; F250-L254 HydrophobicContact CE2-CG 4.34Å; F250-L254 HydrophobicContact CZ-CD1 3.4Å; F250-L254 VanDerWaalsContact CZ-CD1 3.4Å; F250-L254 HydrophobicContact CZ-CG 4.46Å; F250-L254 WeakPolarHBondContact O-CG 3.37Å; F250-L254 PolarHBondContact O-N 3.03Å; L251-L254 PolarHBondContact O-N 3.24Å; L254-G256 PolarHBondContact O-N 3.27Å; L254-V262 HydrophobicContact CD1-CG1 4.05Å; L254-V262 HydrophobicContact CD1-CG2 4.42Å; L254-V279 HydrophobicContact CD1-CG1 3.87Å; L254-A337 HydrophobicContact CD2-CB 3.97Å; L254-A337 HydrophobicContact CG-CB 3.86Å; L254-L340 HydrophobicContact CD2-CB 4.43Å; L254-L341 HydrophobicContact CD2-CD1 4.38Å; L254-L341 HydrophobicContact CD2-CD2 3.94Å; L254-L341 HydrophobicContact CD2-CG 3.82Å; L254-L349 HydrophobicContact CB-CD1 4.13Å; L254-L349 HydrophobicContact CD2-CD1 4.39Å; L254-R353 PolarHBondContact O-NH2 2.83Å
255	E	80.9	Confident	89.8	Confident	144 Å²	144	30.1 Å²	30.1	67%	0.673	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	27.3	-166.5	-58.5	177	-174.7	0	0	112	L251 K252 Q253 R353	L251-E255 PolarHBondContact O-N 2.96Å; K252-E255 WeakPolarHBondContact O-CA 3.33Å; K252-E255 PolarHBondContact O-N 3.19Å; Q253-E255 PolarHBondContact O-N 3.05Å; Q253-E255 VanDerWaalsContact O-N 3.16Å; E255-R353 PolarHBondContact O-NH2 3.32Å
256	G	63.5	Low	89.8	Confident	8 Å²	8	30.2 Å²	30.2	8%	0.082	17%	0.172	C	C	.	.			trans	-78.7	142.9	-176.2	0	0	0	0	0	111.3	L251 L254	L251-G256 WeakPolarHBondContact CG-O 3.48Å; L251-G256 PolarHBondContact O-N 2.74Å; L254-G256 PolarHBondContact O-N 3.27Å
257	G	66.6	Low	89.7	Confident	39 Å²	39	35.6 Å²	35.6	40%	0.402	20%	0.195	S	C	.	.			trans	-128.1	-171.3	168.1	0	0	0	0	0	110.7	S259 V260	G257-S259 PolarHBondContact O-N 3.41Å; G257-V260 VanDerWaalsContact O-CG2 3.25Å; G257-V260 WeakPolarHBondContact O-CG2 3.43Å; G257-V260 PolarHBondContact O-N 3.31Å
258	C	63.1	Low	89.6	Confident	118 Å²	118	37.1 Å²	37.1	80%	0.797	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.7	178.8	-65.2	0	0	0	0	114.6
259	S	70.6	Confident	89.5	Confident	50 Å²	50	41.2 Å²	41.2	35%	0.35	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.6	-176.6	-50.7	0	0	0	0	114.5	L145 G257	L145-S259 WeakPolarHBondContact CD1-O 3.47Å; G257-S259 PolarHBondContact O-N 3.41Å
260	V	82.6	Confident	89.2	Confident	9 Å²	9	48 Å²	48	6%	0.055	25%	0.254	C	S	.	.	S	Bend	trans	-126.7	151.4	177.5	-72.3	0	0	0	0	113.3	G257 V262 L349 R353	G257-V260 VanDerWaalsContact O-CG2 3.25Å; G257-V260 WeakPolarHBondContact O-CG2 3.43Å; G257-V260 PolarHBondContact O-N 3.31Å; V260-V262 VanDerWaalsContact C-N 3.25Å; V260-V262 HydrophobicContact CB-CG2 4.3Å; V260-V262 HydrophobicContact CG2-CG2 3.63Å; V260-V262 PolarHBondContact O-N 3Å; V260-L349 HydrophobicContact CB-CD2 3.81Å; V260-L349 HydrophobicContact CG1-CD2 4.18Å; V260-L349 HydrophobicContact CG2-CD2 4.16Å; V260-R353 HydrophobicContact CG1-CG 3.44Å; V260-R353 VanDerWaalsContact CG1-CG 3.44Å
261	P	93	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.			trans	-79.2	68	-178.6	-9.5	29.1	0	0	0	112.1	L145 A149 V279 Y280 L282 A352	L145-P261 HydrophobicContact CB-CG 4.19Å; A149-P261 HydrophobicContact CB-CB 4.03Å; P261-V279 WeakPolarHBondContact O-CA 3.3Å; P261-Y280 WeakPolarHBondContact CB-O 3.32Å; P261-Y280 VanDerWaalsContact CG-O 3.29Å; P261-Y280 WeakPolarHBondContact CG-O 3.17Å; P261-Y280 PolarHBondContact O-N 3.13Å; P261-Y280 VanDerWaalsContact O-N 3.08Å; P261-L282 HydrophobicContact CG-CD2 3.78Å; P261-A352 HydrophobicContact CG-CB 4.32Å
262	V	96.9	Very high	88.9	Confident	9 Å²	9	52 Å²	52	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	176.3	-177.8	0	0	0	0	109.3	R146 F250 L251 L254 V260 A278 V279 L349	R146-V262 WeakPolarHBondContact CD-O 3.43Å; R146-V262 WeakPolarHBondContact CG-O 3.33Å; F250-V262 HydrophobicContact CD1-CG1 4.25Å; F250-V262 HydrophobicContact CE1-CG1 3.55Å; F250-V262 HydrophobicContact CZ-CG1 4.39Å; L251-V262 HydrophobicContact CD1-CB 3.99Å; L251-V262 HydrophobicContact CD1-CG1 3.89Å; L251-V262 HydrophobicContact CD1-CG2 4.15Å; L254-V262 HydrophobicContact CD1-CG1 4.05Å; L254-V262 HydrophobicContact CD1-CG2 4.42Å; V260-V262 VanDerWaalsContact C-N 3.25Å; V260-V262 HydrophobicContact CB-CG2 4.3Å; V260-V262 HydrophobicContact CG2-CG2 3.63Å; V260-V262 PolarHBondContact O-N 3Å; V262-A278 WeakPolarHBondContact CA-O 3.33Å; V262-V279 HydrophobicContact CG2-CG1 4.25Å; V262-L349 HydrophobicContact CG2-CD2 3.83Å
263	A	98	Very high	89.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.1	179.2	0	0	0	0	0	111.7	R146 M209 Y210 A278 Y280	R146-A263 HydrophobicContact CG-CB 3.91Å; M209-A263 HydrophobicContact CB-CB 3.64Å; M209-A263 HydrophobicContact CE-CB 4.49Å; Y210-A263 WeakPolarHBondContact O-CA 3.42Å; A263-A278 PolarHBondContact N-O 3.26Å; A263-A278 PolarHBondContact O-N 2.86Å; A263-Y280 HydrophobicContact CB-CE2 4.34Å
264	V	98.7	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.2	-179.4	-64.7	0	0	0	0	111.4	Y210 V212 E247 F250 M275 T276	Y210-V264 HydrophobicContact CD2-CG2 3.9Å; Y210-V264 VanDerWaalsContact CD2-O 3.26Å; Y210-V264 WeakPolarHBondContact CD2-O 3.49Å; Y210-V264 HydrophobicContact CE2-CG2 3.91Å; Y210-V264 WeakPolarHBondContact CE2-O 3.38Å; Y210-V264 PolarHBondContact N-O 3.05Å; Y210-V264 PolarHBondContact O-N 2.74Å; V212-V264 HydrophobicContact CB-CG2 4.44Å; V212-V264 HydrophobicContact CG2-CB 4.44Å; V212-V264 HydrophobicContact CG2-CG1 3.72Å; V212-V264 HydrophobicContact CG2-CG2 3.8Å; E247-V264 HydrophobicContact CB-CG2 4.29Å; E247-V264 HydrophobicContact CG-CB 4.13Å; E247-V264 HydrophobicContact CG-CG1 4.44Å; E247-V264 HydrophobicContact CG-CG2 3.71Å; F250-V264 HydrophobicContact CD1-CG1 3.6Å; F250-V264 HydrophobicContact CE1-CG1 3.74Å; V264-M275 HydrophobicContact CB-CE 4.35Å; V264-M275 HydrophobicContact CG1-CE 3.68Å; V264-T276 CarbonylContact C-O 3.55Å; V264-T276 VanDerWaalsContact CA-O 3.26Å; V264-T276 WeakPolarHBondContact CA-O 3.3Å
265	H	98.8	Very high	89.5	Confident	48 Å²	48	47 Å²	47	22%	0.222	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	122.9	164.4	171.1	-86.2	0	0	0	109.3	P205 M209 Y210 M275 T276	P205-H265 HydrophobicContact CB-CB 4.45Å; P205-H265 WeakPolarHBondContact CG-CD2 3.47Å; M209-H265 HydrophobicContact CG-CB 4.21Å; M209-H265 HydrophobicContact SD-CB 4.18Å; Y210-H265 HydrophobicContact CE1-CB 4.31Å; Y210-H265 AromaticContact CE1-CD2 3.72Å; H265-M275 WeakPolarHBondContact O-CA 3.35Å; H265-T276 PolarHBondContact N-O 2.86Å; H265-T276 PolarHBondContact O-N 2.89Å
266	T	98.8	Very high	90.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.5	177.4	58.9	0	0	0	0	113.1	Y210 R243 E247 Y274 M275	Y210-T266 PolarHBondContact OH-N 2.8Å; Y210-T266 PolarHBondContact OH-O 3.32Å; Y210-T266 PolarHBondContact OH-OG1 3Å; R243-T266 PolarHBondContact NE-O 3.46Å; R243-T266 PolarHBondContact NE-OG1 3.07Å; R243-T266 PolarHBondContact NH2-O 2.98Å; R243-T266 PolarHBondContact NH2-OG1 3.48Å; E247-T266 HydrophobicContact CG-CG2 3.56Å; E247-T266 WeakPolarHBondContact OE1-CB 3.33Å; E247-T266 VanDerWaalsContact OE1-CG2 3.27Å; E247-T266 WeakPolarHBondContact OE1-CG2 3.38Å; E247-T266 PolarHBondContact OE1-OG1 2.95Å; T266-Y274 WeakPolarHBondContact CA-O 3.25Å; T266-M275 HydrophobicContact CG2-CB 4.08Å; T266-M275 HydrophobicContact CG2-CG 3.84Å; T266-M275 HydrophobicContact CG2-SD 4.46Å
267	K	97.4	Very high	92	Very high	112 Å²	112	40.8 Å²	40.8	49%	0.487	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140.2	174.3	-179.6	176.5	180	176.8	0	109.8	Y274	K267-Y274 PolarHBondContact N-O 3.32Å; K267-Y274 PolarHBondContact O-N 2.82Å
268	V	96.9	Very high	93.5	Very high	33 Å²	33	38.9 Å²	38.9	20%	0.2	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.3	165.5	173.7	0	0	0	0	108.2	D239 R243 Q272 L273 I296	D239-V268 HydrophobicContact CB-CG2 4.49Å; R243-V268 HydrophobicContact CG-CG2 3.89Å; V268-Q272 WeakPolarHBondContact CA-O 3.48Å; V268-L273 HydrophobicContact CG2-CD1 3.8Å; V268-I296 HydrophobicContact CG1-CD1 3.8Å; V268-I296 HydrophobicContact CG2-CD1 4.01Å
269	K	95.1	Very high	95.1	Very high	89 Å²	89	33.3 Å²	33.3	39%	0.387	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	130.1	173.9	-175	179	-177.5	-91.3	0	108.6	S271 Q272 Y274	K269-S271 VanDerWaalsContact C-N 3.31Å; K269-S271 PolarHBondContact O-N 3.23Å; K269-Q272 PolarHBondContact N-O 3.41Å; K269-Q272 WeakPolarHBondContact O-CB 3.48Å; K269-Q272 PolarHBondContact O-N 3.09Å; K269-Y274 HydrophobicContact CB-CE2 4.14Å
270	E	91.3	Very high	96.4	Very high	145 Å²	145	31.8 Å²	31.8	68%	0.678	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	48	173.4	-66.7	154.4	-172.6	0	0	112.8	Q272	E270-Q272 PolarHBondContact O-N 2.9Å; E270-Q272 VanDerWaalsContact O-N 3.09Å
271	S	92.8	Very high	97.1	Very high	63 Å²	63	31.9 Å²	31.9	44%	0.441	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	20.9	-177.7	-53.6	0	0	0	0	115.1	K269 I296	K269-S271 VanDerWaalsContact C-N 3.31Å; K269-S271 PolarHBondContact O-N 3.23Å; S271-I296 VanDerWaalsContact O-CG1 3.25Å; S271-I296 WeakPolarHBondContact O-CG1 3.33Å; S271-I296 PolarHBondContact O-N 3.43Å
272	Q	97.4	Very high	97	Very high	45 Å²	45	33 Å²	33	21%	0.21	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.9	169.4	-64	-66.2	-56.1	0	0	109.8	V268 K269 E270 Y274 T294 S295	V268-Q272 WeakPolarHBondContact CA-O 3.48Å; K269-Q272 PolarHBondContact N-O 3.41Å; K269-Q272 WeakPolarHBondContact O-CB 3.48Å; K269-Q272 PolarHBondContact O-N 3.09Å; E270-Q272 PolarHBondContact O-N 2.9Å; E270-Q272 VanDerWaalsContact O-N 3.09Å; Q272-Y274 HydrophobicContact CB-CD2 4.2Å; Q272-Y274 HydrophobicContact CB-CE2 3.49Å; Q272-Y274 VanDerWaalsContact CB-CE2 3.49Å; Q272-T294 WeakPolarHBondContact CA-O 3.37Å; Q272-T294 PolarHBondContact OE1-O 2.97Å; Q272-S295 VanDerWaalsContact NE2-CA 3.35Å
273	L	98.5	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.7	168.1	175	60.6	0	0	0	108.7	R243 A246 V268 Q293 T294 I296 A329 L332	R243-L273 HydrophobicContact CB-CD1 4.48Å; R243-L273 HydrophobicContact CG-CD1 3.66Å; A246-L273 HydrophobicContact CB-CD2 3.89Å; V268-L273 HydrophobicContact CG2-CD1 3.8Å; L273-Q293 CarbonylContact O-C 3.57Å; L273-Q293 WeakPolarHBondContact O-CA 3.44Å; L273-T294 HydrophobicContact CB-CG2 4.26Å; L273-T294 PolarHBondContact N-O 3Å; L273-T294 PolarHBondContact O-N 3.45Å; L273-I296 HydrophobicContact CB-CD1 4.28Å; L273-I296 HydrophobicContact CB-CG1 4.46Å; L273-I296 HydrophobicContact CB-CG2 3.79Å; L273-I296 HydrophobicContact CD2-CG2 4.45Å; L273-A329 HydrophobicContact CD2-CB 3.74Å; L273-L332 HydrophobicContact CB-CD2 4.36Å; L273-L332 HydrophobicContact CD2-CD2 3.94Å; L273-L332 HydrophobicContact CG-CD2 3.78Å; L273-L332 WeakPolarHBondContact O-CD2 3.36Å
274	Y	98.8	Very high	96.7	Very high	73 Å²	73	36.7 Å²	36.7	29%	0.286	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.8	173.8	-60.8	-98.2	0	0	0	109.3	T266 K267 K269 Q272 Q293	T266-Y274 WeakPolarHBondContact CA-O 3.25Å; K267-Y274 PolarHBondContact N-O 3.32Å; K267-Y274 PolarHBondContact O-N 2.82Å; K269-Y274 HydrophobicContact CB-CE2 4.14Å; Q272-Y274 HydrophobicContact CB-CD2 4.2Å; Q272-Y274 HydrophobicContact CB-CE2 3.49Å; Q272-Y274 VanDerWaalsContact CB-CE2 3.49Å; Y274-Q293 HydrophobicContact CD1-CB 3.89Å; Y274-Q293 HydrophobicContact CE1-CB 4.18Å; Y274-Q293 HydrophobicContact CG-CB 4.36Å
275	M	98.7	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	123.6	175.6	-176.6	174.6	179.9	0	0	110.7	A246 E247 F250 V264 H265 T266 T291 M292 L332 L336	A246-M275 HydrophobicContact CB-SD 3.85Å; E247-M275 HydrophobicContact CG-CE 4.37Å; F250-M275 HydrophobicContact CB-CE 3.34Å; F250-M275 HydrophobicContact CB-SD 4.38Å; F250-M275 HydrophobicContact CD1-CE 3.73Å; F250-M275 HydrophobicContact CD2-CE 4.17Å; F250-M275 HydrophobicContact CG-CE 3.5Å; V264-M275 HydrophobicContact CB-CE 4.35Å; V264-M275 HydrophobicContact CG1-CE 3.68Å; H265-M275 WeakPolarHBondContact O-CA 3.35Å; T266-M275 HydrophobicContact CG2-CB 4.08Å; T266-M275 HydrophobicContact CG2-CG 3.84Å; T266-M275 HydrophobicContact CG2-SD 4.46Å; M275-T291 CarbonylContact O-C 3.53Å; M275-T291 WeakPolarHBondContact O-CA 3.38Å; M275-M292 PolarHBondContact N-O 3.26Å; M275-M292 PolarHBondContact O-N 3.31Å; M275-L332 HydrophobicContact CB-CD2 3.8Å; M275-L332 HydrophobicContact CB-CG 4.22Å; M275-L336 HydrophobicContact CB-CD2 4.23Å; M275-L336 HydrophobicContact CE-CD2 4.08Å; M275-L336 HydrophobicContact CG-CD2 3.62Å; M275-L336 HydrophobicContact SD-CD2 3.94Å
276	T	98.9	Very high	96.4	Very high	21 Å²	21	43.7 Å²	43.7	13%	0.129	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.9	165.1	-55.9	0	0	0	0	108.3	M209 V264 H265 K289 E290 T291	M209-T276 HydrophobicContact CE-CG2 4.49Å; M209-T276 HydrophobicContact SD-CG2 3.66Å; V264-T276 CarbonylContact C-O 3.55Å; V264-T276 VanDerWaalsContact CA-O 3.26Å; V264-T276 WeakPolarHBondContact CA-O 3.3Å; H265-T276 PolarHBondContact N-O 2.86Å; H265-T276 PolarHBondContact O-N 2.89Å; T276-K289 HydrophobicContact CG2-CD 4Å; T276-K289 HydrophobicContact CG2-CG 3.76Å; T276-E290 VanDerWaalsContact CA-O 3.3Å; T276-E290 WeakPolarHBondContact CA-O 3.46Å; T276-E290 WeakPolarHBondContact CG2-O 3.43Å; T276-T291 WeakPolarHBondContact CG2-OG1 3.43Å; T276-T291 PolarHBondContact OG1-OG1 3.16Å
277	G	98.6	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.6	179.1	0	0	0	0	0	110.1	K289 E290	G277-K289 WeakPolarHBondContact O-CA 3.38Å; G277-E290 PolarHBondContact N-O 3.48Å; G277-E290 PolarHBondContact O-N 3.2Å
278	A	98.4	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.5	177.6	0	0	0	0	0	114.1	M209 V262 A263 Y280 I288 K289	M209-A278 HydrophobicContact CE-CB 3.39Å; V262-A278 WeakPolarHBondContact CA-O 3.33Å; A263-A278 PolarHBondContact N-O 3.26Å; A263-A278 PolarHBondContact O-N 2.86Å; A278-Y280 HydrophobicContact CB-CD2 4.41Å; A278-Y280 HydrophobicContact CB-CE2 3.51Å; A278-I288 CarbonylContact C-O 3.48Å; A278-I288 WeakPolarHBondContact CA-O 3.4Å; A278-I288 VanDerWaalsContact CB-O 3.3Å; A278-I288 WeakPolarHBondContact CB-O 3.12Å; A278-K289 HydrophobicContact CB-CB 3.89Å; A278-K289 HydrophobicContact CB-CG 4.06Å
279	V	97.8	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.6	169.5	-61.6	0	0	0	0	109.8	L254 P261 V262 S287 I288 L340 A345 I348 L349	L254-V279 HydrophobicContact CD1-CG1 3.87Å; P261-V279 WeakPolarHBondContact O-CA 3.3Å; V262-V279 HydrophobicContact CG2-CG1 4.25Å; V279-S287 WeakPolarHBondContact O-CA 3.28Å; V279-I288 HydrophobicContact CG2-CB 3.96Å; V279-I288 HydrophobicContact CG2-CD1 4.27Å; V279-I288 HydrophobicContact CG2-CG1 4.38Å; V279-I288 PolarHBondContact N-O 2.94Å; V279-I288 PolarHBondContact O-N 3.36Å; V279-L340 HydrophobicContact CG1-CD2 4.04Å; V279-L340 HydrophobicContact CG2-CD2 4.36Å; V279-A345 HydrophobicContact CG1-CB 4.24Å; V279-A345 HydrophobicContact CG2-CB 3.62Å; V279-I348 HydrophobicContact CG2-CD1 4.27Å; V279-L349 HydrophobicContact CB-CD2 4.22Å; V279-L349 HydrophobicContact CB-CG 4.45Å; V279-L349 HydrophobicContact CG1-CD1 4.08Å; V279-L349 HydrophobicContact CG1-CD2 3.98Å; V279-L349 HydrophobicContact CG1-CG 4.14Å
280	Y	97.2	Very high	96.6	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151	179.4	-56.6	-101.9	0	0	0	111.3	A149 Q150 M209 P261 A263 A278 Q286 S287 I348	A149-Y280 HydrophobicContact CB-CG 4.42Å; Q150-Y280 HydrophobicContact CG-CD1 4.23Å; Q150-Y280 HydrophobicContact CG-CD2 3.98Å; Q150-Y280 HydrophobicContact CG-CE1 3.85Å; Q150-Y280 HydrophobicContact CG-CE2 3.59Å; Q150-Y280 HydrophobicContact CG-CG 4.31Å; Q150-Y280 PolarHBondContact OE1-OH 3.31Å; M209-Y280 WeakPolarHBondContact CE-OH 3.38Å; P261-Y280 WeakPolarHBondContact CB-O 3.32Å; P261-Y280 VanDerWaalsContact CG-O 3.29Å; P261-Y280 WeakPolarHBondContact CG-O 3.17Å; P261-Y280 PolarHBondContact O-N 3.13Å; P261-Y280 VanDerWaalsContact O-N 3.08Å; A263-Y280 HydrophobicContact CB-CE2 4.34Å; A278-Y280 HydrophobicContact CB-CD2 4.41Å; A278-Y280 HydrophobicContact CB-CE2 3.51Å; Y280-Q286 WeakPolarHBondContact CA-O 3.18Å; Y280-S287 VanDerWaalsContact CD1-CB 3.4Å; Y280-I348 WeakPolarHBondContact O-CG2 3.31Å
281	S	96.2	Very high	97	Very high	12 Å²	12	40.3 Å²	40.3	8%	0.084	22%	0.217	C	C	.	.			trans	-68.3	161.3	161.5	57.1	0	0	0	0	110.3	A149 D283 G284 S285 Q286	A149-S281 WeakPolarHBondContact CB-O 3.21Å; S281-D283 VanDerWaalsContact CB-OD1 3.31Å; S281-D283 WeakPolarHBondContact CB-OD1 3.47Å; S281-D283 PolarHBondContact O-N 3.15Å; S281-D283 PolarHBondContact OG-OD1 3.16Å; S281-G284 PolarHBondContact O-N 3.49Å; S281-G284 PolarHBondContact OG-N 2.79Å; S281-S285 PolarHBondContact OG-N 2.88Å; S281-S285 PolarHBondContact OG-OG 3.49Å; S281-Q286 PolarHBondContact N-O 2.82Å; S281-Q286 PolarHBondContact OG-N 3.42Å; S281-Q286 PolarHBondContact OG-O 3.24Å
282	L	92.8	Very high	97.3	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.6	-176.4	-65.8	-171.9	0	0	0	114.4	L145 P261 A352 L355 N356	L145-L282 HydrophobicContact CB-CD2 4.27Å; L145-L282 HydrophobicContact CD1-CD2 3.93Å; L145-L282 HydrophobicContact CD2-CD2 4.21Å; L145-L282 HydrophobicContact CG-CD2 4.36Å; P261-L282 HydrophobicContact CG-CD2 3.78Å; L282-A352 HydrophobicContact CD2-CB 3.88Å; L282-A352 HydrophobicContact CG-CB 4.04Å; L282-L355 HydrophobicContact CD1-CB 3.42Å; L282-L355 VanDerWaalsContact CD1-CB 3.42Å; L282-L355 HydrophobicContact CD1-CD1 4.31Å; L282-L355 HydrophobicContact CG-CB 4.45Å; L282-N356 HydrophobicContact CD1-CB 4.3Å
283	D	92.9	Very high	97.3	Very high	85 Å²	85	43.1 Å²	43.1	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.8	176	65.6	-12.1	0	0	0	112.8	K152 S281 S285	K152-D283 WeakPolarHBondContact CB-O 3.47Å; S281-D283 VanDerWaalsContact CB-OD1 3.31Å; S281-D283 WeakPolarHBondContact CB-OD1 3.47Å; S281-D283 PolarHBondContact O-N 3.15Å; S281-D283 PolarHBondContact OG-OD1 3.16Å; D283-S285 VanDerWaalsContact C-N 3.32Å; D283-S285 PolarHBondContact OD1-N 2.84Å; D283-S285 PolarHBondContact OD1-OG 3.04Å; D283-S285 WeakPolarHBondContact OD2-CB 3.04Å; D283-S285 PolarHBondContact OD2-OG 3.25Å
284	G	95.1	Very high	97.3	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	80.6	1.3	-176.8	0	0	0	0	0	115.4	A149 K153 S281 Q286	A149-G284 WeakPolarHBondContact O-CA 3.41Å; K153-G284 WeakPolarHBondContact CD-O 3.23Å; S281-G284 PolarHBondContact O-N 3.49Å; S281-G284 PolarHBondContact OG-N 2.79Å; G284-Q286 VanDerWaalsContact C-N 3.34Å; G284-Q286 PolarHBondContact O-N 3.49Å
285	S	94.8	Very high	97.2	Very high	85 Å²	85	44.3 Å²	44.3	59%	0.594	24%	0.241	S	C	*	.	S	Bend	trans	-67.1	-34	-177.4	62.3	0	0	0	0	112.8	S281 D283	S281-S285 PolarHBondContact OG-N 2.88Å; S281-S285 PolarHBondContact OG-OG 3.49Å; D283-S285 VanDerWaalsContact C-N 3.32Å; D283-S285 PolarHBondContact OD1-N 2.84Å; D283-S285 PolarHBondContact OD1-OG 3.04Å; D283-S285 WeakPolarHBondContact OD2-CB 3.04Å; D283-S285 PolarHBondContact OD2-OG 3.25Å
286	Q	96.7	Very high	97	Very high	110 Å²	110	45.1 Å²	45.1	51%	0.514	25%	0.245	S	C	.	.	S	Bend	trans	-106.9	139.3	172.8	-61.8	-176.5	-34.9	0	0	110.4	Y280 S281 G284 I348	Y280-Q286 WeakPolarHBondContact CA-O 3.18Å; S281-Q286 PolarHBondContact N-O 2.82Å; S281-Q286 PolarHBondContact OG-N 3.42Å; S281-Q286 PolarHBondContact OG-O 3.24Å; G284-Q286 VanDerWaalsContact C-N 3.34Å; G284-Q286 PolarHBondContact O-N 3.49Å; Q286-I348 HydrophobicContact CB-CD1 4.12Å; Q286-I348 HydrophobicContact CB-CG1 4.42Å
287	S	97.1	Very high	96.4	Very high	40 Å²	40	46.1 Å²	46.1	28%	0.28	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.2	174.1	66.4	0	0	0	0	111.8	K153 V279 Y280	K153-S287 PolarHBondContact NZ-OG 3.15Å; V279-S287 WeakPolarHBondContact O-CA 3.28Å; Y280-S287 VanDerWaalsContact CD1-CB 3.4Å
288	I	98.1	Very high	94.9	Very high	22 Å²	22	50.7 Å²	50.7	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	168.1	-56.2	164.1	0	0	0	106.7	A278 V279 E290 L340 K343 A345 I348	A278-I288 CarbonylContact C-O 3.48Å; A278-I288 WeakPolarHBondContact CA-O 3.4Å; A278-I288 VanDerWaalsContact CB-O 3.3Å; A278-I288 WeakPolarHBondContact CB-O 3.12Å; V279-I288 HydrophobicContact CG2-CB 3.96Å; V279-I288 HydrophobicContact CG2-CD1 4.27Å; V279-I288 HydrophobicContact CG2-CG1 4.38Å; V279-I288 PolarHBondContact N-O 2.94Å; V279-I288 PolarHBondContact O-N 3.36Å; I288-E290 HydrophobicContact CG2-CG 4.46Å; I288-L340 HydrophobicContact CB-CG 4.49Å; I288-L340 HydrophobicContact CG2-CG 3.88Å; I288-K343 HydrophobicContact CD1-CB 4.14Å; I288-K343 WeakPolarHBondContact CD1-O 3.35Å; I288-K343 HydrophobicContact CG2-CB 3.96Å; I288-K343 HydrophobicContact CG2-CD 4.18Å; I288-A345 HydrophobicContact CD1-CB 4.06Å; I288-A345 VanDerWaalsContact CD1-N 3.31Å; I288-I348 HydrophobicContact CD1-CD1 3.77Å; I288-I348 HydrophobicContact CG1-CD1 3.9Å
289	K	98.4	Very high	93.2	Very high	111 Å²	111	52.8 Å²	52.8	48%	0.483	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.9	-179.6	179.9	178.2	83.2	171.5	0	109.2	M209 T276 G277 A278	M209-K289 HydrophobicContact CE-CD 3.66Å; M209-K289 HydrophobicContact CE-CG 4.07Å; M209-K289 HydrophobicContact SD-CD 4.32Å; T276-K289 HydrophobicContact CG2-CD 4Å; T276-K289 HydrophobicContact CG2-CG 3.76Å; G277-K289 WeakPolarHBondContact O-CA 3.38Å; A278-K289 HydrophobicContact CB-CB 3.89Å; A278-K289 HydrophobicContact CB-CG 4.06Å
290	E	98.8	Very high	90.9	Very high	54 Å²	54	60.7 Å²	60.7	25%	0.252	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.5	178.4	-58	-66	147.4	0	0	110.6	T276 G277 I288 L336 L339 L340 K343	T276-E290 VanDerWaalsContact CA-O 3.3Å; T276-E290 WeakPolarHBondContact CA-O 3.46Å; T276-E290 WeakPolarHBondContact CG2-O 3.43Å; G277-E290 PolarHBondContact N-O 3.48Å; G277-E290 PolarHBondContact O-N 3.2Å; I288-E290 HydrophobicContact CG2-CG 4.46Å; E290-L336 HydrophobicContact CB-CD1 3.72Å; E290-L339 HydrophobicContact CB-CD2 3.88Å; E290-L339 HydrophobicContact CG-CD2 3.89Å; E290-L339 HydrophobicContact CG-CG 4.22Å; E290-L340 HydrophobicContact CB-CD1 3.65Å; E290-L340 HydrophobicContact CG-CD1 3.62Å; E290-K343 HydrophobicContact CG-CD 4.18Å; E290-K343 WeakPolarHBondContact OE1-CD 3.4Å; E290-K343 IonicContact OE1-NZ 2.61Å; E290-K343 PolarHBondContact OE1-NZ 3.49Å; E290-K343 IonicContact OE2-NZ 2.86Å; E290-K343 PolarHBondContact OE2-NZ 2.82Å
291	T	98.8	Very high	88.6	Confident	82 Å²	82	68.3 Å²	68.3	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.8	178.2	-58	0	0	0	0	109.7	M275 T276	M275-T291 CarbonylContact O-C 3.53Å; M275-T291 WeakPolarHBondContact O-CA 3.38Å; T276-T291 WeakPolarHBondContact CG2-OG1 3.43Å; T276-T291 PolarHBondContact OG1-OG1 3.16Å
292	M	98.7	Very high	86	Confident	60 Å²	60	76.8 Å²	76.8	30%	0.296	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.2	171.5	-69	-176.5	87.7	0	0	109.8	M275 L332 K335 L336 L339	M275-M292 PolarHBondContact N-O 3.26Å; M275-M292 PolarHBondContact O-N 3.31Å; M292-L332 HydrophobicContact CB-CD1 3.45Å; M292-L332 VanDerWaalsContact CB-CD1 3.45Å; M292-K335 HydrophobicContact CE-CB 4.08Å; M292-K335 HydrophobicContact SD-CB 4.13Å; M292-L336 HydrophobicContact CB-CD1 4.46Å; M292-L336 HydrophobicContact CG-CD1 3.96Å; M292-L336 HydrophobicContact SD-CB 4.02Å; M292-L336 HydrophobicContact SD-CD1 4.2Å; M292-L339 HydrophobicContact SD-CD2 4.39Å
293	Q	98.4	Very high	83.4	Confident	108 Å²	108	79.5 Å²	79.5	51%	0.505	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160	174.4	68.4	-176	54.5	0	0	111.2	L273 Y274	L273-Q293 CarbonylContact O-C 3.57Å; L273-Q293 WeakPolarHBondContact O-CA 3.44Å; Y274-Q293 HydrophobicContact CD1-CB 3.89Å; Y274-Q293 HydrophobicContact CE1-CB 4.18Å; Y274-Q293 HydrophobicContact CG-CB 4.36Å
294	T	98.1	Very high	80.9	Confident	39 Å²	39	83.3 Å²	83.3	24%	0.239	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.1	170	-168.7	0	0	0	0	110.7	Q272 L273 I296 A328 L332	Q272-T294 WeakPolarHBondContact CA-O 3.37Å; Q272-T294 PolarHBondContact OE1-O 2.97Å; L273-T294 HydrophobicContact CB-CG2 4.26Å; L273-T294 PolarHBondContact N-O 3Å; L273-T294 PolarHBondContact O-N 3.45Å; T294-I296 HydrophobicContact CG2-CG2 4.09Å; T294-A328 HydrophobicContact CG2-CB 4.14Å; T294-L332 HydrophobicContact CG2-CB 3.99Å; T294-L332 HydrophobicContact CG2-CD2 3.97Å; T294-L332 HydrophobicContact CG2-CG 4.46Å
295	S	96.8	Very high	78.1	Confident	59 Å²	59	91 Å²	91	41%	0.413	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137.9	163.7	-169.7	0	0	0	0	109.7	Q272 A297	Q272-S295 VanDerWaalsContact NE2-CA 3.35Å; S295-A297 PolarHBondContact OG-N 3.33Å
296	I	93.9	Very high	75.5	Confident	16 Å²	16	98.7 Å²	98.7	8%	0.082	52%	0.516	C	S	.	.			trans	-124.5	15.5	170.7	56.4	163.1	0	0	0	110.9	L242 V268 S271 L273 T294 A325	L242-I296 HydrophobicContact CD1-CB 4.14Å; L242-I296 HydrophobicContact CD1-CD1 3.62Å; L242-I296 HydrophobicContact CD1-CG1 4.47Å; L242-I296 HydrophobicContact CD1-CG2 4.34Å; V268-I296 HydrophobicContact CG1-CD1 3.8Å; V268-I296 HydrophobicContact CG2-CD1 4.01Å; S271-I296 VanDerWaalsContact O-CG1 3.25Å; S271-I296 WeakPolarHBondContact O-CG1 3.33Å; S271-I296 PolarHBondContact O-N 3.43Å; L273-I296 HydrophobicContact CB-CD1 4.28Å; L273-I296 HydrophobicContact CB-CG1 4.46Å; L273-I296 HydrophobicContact CB-CG2 3.79Å; L273-I296 HydrophobicContact CD2-CG2 4.45Å; T294-I296 HydrophobicContact CG2-CG2 4.09Å; I296-A325 HydrophobicContact CB-CB 4.31Å
297	A	87.2	Confident	73	Confident	43 Å²	43	97.2 Å²	97.2	36%	0.355	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-60.7	140.1	171.9	0	0	0	0	0	109.5	S295 G299	S295-A297 PolarHBondContact OG-N 3.33Å; A297-G299 PolarHBondContact O-N 2.89Å
298	P	67.8	Low	70.4	Confident	95 Å²	95	100.3 Å²	100.3	62%	0.617	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.9	130.6	168.4	24.9	-30.2	0	0	0	108.3
299	G	62.6	Low	68.1	Low	45 Å²	45	106.2 Å²	106.2	46%	0.464	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-59.7	138.8	173.8	0	0	0	0	0	110.7	A297 E301 E324	A297-G299 PolarHBondContact O-N 2.89Å; G299-E301 PolarHBondContact O-N 3.36Å; G299-E324 PolarHBondContact N-OE2 2.7Å
300	D	49.6	Very low	66.3	Low	166 Å²	166	106 Å²	106	89%	0.888	56%	0.556	S	S	*	*	S	Bend	trans	-73.9	79.7	164.1	-75.2	-34.4	0	0	0	107.6
301	E	47.4	Very low	65.5	Low	178 Å²	178	106.4 Å²	106.4	83%	0.832	56%	0.562	S	S	*	*	S	Bend	trans	-178.4	147.5	149.4	-105.6	168.9	-164.8	0	0	114.5	G299 S303	G299-E301 PolarHBondContact O-N 3.36Å; E301-S303 VanDerWaalsContact C-N 3.29Å; E301-S303 PolarHBondContact O-N 3.37Å
302	Q	42.1	Very low	65.1	Low	190 Å²	190	106.4 Å²	106.4	89%	0.888	56%	0.556	S	S	*	*			trans	-65.2	74.2	171.2	-65.1	166.7	-22.4	0	0	111.4	L304	Q302-L304 PolarHBondContact O-N 3.22Å
303	S	39.1	Very low	64.9	Low	80 Å²	80	104.2 Å²	104.2	56%	0.559	54%	0.544	S	S	*	.			trans	-90.6	84.7	162.2	61	0	0	0	0	109.5	E301 E305	E301-S303 VanDerWaalsContact C-N 3.29Å; E301-S303 PolarHBondContact O-N 3.37Å; S303-E305 PolarHBondContact O-N 2.83Å
304	L	39	Very low	64.7	Low	166 Å²	166	99.3 Å²	99.3	87%	0.869	52%	0.522	S	S	*	.			trans	-70.1	48.3	165.7	-78.7	161.2	0	0	0	111.3	Q302	Q302-L304 PolarHBondContact O-N 3.22Å
305	E	36.6	Very low	64.5	Low	163 Å²	163	97.9 Å²	97.9	76%	0.762	52%	0.515	S	S	*	.			trans	-85.8	115.7	153.1	-74.1	-168.9	169.5	0	0	105.5	S303 V307	S303-E305 PolarHBondContact O-N 2.83Å; E305-V307 PolarHBondContact O-N 2.65Å
306	R	40.6	Very low	64.6	Low	246 Å²	246	95.1 Å²	95.1	93%	0.928	50%	0.495	S	S	*	.			trans	-62.8	82.4	171.8	-73.5	179.8	177.6	172.8	-1.6	107.9	D308	R306-D308 PolarHBondContact O-N 2.74Å
307	V	43.6	Very low	64.7	Low	78 Å²	78	94.6 Å²	94.6	47%	0.473	49%	0.493	S	S	.	.			trans	-57.2	121.9	161.4	-176.4	0	0	0	0	104.3	E305 E309 A323	E305-V307 PolarHBondContact O-N 2.65Å; V307-E309 PolarHBondContact O-N 3.36Å; V307-A323 HydrophobicContact CG1-CB 4.36Å
308	D	43.8	Very low	65.1	Low	106 Å²	106	92.6 Å²	92.6	57%	0.567	48%	0.477	S	S	*	.			trans	-50.6	107.5	-179.8	-177.3	-0.2	0	0	0	108.9	R306 Q310 V311	R306-D308 PolarHBondContact O-N 2.74Å; D308-Q310 PolarHBondContact O-N 2.98Å; D308-Q310 PolarHBondContact OD1-N 3.46Å; D308-V311 HydrophobicContact CB-CG2 3.88Å; D308-V311 VanDerWaalsContact O-CG2 3.28Å; D308-V311 WeakPolarHBondContact O-CG2 3.36Å; D308-V311 PolarHBondContact O-N 3.48Å
309	E	49.6	Very low	66	Low	146 Å²	146	90.4 Å²	90.4	68%	0.682	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.9	-172	-67.6	177.8	173.6	0	0	111.1	V307 M319	V307-E309 PolarHBondContact O-N 3.36Å; E309-M319 WeakPolarHBondContact O-CG 3.46Å
310	Q	59.9	Low	67.2	Low	106 Å²	106	93.3 Å²	93.3	50%	0.495	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.9	177.1	-65.8	-174.2	-6	0	0	114.5	D308 Q312	D308-Q310 PolarHBondContact O-N 2.98Å; D308-Q310 PolarHBondContact OD1-N 3.46Å; Q310-Q312 PolarHBondContact O-N 2.89Å
311	V	81.6	Confident	69.2	Low	62 Å²	62	85.7 Å²	85.7	38%	0.376	42%	0.418	S	S	.	.			trans	-69.4	118.9	174.8	175.9	0	0	0	0	110.8	D308	D308-V311 HydrophobicContact CB-CG2 3.88Å; D308-V311 VanDerWaalsContact O-CG2 3.28Å; D308-V311 WeakPolarHBondContact O-CG2 3.36Å; D308-V311 PolarHBondContact O-N 3.48Å
312	Q	90.1	Very high	71.3	Confident	83 Å²	83	80.6 Å²	80.6	39%	0.388	40%	0.4	S	S	.	.			trans	-76.8	131.6	173.3	-55.7	-179.5	-5.1	0	0	110.5	F105 T106 Q310 V316 T317	F105-Q312 PolarHBondContact O-NE2 3.28Å; T106-Q312 VanDerWaalsContact CB-NE2 3.32Å; T106-Q312 PolarHBondContact OG1-NE2 2.9Å; Q310-Q312 PolarHBondContact O-N 2.89Å; Q312-V316 WeakPolarHBondContact CA-O 3.28Å; Q312-T317 WeakPolarHBondContact CG-OG1 2.94Å
313	R	94.6	Very high	73.7	Confident	13 Å²	13	73 Å²	73	5%	0.049	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-110.5	118.4	169.3	-69.5	165.5	-176	83.9	6.5	108.8	I245 G315 V316 D327	I245-R313 HydrophobicContact CD1-CB 4.35Å; I245-R313 HydrophobicContact CG2-CB 4.38Å; R313-G315 PolarHBondContact O-N 2.93Å; R313-V316 PolarHBondContact N-O 3Å; R313-V316 WeakPolarHBondContact O-CB 2.92Å; R313-V316 PolarHBondContact O-N 3.09Å; R313-D327 IonicContact CZ-OD1 3.73Å; R313-D327 IonicContact NE-OD1 2.68Å; R313-D327 PolarHBondContact NE-OD1 3.24Å; R313-D327 IonicContact NH2-OD1 3.24Å; R313-D327 PolarHBondContact NH2-OD1 2.81Å; R313-D327 IonicContact NH2-OD2 3.69Å
314	V	94.9	Very high	76.2	Confident	6 Å²	6	73.8 Å²	73.8	4%	0.036	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	40.3	-174.9	-68.2	0	0	0	0	113.8	I245 R248 A249 K252	I245-V314 HydrophobicContact CB-CG2 4.32Å; I245-V314 HydrophobicContact CG1-CG2 4.32Å; I245-V314 HydrophobicContact CG2-CG2 4.15Å; R248-V314 HydrophobicContact CB-CB 3.96Å; R248-V314 HydrophobicContact CB-CG2 3.71Å; R248-V314 PolarHBondContact NE-O 3.28Å; R248-V314 PolarHBondContact NH2-O 3.23Å; A249-V314 HydrophobicContact CB-CG1 3.93Å; K252-V314 HydrophobicContact CD-CG1 4.11Å
315	G	94.9	Very high	78.9	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	9.8	179.8	0	0	0	0	0	115.8	T106 I107 R313	T106-G315 PolarHBondContact OG1-O 3.45Å; I107-G315 VanDerWaalsContact CB-O 3.31Å; I107-G315 WeakPolarHBondContact CB-O 3.4Å; I107-G315 WeakPolarHBondContact CG1-O 3.24Å; I107-G315 PolarHBondContact N-O 2.94Å; R313-G315 PolarHBondContact O-N 2.93Å
316	V	97.6	Very high	81.8	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-104.4	127	177.3	-176.5	0	0	0	0	110.2	I107 V110 I245 Q312 R313 A318	I107-V316 HydrophobicContact CB-CG2 4.24Å; I107-V316 HydrophobicContact CD1-CG2 4.01Å; I107-V316 HydrophobicContact CG2-CG2 4.48Å; V110-V316 HydrophobicContact CG2-CG1 4.07Å; V110-V316 HydrophobicContact CG2-CG2 4.35Å; I245-V316 HydrophobicContact CG1-CB 4.41Å; I245-V316 HydrophobicContact CG1-CG2 4.43Å; Q312-V316 WeakPolarHBondContact CA-O 3.28Å; R313-V316 PolarHBondContact N-O 3Å; R313-V316 WeakPolarHBondContact O-CB 2.92Å; R313-V316 PolarHBondContact O-N 3.09Å; V316-A318 HydrophobicContact CG1-CB 4.17Å
317	T	96.6	Very high	84.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	26%	0.258	C	S	.	.			trans	-104	106.4	168.1	-60.7	0	0	0	0	108.6	T106 I107 L229 H236 Q312 M319	T106-T317 PolarHBondContact OG1-OG1 3.45Å; I107-T317 PolarHBondContact O-N 3.38Å; L229-T317 HydrophobicContact CD2-CG2 4.08Å; H236-T317 PolarHBondContact NE2-O 2.89Å; Q312-T317 WeakPolarHBondContact CG-OG1 2.94Å; T317-M319 HydrophobicContact CG2-CG 4.02Å
318	A	94.6	Very high	86.9	Confident	2 Å²	2	45.8 Å²	45.8	2%	0.017	24%	0.239	C	C	.	.			trans	-125.5	74.7	-178.3	0	0	0	0	0	111.2	V241 V316 K320 V321 Q326	V241-A318 HydrophobicContact CG1-CB 3.83Å; V316-A318 HydrophobicContact CG1-CB 4.17Å; A318-K320 PolarHBondContact O-N 3.28Å; A318-V321 HydrophobicContact CB-CB 4.16Å; A318-V321 HydrophobicContact CB-CG2 4.07Å; A318-V321 PolarHBondContact O-N 3.48Å; A318-Q326 PolarHBondContact O-NE2 3.43Å
319	M	87.8	Confident	89.5	Confident	49 Å²	49	40.7 Å²	40.7	24%	0.241	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	-174	-57.3	-178.1	-66.3	0	0	113.3	L229 E309 T317	L229-M319 HydrophobicContact CB-CE 4.22Å; E309-M319 WeakPolarHBondContact O-CG 3.46Å; T317-M319 HydrophobicContact CG2-CG 4.02Å
320	K	86.9	Confident	91.9	Very high	106 Å²	106	36 Å²	36	46%	0.461	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.3	-177	-65.7	177.9	177.1	161.1	0	114.1	E230 S233 A318	E230-K320 WeakPolarHBondContact OE1-CE 3.39Å; E230-K320 IonicContact OE1-NZ 3.63Å; E230-K320 PolarHBondContact OE1-NZ 2.96Å; S233-K320 VanDerWaalsContact OG-CE 3.28Å; S233-K320 WeakPolarHBondContact OG-CE 3.48Å; S233-K320 PolarHBondContact OG-NZ 3.4Å; A318-K320 PolarHBondContact O-N 3.28Å
321	V	91.3	Very high	93.7	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.03	19%	0.19	C	C	.	.	S	Bend	trans	-103	133.1	174.9	-179.4	0	0	0	0	108.1	P238 V241 L242 A318 A323 Q326	P238-V321 HydrophobicContact CB-CG2 4.24Å; P238-V321 HydrophobicContact CG-CG2 4.46Å; V241-V321 HydrophobicContact CB-CG2 4.26Å; V241-V321 HydrophobicContact CG1-CB 4.48Å; V241-V321 HydrophobicContact CG1-CG1 4.39Å; V241-V321 HydrophobicContact CG1-CG2 4.11Å; V241-V321 HydrophobicContact CG2-CG2 4.28Å; L242-V321 HydrophobicContact CD2-CG1 3.87Å; L242-V321 HydrophobicContact CG-CG1 4.21Å; A318-V321 HydrophobicContact CB-CB 4.16Å; A318-V321 HydrophobicContact CB-CG2 4.07Å; A318-V321 PolarHBondContact O-N 3.48Å; V321-A323 PolarHBondContact O-N 3.27Å; V321-Q326 HydrophobicContact CB-CG 4.19Å; V321-Q326 HydrophobicContact CG1-CG 3.77Å; V321-Q326 PolarHBondContact O-NE2 3.25Å
322	P	93	Very high	94.5	Very high	72 Å²	72	34.5 Å²	34.5	47%	0.468	17%	0.173	S	C	.	.			trans	-53.9	127.8	-177.6	-27.7	35	0	0	0	112.8	E324 A325 Q326	P322-E324 VanDerWaalsContact C-N 3.3Å; P322-E324 PolarHBondContact O-N 3.06Å; P322-A325 HydrophobicContact CB-CB 4.26Å; P322-A325 PolarHBondContact O-N 2.86Å; P322-A325 VanDerWaalsContact O-N 3.13Å; P322-Q326 WeakPolarHBondContact O-CG 3.39Å; P322-Q326 PolarHBondContact O-N 3.49Å; P322-Q326 VanDerWaalsContact O-N 3.12Å
323	A	91.7	Very high	94.9	Very high	31 Å²	31	30.6 Å²	30.6	26%	0.256	16%	0.155	S	C	.	.	H	α-helix	trans	-56.8	-42.3	-176.2	0	0	0	0	0	112.3	V307 V321 A325 Q326 D327	V307-A323 HydrophobicContact CG1-CB 4.36Å; V321-A323 PolarHBondContact O-N 3.27Å; A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.34Å; A323-Q326 WeakPolarHBondContact O-CB 3.49Å; A323-Q326 PolarHBondContact O-N 3.36Å; A323-Q326 VanDerWaalsContact O-N 3.13Å; A323-D327 VanDerWaalsContact O-CG 3.28Å; A323-D327 PolarHBondContact O-N 2.76Å
324	E	92.4	Very high	95.1	Very high	95 Å²	95	32.5 Å²	32.5	44%	0.444	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-40.4	178.3	-61.9	-175.8	158.1	0	0	113	G299 P322 D327 A328	G299-E324 PolarHBondContact N-OE2 2.7Å; P322-E324 VanDerWaalsContact C-N 3.3Å; P322-E324 PolarHBondContact O-N 3.06Å; E324-D327 PolarHBondContact O-N 3.22Å; E324-A328 WeakPolarHBondContact O-CB 3.26Å; E324-A328 PolarHBondContact O-N 3.26Å
325	A	95.4	Very high	95.3	Very high	6 Å²	6	38.2 Å²	38.2	5%	0.05	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-40.4	177.3	0	0	0	0	0	110.6	L242 I296 P322 A323 A328 A329	L242-A325 HydrophobicContact CD1-CB 4.11Å; L242-A325 VanDerWaalsContact CD2-C 3.45Å; L242-A325 HydrophobicContact CD2-CB 3.89Å; L242-A325 WeakPolarHBondContact CD2-O 3.29Å; I296-A325 HydrophobicContact CB-CB 4.31Å; P322-A325 HydrophobicContact CB-CB 4.26Å; P322-A325 PolarHBondContact O-N 2.86Å; P322-A325 VanDerWaalsContact O-N 3.13Å; A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.34Å; A325-A328 PolarHBondContact O-N 3.38Å; A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 3.31Å
326	Q	96.3	Very high	95.5	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-42.8	174.7	-59.7	-179.2	54.9	0	0	111.7	L242 I245 A318 V321 P322 A323 A328 A329 E330	L242-Q326 HydrophobicContact CD2-CB 4.41Å; L242-Q326 HydrophobicContact CD2-CG 4.07Å; I245-Q326 HydrophobicContact CD1-CB 3.93Å; I245-Q326 HydrophobicContact CD1-CG 3.93Å; A318-Q326 PolarHBondContact O-NE2 3.43Å; V321-Q326 HydrophobicContact CB-CG 4.19Å; V321-Q326 HydrophobicContact CG1-CG 3.77Å; V321-Q326 PolarHBondContact O-NE2 3.25Å; P322-Q326 WeakPolarHBondContact O-CG 3.39Å; P322-Q326 PolarHBondContact O-N 3.49Å; P322-Q326 VanDerWaalsContact O-N 3.12Å; A323-Q326 WeakPolarHBondContact O-CB 3.49Å; A323-Q326 PolarHBondContact O-N 3.36Å; A323-Q326 VanDerWaalsContact O-N 3.13Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; Q326-A329 PolarHBondContact O-N 2.98Å; Q326-E330 PolarHBondContact O-N 3Å
327	D	95.9	Very high	95.5	Very high	47 Å²	47	37.8 Å²	37.8	25%	0.251	19%	0.186	S	C	.	.	H	α-helix	trans	-64.7	-39.5	176.1	-65.5	-22.5	0	0	0	111.5	R313 A323 E324 A329 E330 R331	R313-D327 IonicContact CZ-OD1 3.73Å; R313-D327 IonicContact NE-OD1 2.68Å; R313-D327 PolarHBondContact NE-OD1 3.24Å; R313-D327 IonicContact NH2-OD1 3.24Å; R313-D327 PolarHBondContact NH2-OD1 2.81Å; R313-D327 IonicContact NH2-OD2 3.69Å; A323-D327 VanDerWaalsContact O-CG 3.28Å; A323-D327 PolarHBondContact O-N 2.76Å; E324-D327 PolarHBondContact O-N 3.22Å; D327-A329 VanDerWaalsContact C-N 3.35Å; D327-E330 PolarHBondContact O-N 3.12Å; D327-R331 WeakPolarHBondContact O-CB 3.49Å; D327-R331 VanDerWaalsContact O-CG 3.28Å; D327-R331 WeakPolarHBondContact O-CG 3.46Å; D327-R331 PolarHBondContact O-N 2.98Å
328	A	97.1	Very high	95.6	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-44	174.9	0	0	0	0	0	111.2	T294 E324 A325 Q326 R331 L332	T294-A328 HydrophobicContact CG2-CB 4.14Å; E324-A328 WeakPolarHBondContact O-CB 3.26Å; E324-A328 PolarHBondContact O-N 3.26Å; A325-A328 PolarHBondContact O-N 3.38Å; Q326-A328 VanDerWaalsContact C-N 3.35Å; A328-R331 PolarHBondContact O-N 2.84Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 PolarHBondContact O-N 2.9Å
329	A	98.4	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-45.5	175.5	0	0	0	0	0	112.3	L242 I245 A246 L273 A325 Q326 D327 L332 G333	L242-A329 HydrophobicContact CB-CB 4.34Å; L242-A329 HydrophobicContact CD2-CB 4.26Å; L242-A329 WeakPolarHBondContact O-CB 3.36Å; I245-A329 HydrophobicContact CB-CB 4.33Å; I245-A329 HydrophobicContact CG2-CB 4.07Å; A246-A329 VanDerWaalsContact CA-O 3.25Å; A246-A329 WeakPolarHBondContact CA-O 3.47Å; A246-A329 HydrophobicContact CB-CB 4.25Å; A246-A329 VanDerWaalsContact CB-O 3.23Å; A246-A329 WeakPolarHBondContact CB-O 3.36Å; L273-A329 HydrophobicContact CD2-CB 3.74Å; A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 3.31Å; Q326-A329 PolarHBondContact O-N 2.98Å; D327-A329 VanDerWaalsContact C-N 3.35Å; A329-L332 WeakPolarHBondContact O-CB 3.47Å; A329-L332 PolarHBondContact O-N 2.98Å; A329-G333 PolarHBondContact O-N 3.3Å; A329-G333 VanDerWaalsContact O-N 3.15Å
330	E	98.3	Very high	96.3	Very high	47 Å²	47	40.9 Å²	40.9	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-47.1	177.7	-173.9	169.7	-133.6	0	0	111.3	I245 A249 Q326 D327 L332 G333 I334	I245-E330 HydrophobicContact CG2-CB 3.78Å; A249-E330 HydrophobicContact CB-CB 4.47Å; A249-E330 HydrophobicContact CB-CG 3.87Å; Q326-E330 PolarHBondContact O-N 3Å; D327-E330 PolarHBondContact O-N 3.12Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 2.96Å; E330-G333 PolarHBondContact O-N 3.35Å; E330-I334 HydrophobicContact CG-CD1 4.02Å; E330-I334 WeakPolarHBondContact O-CG1 3.38Å; E330-I334 PolarHBondContact O-N 2.82Å
331	R	98.5	Very high	96.9	Very high	131 Å²	131	38.3 Å²	38.3	49%	0.494	19%	0.193	S	C	.	.	H	α-helix	trans	-59.9	-38.5	175.6	-75	-173.5	-61.3	-104	-0	112.6	D327 A328 I334 K335	D327-R331 WeakPolarHBondContact O-CB 3.49Å; D327-R331 VanDerWaalsContact O-CG 3.28Å; D327-R331 WeakPolarHBondContact O-CG 3.46Å; D327-R331 PolarHBondContact O-N 2.98Å; A328-R331 PolarHBondContact O-N 2.84Å; R331-I334 PolarHBondContact O-N 3.08Å; R331-K335 WeakPolarHBondContact O-CB 3.45Å; R331-K335 VanDerWaalsContact O-CG 3.31Å; R331-K335 WeakPolarHBondContact O-CG 3.16Å; R331-K335 PolarHBondContact O-N 3.47Å
332	L	98.8	Very high	97.2	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-48	175.6	174.4	64.3	0	0	0	110.9	L273 M275 M292 T294 A328 A329 E330 K335 L336	L273-L332 HydrophobicContact CB-CD2 4.36Å; L273-L332 HydrophobicContact CD2-CD2 3.94Å; L273-L332 HydrophobicContact CG-CD2 3.78Å; L273-L332 WeakPolarHBondContact O-CD2 3.36Å; M275-L332 HydrophobicContact CB-CD2 3.8Å; M275-L332 HydrophobicContact CB-CG 4.22Å; M292-L332 HydrophobicContact CB-CD1 3.45Å; M292-L332 VanDerWaalsContact CB-CD1 3.45Å; T294-L332 HydrophobicContact CG2-CB 3.99Å; T294-L332 HydrophobicContact CG2-CD2 3.97Å; T294-L332 HydrophobicContact CG2-CG 4.46Å; A328-L332 WeakPolarHBondContact O-CB 3.47Å; A328-L332 PolarHBondContact O-N 2.9Å; A329-L332 WeakPolarHBondContact O-CB 3.47Å; A329-L332 PolarHBondContact O-N 2.98Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 2.96Å; L332-K335 PolarHBondContact O-N 2.92Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 PolarHBondContact O-N 3.18Å
333	G	98.7	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-45.9	178.2	0	0	0	0	0	112.8	A246 F250 A329 E330 A337	A246-G333 WeakPolarHBondContact O-CA 3.37Å; F250-G333 WeakPolarHBondContact CA-O 3.38Å; A329-G333 PolarHBondContact O-N 3.3Å; A329-G333 VanDerWaalsContact O-N 3.15Å; E330-G333 PolarHBondContact O-N 3.35Å; G333-A337 PolarHBondContact O-N 3.36Å
334	I	98.6	Very high	97.7	Very high	54 Å²	54	43.5 Å²	43.5	28%	0.277	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-51.6	177.9	-66.9	167.8	0	0	0	110.8	A249 Q253 E330 R331 L336 A337 D338	A249-I334 HydrophobicContact CB-CG1 4.31Å; Q253-I334 HydrophobicContact CG-CG2 4.24Å; E330-I334 HydrophobicContact CG-CD1 4.02Å; E330-I334 WeakPolarHBondContact O-CG1 3.38Å; E330-I334 PolarHBondContact O-N 2.82Å; R331-I334 PolarHBondContact O-N 3.08Å; I334-L336 VanDerWaalsContact C-N 3.3Å; I334-L336 PolarHBondContact O-N 3.47Å; I334-A337 WeakPolarHBondContact O-CB 3.46Å; I334-A337 PolarHBondContact O-N 3.05Å; I334-A337 VanDerWaalsContact O-N 3.08Å; I334-D338 PolarHBondContact O-N 3Å
335	K	98.8	Very high	97.9	Very high	126 Å²	126	39 Å²	39	55%	0.548	20%	0.2	S	C	.	.	H	α-helix	trans	-60.1	-39.6	-178.6	-75.8	-178.1	176.4	-175.3	0	112.6	M292 R331 L332 D338 L339	M292-K335 HydrophobicContact CE-CB 4.08Å; M292-K335 HydrophobicContact SD-CB 4.13Å; R331-K335 WeakPolarHBondContact O-CB 3.45Å; R331-K335 VanDerWaalsContact O-CG 3.31Å; R331-K335 WeakPolarHBondContact O-CG 3.16Å; R331-K335 PolarHBondContact O-N 3.47Å; L332-K335 PolarHBondContact O-N 2.92Å; K335-D338 PolarHBondContact O-N 2.73Å; K335-L339 WeakPolarHBondContact O-CB 3.46Å; K335-L339 PolarHBondContact O-N 3.39Å
336	L	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-39.7	176.7	-178.3	61.1	0	0	0	111.5	F250 M275 E290 M292 L332 I334 L339 L340	F250-L336 HydrophobicContact CD2-CB 4.14Å; F250-L336 HydrophobicContact CD2-CD2 4.19Å; F250-L336 HydrophobicContact CD2-CG 3.99Å; F250-L336 HydrophobicContact CE2-CB 4.46Å; F250-L336 HydrophobicContact CE2-CD2 4.22Å; F250-L336 HydrophobicContact CE2-CG 3.88Å; M275-L336 HydrophobicContact CB-CD2 4.23Å; M275-L336 HydrophobicContact CE-CD2 4.08Å; M275-L336 HydrophobicContact CG-CD2 3.62Å; M275-L336 HydrophobicContact SD-CD2 3.94Å; E290-L336 HydrophobicContact CB-CD1 3.72Å; M292-L336 HydrophobicContact CB-CD1 4.46Å; M292-L336 HydrophobicContact CG-CD1 3.96Å; M292-L336 HydrophobicContact SD-CB 4.02Å; M292-L336 HydrophobicContact SD-CD1 4.2Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 PolarHBondContact O-N 3.18Å; I334-L336 VanDerWaalsContact C-N 3.3Å; I334-L336 PolarHBondContact O-N 3.47Å; L336-L339 PolarHBondContact O-N 3.27Å; L336-L340 HydrophobicContact CD1-CD1 3.93Å; L336-L340 HydrophobicContact CG-CD1 4.32Å; L336-L340 VanDerWaalsContact O-CD1 3.26Å; L336-L340 WeakPolarHBondContact O-CD1 3.41Å; L336-L340 PolarHBondContact O-N 3.01Å
337	A	98.5	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-45.3	175	0	0	0	0	0	111.5	F250 Q253 L254 G333 I334 L339 L340 L341	F250-A337 HydrophobicContact CD2-CB 3.67Å; F250-A337 HydrophobicContact CE2-CB 4.17Å; F250-A337 HydrophobicContact CG-CB 4.49Å; Q253-A337 HydrophobicContact CB-CB 3.58Å; Q253-A337 HydrophobicContact CG-CB 3.56Å; L254-A337 HydrophobicContact CD2-CB 3.97Å; L254-A337 HydrophobicContact CG-CB 3.86Å; G333-A337 PolarHBondContact O-N 3.36Å; I334-A337 WeakPolarHBondContact O-CB 3.46Å; I334-A337 PolarHBondContact O-N 3.05Å; I334-A337 VanDerWaalsContact O-N 3.08Å; A337-L339 VanDerWaalsContact C-N 3.31Å; A337-L339 PolarHBondContact O-N 2.84Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 3.49Å; A337-L340 VanDerWaalsContact O-N 3.13Å; A337-L341 VanDerWaalsContact O-CG 3.3Å; A337-L341 WeakPolarHBondContact O-CG 3.4Å; A337-L341 PolarHBondContact O-N 2.97Å
338	D	98.6	Very high	97.7	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-61	-40.3	177.2	-67.9	-22.5	0	0	0	111.8	Q253 I334 K335 L341 S342	Q253-D338 PolarHBondContact NE2-OD1 3.27Å; I334-D338 PolarHBondContact O-N 3Å; K335-D338 PolarHBondContact O-N 2.73Å; D338-L341 PolarHBondContact O-N 2.82Å; D338-S342 WeakPolarHBondContact O-CB 3.16Å; D338-S342 PolarHBondContact O-N 3.09Å
339	L	98.6	Very high	97.5	Very high	52 Å²	52	50.5 Å²	50.5	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-47.5	173	177.5	61.8	0	0	0	111.2	E290 M292 K335 L336 A337 L341 S342 K343	E290-L339 HydrophobicContact CB-CD2 3.88Å; E290-L339 HydrophobicContact CG-CD2 3.89Å; E290-L339 HydrophobicContact CG-CG 4.22Å; M292-L339 HydrophobicContact SD-CD2 4.39Å; K335-L339 WeakPolarHBondContact O-CB 3.46Å; K335-L339 PolarHBondContact O-N 3.39Å; L336-L339 PolarHBondContact O-N 3.27Å; A337-L339 VanDerWaalsContact C-N 3.31Å; A337-L339 PolarHBondContact O-N 2.84Å; L339-L341 PolarHBondContact O-N 3.2Å; L339-S342 PolarHBondContact O-N 3.44Å; L339-S342 PolarHBondContact O-OG 2.94Å; L339-K343 HydrophobicContact CD1-CD 4.4Å; L339-K343 WeakPolarHBondContact O-CG 3.45Å; L339-K343 PolarHBondContact O-N 3.27Å
340	L	98.6	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-41.5	176.7	-96	71.6	0	0	0	112.1	F250 L254 V279 I288 E290 L336 A337 K343 G344 A345	F250-L340 HydrophobicContact CE2-CD2 3.91Å; F250-L340 HydrophobicContact CZ-CD2 3.73Å; L254-L340 HydrophobicContact CD2-CB 4.43Å; V279-L340 HydrophobicContact CG1-CD2 4.04Å; V279-L340 HydrophobicContact CG2-CD2 4.36Å; I288-L340 HydrophobicContact CB-CG 4.49Å; I288-L340 HydrophobicContact CG2-CG 3.88Å; E290-L340 HydrophobicContact CB-CD1 3.65Å; E290-L340 HydrophobicContact CG-CD1 3.62Å; L336-L340 HydrophobicContact CD1-CD1 3.93Å; L336-L340 HydrophobicContact CG-CD1 4.32Å; L336-L340 VanDerWaalsContact O-CD1 3.26Å; L336-L340 WeakPolarHBondContact O-CD1 3.41Å; L336-L340 PolarHBondContact O-N 3.01Å; A337-L340 WeakPolarHBondContact O-CB 3.42Å; A337-L340 PolarHBondContact O-N 3.49Å; A337-L340 VanDerWaalsContact O-N 3.13Å; L340-K343 CarbonylContact O-C 3.54Å; L340-K343 PolarHBondContact O-N 3.44Å; L340-K343 VanDerWaalsContact O-N 3.12Å; L340-G344 PolarHBondContact O-N 3.16Å; L340-A345 VanDerWaalsContact C-CB 3.45Å; L340-A345 HydrophobicContact CB-CB 3.91Å; L340-A345 WeakPolarHBondContact O-CB 3.44Å; L340-A345 PolarHBondContact O-N 3.23Å
341	L	97.9	Very high	96.8	Very high	52 Å²	52	54.4 Å²	54.4	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.4	-70.8	169.2	0	0	0	111.2	L254 A337 D338 L339 K343 G344 K346	L254-L341 HydrophobicContact CD2-CD1 4.38Å; L254-L341 HydrophobicContact CD2-CD2 3.94Å; L254-L341 HydrophobicContact CD2-CG 3.82Å; A337-L341 VanDerWaalsContact O-CG 3.3Å; A337-L341 WeakPolarHBondContact O-CG 3.4Å; A337-L341 PolarHBondContact O-N 2.97Å; D338-L341 PolarHBondContact O-N 2.82Å; L339-L341 PolarHBondContact O-N 3.2Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-G344 PolarHBondContact O-N 2.8Å; L341-K346 HydrophobicContact CD2-CB 3.95Å
342	S	98	Very high	96.4	Very high	94 Å²	94	48.2 Å²	48.2	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-62	-24.5	175.5	79.1	0	0	0	0	113.4	D338 L339	D338-S342 WeakPolarHBondContact O-CB 3.16Å; D338-S342 PolarHBondContact O-N 3.09Å; L339-S342 PolarHBondContact O-N 3.44Å; L339-S342 PolarHBondContact O-OG 2.94Å
343	K	98.3	Very high	95.8	Very high	101 Å²	101	51.5 Å²	51.5	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.8	176.5	-70.7	-177.9	168.7	-173.1	0	113.8	I288 E290 L339 L340 L341	I288-K343 HydrophobicContact CD1-CB 4.14Å; I288-K343 WeakPolarHBondContact CD1-O 3.35Å; I288-K343 HydrophobicContact CG2-CB 3.96Å; I288-K343 HydrophobicContact CG2-CD 4.18Å; E290-K343 HydrophobicContact CG-CD 4.18Å; E290-K343 WeakPolarHBondContact OE1-CD 3.4Å; E290-K343 IonicContact OE1-NZ 2.61Å; E290-K343 PolarHBondContact OE1-NZ 3.49Å; E290-K343 IonicContact OE2-NZ 2.86Å; E290-K343 PolarHBondContact OE2-NZ 2.82Å; L339-K343 HydrophobicContact CD1-CD 4.4Å; L339-K343 WeakPolarHBondContact O-CG 3.45Å; L339-K343 PolarHBondContact O-N 3.27Å; L340-K343 CarbonylContact O-C 3.54Å; L340-K343 PolarHBondContact O-N 3.44Å; L340-K343 VanDerWaalsContact O-N 3.12Å; L341-K343 PolarHBondContact O-N 3.3Å
344	G	97.1	Very high	95.2	Very high	23 Å²	23	57.3 Å²	57.3	24%	0.237	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	13	176.6	0	0	0	0	0	115.5	L340 L341 K346 E347	L340-G344 PolarHBondContact O-N 3.16Å; L341-G344 PolarHBondContact O-N 2.8Å; G344-K346 PolarHBondContact O-N 2.74Å; G344-K346 VanDerWaalsContact O-N 3.11Å; G344-E347 PolarHBondContact O-N 2.77Å; G344-E347 VanDerWaalsContact O-N 3.17Å
345	A	96.6	Very high	94.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-30.1	179.7	0	0	0	0	0	113.6	V279 I288 L340 E347 I348 L349	V279-A345 HydrophobicContact CG1-CB 4.24Å; V279-A345 HydrophobicContact CG2-CB 3.62Å; I288-A345 HydrophobicContact CD1-CB 4.06Å; I288-A345 VanDerWaalsContact CD1-N 3.31Å; L340-A345 VanDerWaalsContact C-CB 3.45Å; L340-A345 HydrophobicContact CB-CB 3.91Å; L340-A345 WeakPolarHBondContact O-CB 3.44Å; L340-A345 PolarHBondContact O-N 3.23Å; A345-E347 VanDerWaalsContact C-N 3.31Å; A345-E347 PolarHBondContact O-N 2.84Å; A345-I348 PolarHBondContact O-N 2.91Å; A345-L349 WeakPolarHBondContact O-CB 3.47Å; A345-L349 VanDerWaalsContact O-CG 3.27Å; A345-L349 WeakPolarHBondContact O-CG 3.49Å; A345-L349 PolarHBondContact O-N 2.74Å
346	K	94.4	Very high	93.8	Very high	141 Å²	141	53.5 Å²	53.5	61%	0.613	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-40.9	179.5	-171.3	172.7	-177.6	172.9	0	112.4	L341 G344 T350	L341-K346 HydrophobicContact CD2-CB 3.95Å; G344-K346 PolarHBondContact O-N 2.74Å; G344-K346 VanDerWaalsContact O-N 3.11Å; K346-T350 WeakPolarHBondContact O-CB 3.1Å; K346-T350 PolarHBondContact O-N 2.93Å; K346-T350 PolarHBondContact O-OG1 2.83Å
347	E	94.7	Very high	92.7	Very high	148 Å²	148	58.6 Å²	58.6	69%	0.692	30%	0.304	S	S	*	.	H	α-helix	trans	-68.2	-47.6	-179.1	-67.6	173.2	-175.8	0	0	110.6	G344 A345 L349 T350 V351	G344-E347 PolarHBondContact O-N 2.77Å; G344-E347 VanDerWaalsContact O-N 3.17Å; A345-E347 VanDerWaalsContact C-N 3.31Å; A345-E347 PolarHBondContact O-N 2.84Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3.47Å; E347-T350 PolarHBondContact O-N 2.84Å; E347-V351 WeakPolarHBondContact O-CG2 3.46Å; E347-V351 PolarHBondContact O-N 2.72Å
348	I	95.2	Very high	91.6	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-48.2	176.3	-61	178	0	0	0	110.6	V279 Y280 Q286 I288 A345 A352	V279-I348 HydrophobicContact CG2-CD1 4.27Å; Y280-I348 WeakPolarHBondContact O-CG2 3.31Å; Q286-I348 HydrophobicContact CB-CD1 4.12Å; Q286-I348 HydrophobicContact CB-CG1 4.42Å; I288-I348 HydrophobicContact CD1-CD1 3.77Å; I288-I348 HydrophobicContact CG1-CD1 3.9Å; A345-I348 PolarHBondContact O-N 2.91Å; I348-A352 VanDerWaalsContact O-CB 3.26Å; I348-A352 WeakPolarHBondContact O-CB 3.21Å; I348-A352 PolarHBondContact O-N 3.19Å
349	L	92	Very high	90	Very high	3 Å²	3	67 Å²	67	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-37.7	-179.4	-68.3	174.5	0	0	0	112.5	L254 V260 V262 V279 A345 E347 A352 R353	L254-L349 HydrophobicContact CB-CD1 4.13Å; L254-L349 HydrophobicContact CD2-CD1 4.39Å; V260-L349 HydrophobicContact CB-CD2 3.81Å; V260-L349 HydrophobicContact CG1-CD2 4.18Å; V260-L349 HydrophobicContact CG2-CD2 4.16Å; V262-L349 HydrophobicContact CG2-CD2 3.83Å; V279-L349 HydrophobicContact CB-CD2 4.22Å; V279-L349 HydrophobicContact CB-CG 4.45Å; V279-L349 HydrophobicContact CG1-CD1 4.08Å; V279-L349 HydrophobicContact CG1-CD2 3.98Å; V279-L349 HydrophobicContact CG1-CG 4.14Å; A345-L349 WeakPolarHBondContact O-CB 3.47Å; A345-L349 VanDerWaalsContact O-CG 3.27Å; A345-L349 WeakPolarHBondContact O-CG 3.49Å; A345-L349 PolarHBondContact O-N 2.74Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3.47Å; L349-A352 PolarHBondContact O-N 3.08Å; L349-R353 VanDerWaalsContact O-CG 3.31Å; L349-R353 WeakPolarHBondContact O-CG 3.44Å; L349-R353 PolarHBondContact O-N 2.86Å
350	T	90.9	Very high	89.6	Confident	57 Å²	57	67.7 Å²	67.7	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-49.9	178.1	-61.2	0	0	0	0	110.9	K346 E347 A352 R353 Q354	K346-T350 WeakPolarHBondContact O-CB 3.1Å; K346-T350 PolarHBondContact O-N 2.93Å; K346-T350 PolarHBondContact O-OG1 2.83Å; E347-T350 PolarHBondContact O-N 2.84Å; T350-A352 VanDerWaalsContact C-N 3.32Å; T350-A352 PolarHBondContact O-N 2.79Å; T350-R353 PolarHBondContact O-N 3.47Å; T350-Q354 WeakPolarHBondContact O-CG 3.36Å; T350-Q354 PolarHBondContact O-N 3.02Å; T350-Q354 VanDerWaalsContact O-N 3.08Å
351	V	91.3	Very high	89.1	Confident	72 Å²	72	71.3 Å²	71.3	44%	0.436	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-42.3	177.7	173.8	0	0	0	0	110.6	E347 R353 Q354 L355	E347-V351 WeakPolarHBondContact O-CG2 3.46Å; E347-V351 PolarHBondContact O-N 2.72Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 3.33Å; V351-Q354 PolarHBondContact O-N 2.82Å; V351-L355 HydrophobicContact CG1-CD1 3.79Å; V351-L355 HydrophobicContact CG1-CG 4.25Å; V351-L355 WeakPolarHBondContact O-CB 3.48Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.8Å
352	A	89.4	Confident	88.7	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-39	178	0	0	0	0	0	112.9	P261 L282 I348 L349 T350 N356	P261-A352 HydrophobicContact CG-CB 4.32Å; L282-A352 HydrophobicContact CD2-CB 3.88Å; L282-A352 HydrophobicContact CG-CB 4.04Å; I348-A352 VanDerWaalsContact O-CB 3.26Å; I348-A352 WeakPolarHBondContact O-CB 3.21Å; I348-A352 PolarHBondContact O-N 3.19Å; L349-A352 PolarHBondContact O-N 3.08Å; T350-A352 VanDerWaalsContact C-N 3.32Å; T350-A352 PolarHBondContact O-N 2.79Å; A352-N356 WeakPolarHBondContact O-CB 3.48Å; A352-N356 PolarHBondContact O-N 3.1Å; A352-N356 VanDerWaalsContact O-N 3.09Å
353	R	86.7	Confident	88.1	Confident	74 Å²	74	71.1 Å²	71.1	28%	0.279	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-51.9	174.6	-71.1	174.5	-161.6	172.8	7.7	111.2	L254 E255 V260 L349 T350 V351 L355 N356 D357	L254-R353 PolarHBondContact O-NH2 2.83Å; E255-R353 PolarHBondContact O-NH2 3.32Å; V260-R353 HydrophobicContact CG1-CG 3.44Å; V260-R353 VanDerWaalsContact CG1-CG 3.44Å; L349-R353 VanDerWaalsContact O-CG 3.31Å; L349-R353 WeakPolarHBondContact O-CG 3.44Å; L349-R353 PolarHBondContact O-N 2.86Å; T350-R353 PolarHBondContact O-N 3.47Å; V351-R353 VanDerWaalsContact C-N 3.33Å; V351-R353 PolarHBondContact O-N 3.33Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.33Å; R353-N356 PolarHBondContact O-N 2.9Å; R353-N356 VanDerWaalsContact O-N 3.08Å; R353-D357 VanDerWaalsContact O-CG 3.26Å; R353-D357 PolarHBondContact O-N 3.28Å
354	Q	86.4	Confident	87.5	Confident	122 Å²	122	69.2 Å²	69.2	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-56.8	-46.4	-178.9	-70.8	173.2	-14.2	0	0	112.4	T350 V351 N356 D357 A358	T350-Q354 WeakPolarHBondContact O-CG 3.36Å; T350-Q354 PolarHBondContact O-N 3.02Å; T350-Q354 VanDerWaalsContact O-N 3.08Å; V351-Q354 PolarHBondContact O-N 2.82Å; Q354-N356 VanDerWaalsContact C-N 3.32Å; Q354-N356 PolarHBondContact O-N 3.2Å; Q354-D357 PolarHBondContact O-N 3.35Å; Q354-A358 WeakPolarHBondContact O-CB 3.5Å; Q354-A358 PolarHBondContact O-N 3.3Å; Q354-A358 VanDerWaalsContact O-N 3.14Å
355	L	85.6	Confident	86.8	Confident	93 Å²	93	72.3 Å²	72.3	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-33.5	178.1	-70.6	175.7	0	0	0	112.7	L282 V351 R353 R359	L282-L355 HydrophobicContact CD1-CB 3.42Å; L282-L355 VanDerWaalsContact CD1-CB 3.42Å; L282-L355 HydrophobicContact CD1-CD1 4.31Å; L282-L355 HydrophobicContact CG-CB 4.45Å; V351-L355 HydrophobicContact CG1-CD1 3.79Å; V351-L355 HydrophobicContact CG1-CG 4.25Å; V351-L355 WeakPolarHBondContact O-CB 3.48Å; V351-L355 WeakPolarHBondContact O-CG 3.46Å; V351-L355 PolarHBondContact O-N 2.8Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.33Å; L355-R359 PolarHBondContact O-N 3.49Å
356	N	81.4	Confident	86.1	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	39%	0.389	C	S	.	.	H	α-helix	trans	-72.2	-34.2	176.9	175.4	67.5	0	0	0	112.4	S66 L145 L282 A352 R353 Q354 A358	S66-N356 WeakPolarHBondContact CB-ND2 3.38Å; S66-N356 WeakPolarHBondContact CB-OD1 3.41Å; L145-N356 HydrophobicContact CD1-CB 4.1Å; L145-N356 WeakPolarHBondContact CD1-OD1 3.49Å; L282-N356 HydrophobicContact CD1-CB 4.3Å; A352-N356 WeakPolarHBondContact O-CB 3.48Å; A352-N356 PolarHBondContact O-N 3.1Å; A352-N356 VanDerWaalsContact O-N 3.09Å; R353-N356 PolarHBondContact O-N 2.9Å; R353-N356 VanDerWaalsContact O-N 3.08Å; Q354-N356 VanDerWaalsContact C-N 3.32Å; Q354-N356 PolarHBondContact O-N 3.2Å; N356-A358 VanDerWaalsContact C-N 3.3Å
357	D	77.1	Confident	85.5	Confident	107 Å²	107	72.5 Å²	72.5	57%	0.572	37%	0.372	S	S	*	.	H	α-helix	trans	-72.3	-27.5	175.9	-63.5	-16.7	0	0	0	111.7	R353 Q354	R353-D357 VanDerWaalsContact O-CG 3.26Å; R353-D357 PolarHBondContact O-N 3.28Å; Q354-D357 PolarHBondContact O-N 3.35Å
358	A	74.4	Confident	84.7	Confident	86 Å²	86	66.3 Å²	66.3	71%	0.711	35%	0.345	S	S	*	.	H	α-helix	trans	-80.9	-23.1	177.3	0	0	0	0	0	114.8	Q354 N356	Q354-A358 WeakPolarHBondContact O-CB 3.5Å; Q354-A358 PolarHBondContact O-N 3.3Å; Q354-A358 VanDerWaalsContact O-N 3.14Å; N356-A358 VanDerWaalsContact C-N 3.3Å
359	R	66.6	Low	83.8	Confident	158 Å²	158	70.9 Å²	70.9	60%	0.596	37%	0.369	S	S	*	.			trans	-75.3	0	174.4	-85.5	178.2	128.1	-153.9	-4.1	110.3	K67 L355	K67-R359 VanDerWaalsContact CE-O 3.24Å; K67-R359 WeakPolarHBondContact CE-O 3.38Å; K67-R359 WeakPolarHBondContact CE-OXT 3.33Å; K67-R359 VanDerWaalsContact NZ-C 3.27Å; K67-R359 PolarHBondContact NZ-O 3.15Å; K67-R359 PolarHBondContact NZ-OXT 2.69Å; L355-R359 PolarHBondContact O-N 3.49Å

Retrieved 359 of 359 residues in 169.7 ms (Link to these results)

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