A0A087XRW5_POEFO Loading...

General transcription factor IIE subunit 1

Recruits TFIIH to the initiation complex and stimulates the RNA polymerase II C-terminal domain kinase and DNA-dependent ATPase activities of TFIIH. Both TFIIH and TFIIE are required for promoter clearance by RNA polymerase.

AlphaFold DB , UniProt , Accession A0A087XRW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 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	39.2	Very low	43.1	Very low	223 Å²	223	96.3 Å²	96.3	100%	1.099	50%	0.503	S	S	*	.				0	-26.6	0	-73.8	-170.1	179.4	0	0	113.5
2	G	37.2	Very low	42.3	Very low	44 Å²	44	93.6 Å²	93.6	45%	0.454	50%	0.498	S	S	.	.	H	α-helix	trans	-62.9	-48.7	178.9	0	0	0	0	0	115.2	N4 F5 F6	G2-N4 PolarHBondContact O-N 3.42Å; G2-F5 WeakPolarHBondContact O-CB 3.27Å; G2-F5 PolarHBondContact O-N 3.12Å; G2-F5 VanDerWaalsContact O-N 3.14Å; G2-F6 WeakPolarHBondContact O-CD2 3.46Å
3	L	42.3	Very low	42.2	Very low	52 Å²	52	95.5 Å²	95.5	27%	0.272	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-38.8	-177	-85.1	120.9	0	0	0	114.2	F5 F6 I7 E131 V191	L3-F5 PolarHBondContact O-N 2.96Å; L3-F6 PolarHBondContact O-N 3.38Å; L3-I7 WeakPolarHBondContact O-CG1 3.17Å; L3-I7 PolarHBondContact O-N 2.99Å; L3-E131 HydrophobicContact CD2-CG 4.31Å; L3-E131 WeakPolarHBondContact CD2-OE1 3.45Å; L3-V191 HydrophobicContact CD1-CG1 4.43Å
4	N	41.2	Very low	41.8	Very low	112 Å²	112	98.6 Å²	98.6	60%	0.599	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-25.6	177.5	-84.6	-34.9	0	0	0	113.2	G2 I7 V8	G2-N4 PolarHBondContact O-N 3.42Å; N4-I7 WeakPolarHBondContact OD1-CD1 3.31Å; N4-V8 WeakPolarHBondContact O-CG2 3.33Å; N4-V8 PolarHBondContact O-N 3.18Å
5	F	44.5	Very low	41.6	Very low	151 Å²	151	102.8 Å²	102.8	66%	0.662	55%	0.55	S	S	*	.	H	α-helix	trans	-72.8	-34.7	176.6	-153.1	-94.1	0	0	0	111.6	G2 L3 M9	G2-F5 WeakPolarHBondContact O-CB 3.27Å; G2-F5 PolarHBondContact O-N 3.12Å; G2-F5 VanDerWaalsContact O-N 3.14Å; L3-F5 PolarHBondContact O-N 2.96Å; F5-M9 PolarHBondContact O-N 2.92Å
6	F	45.8	Very low	41	Very low	42 Å²	42	105.5 Å²	105.5	18%	0.184	56%	0.555	C	S	.	*	H	α-helix	trans	-71.9	-35.1	175	-79.4	-87.9	0	0	0	113	G2 L3 V8 M9 F10 E199	G2-F6 WeakPolarHBondContact O-CD2 3.46Å; L3-F6 PolarHBondContact O-N 3.38Å; F6-V8 PolarHBondContact O-N 3.27Å; F6-M9 PolarHBondContact O-N 2.99Å; F6-F10 PolarHBondContact O-N 3.4Å; F6-E199 WeakPolarHBondContact CE1-OE1 3.36Å; F6-E199 WeakPolarHBondContact CE1-OE2 3.41Å; F6-E199 WeakPolarHBondContact CZ-OE1 3.44Å; F6-E199 WeakPolarHBondContact CZ-OE2 3.07Å
7	I	47.2	Very low	40.7	Very low	44 Å²	44	110.1 Å²	110.1	23%	0.226	58%	0.575	C	S	.	*	H	α-helix	trans	-56.3	-52.2	174.3	-66.4	173.8	0	0	0	111.2	L3 N4 M9 F10 L11	L3-I7 WeakPolarHBondContact O-CG1 3.17Å; L3-I7 PolarHBondContact O-N 2.99Å; N4-I7 WeakPolarHBondContact OD1-CD1 3.31Å; I7-M9 VanDerWaalsContact C-N 3.27Å; I7-M9 PolarHBondContact O-N 3Å; I7-F10 PolarHBondContact O-N 3.12Å; I7-L11 HydrophobicContact CG2-CD1 3.82Å; I7-L11 WeakPolarHBondContact O-CB 3.28Å; I7-L11 PolarHBondContact O-N 3.38Å
8	V	46.4	Very low	40.6	Very low	96 Å²	96	111.5 Å²	111.5	58%	0.582	58%	0.582	S	S	*	*	H	α-helix	trans	-69	-29.9	-172.5	-179.8	0	0	0	0	111.1	N4 F6 S12	N4-V8 WeakPolarHBondContact O-CG2 3.33Å; N4-V8 PolarHBondContact O-N 3.18Å; F6-V8 PolarHBondContact O-N 3.27Å; V8-S12 WeakPolarHBondContact O-CB 3.46Å; V8-S12 PolarHBondContact O-N 3.12Å; V8-S12 PolarHBondContact O-OG 3.48Å
9	M	43.3	Very low	40.6	Very low	99 Å²	99	115.4 Å²	115.4	49%	0.488	60%	0.597	S	S	.	*	H	α-helix	trans	-75.5	-34.8	174.2	-73	-143.9	75.4	0	0	113.7	F5 F6 I7 R206	F5-M9 PolarHBondContact O-N 2.92Å; F6-M9 PolarHBondContact O-N 2.99Å; I7-M9 VanDerWaalsContact C-N 3.27Å; I7-M9 PolarHBondContact O-N 3Å; M9-R206 PolarHBondContact SD-NH1 3.28Å
10	F	45.4	Very low	40.5	Very low	68 Å²	68	113.2 Å²	113.2	30%	0.298	59%	0.59	S	S	.	*	H	α-helix	trans	-85.5	-22.5	-179.1	-107.1	-88.3	0	0	0	114.4	F6 I7 Y202	F6-F10 PolarHBondContact O-N 3.4Å; I7-F10 PolarHBondContact O-N 3.12Å; F10-Y202 AromaticContact CE2-CD1 3.52Å; F10-Y202 HydrophobicContact CE2-CD1 3.52Å; F10-Y202 HydrophobicContact CE2-CE1 4.01Å; F10-Y202 HydrophobicContact CE2-CG 4.33Å; F10-Y202 AromaticContact CZ-CD1 3.62Å; F10-Y202 HydrophobicContact CZ-CD1 3.62Å; F10-Y202 AromaticContact CZ-CE1 3.98Å; F10-Y202 HydrophobicContact CZ-CE1 3.98Å
11	L	41.7	Very low	40.3	Very low	128 Å²	128	116.1 Å²	116.1	67%	0.67	60%	0.601	S	S	*	*	S	Bend	trans	-102.6	7	179.4	-86.2	150	0	0	0	114.1	I7 P13	I7-L11 HydrophobicContact CG2-CD1 3.82Å; I7-L11 WeakPolarHBondContact O-CB 3.28Å; I7-L11 PolarHBondContact O-N 3.38Å; L11-P13 VanDerWaalsContact O-CD 3.22Å; L11-P13 WeakPolarHBondContact O-CD 3.27Å
12	S	33.3	Very low	40.5	Very low	64 Å²	64	109.9 Å²	109.9	45%	0.448	58%	0.576	S	S	.	*			trans	-85.5	113.4	173.1	-74.1	0	0	0	0	110.4	V8 Q14	V8-S12 WeakPolarHBondContact O-CB 3.46Å; V8-S12 PolarHBondContact O-N 3.12Å; V8-S12 PolarHBondContact O-OG 3.48Å; S12-Q14 PolarHBondContact O-N 3.37Å
13	P	41.3	Very low	40.7	Very low	119 Å²	119	111.4 Å²	111.4	77%	0.773	57%	0.573	S	S	*	*			trans	-74.8	83.6	163.8	32.1	-29.2	0	0	0	107.2	L11 L15	L11-P13 VanDerWaalsContact O-CD 3.22Å; L11-P13 WeakPolarHBondContact O-CD 3.27Å; P13-L15 PolarHBondContact O-N 3.42Å
14	Q	36.3	Very low	40.8	Very low	139 Å²	139	115.2 Å²	115.2	65%	0.65	60%	0.598	S	S	*	*			trans	-69.9	90.8	165.3	-88.8	-90.2	7	0	0	107.4	S12 K16	S12-Q14 PolarHBondContact O-N 3.37Å; Q14-K16 PolarHBondContact O-N 3.39Å
15	L	39.1	Very low	41.4	Very low	161 Å²	161	117 Å²	117	84%	0.843	60%	0.603	S	S	*	*			trans	-65.3	79	162.8	-134.4	104.2	0	0	0	107.7	P13	P13-L15 PolarHBondContact O-N 3.42Å
16	K	31.6	Very low	42	Very low	146 Å²	146	111.2 Å²	111.2	64%	0.635	58%	0.58	S	S	*	*			trans	-106.5	104.6	161.9	-80.6	-177.2	179.2	178.1	0	106.9	Q14 I18	Q14-K16 PolarHBondContact O-N 3.39Å; K16-I18 HydrophobicContact CB-CD1 4.44Å; K16-I18 PolarHBondContact O-N 3.21Å
17	M	35.6	Very low	43	Very low	183 Å²	183	109.9 Å²	109.9	90%	0.901	58%	0.575	S	S	*	*			trans	-63.8	92.1	166.2	-60.9	-153.3	-52.1	0	0	107.8
18	I	38.5	Very low	44	Very low	136 Å²	136	111.5 Å²	111.5	70%	0.697	60%	0.596	S	S	*	*			trans	-116.3	111.2	160.2	-65.8	162.4	0	0	0	102.7	K16 P20	K16-I18 HydrophobicContact CB-CD1 4.44Å; K16-I18 PolarHBondContact O-N 3.21Å; I18-P20 WeakPolarHBondContact O-CD 3.45Å; I18-P20 VanDerWaalsContact O-N 3.15Å
19	E	41.3	Very low	45.1	Very low	185 Å²	185	108.3 Å²	108.3	86%	0.864	58%	0.577	S	S	*	*			trans	-49.3	118.9	-180	-71.1	173	150.9	0	0	109	E21	E19-E21 PolarHBondContact O-N 3.48Å; E19-E21 VanDerWaalsContact O-N 3.14Å
20	P	39.3	Very low	46.7	Very low	71 Å²	71	103.8 Å²	103.8	46%	0.461	56%	0.555	S	S	.	*			trans	-79.2	110.6	-175	29.7	-29.9	0	0	0	108	I18 V22 N212	I18-P20 WeakPolarHBondContact O-CD 3.45Å; I18-P20 VanDerWaalsContact O-N 3.15Å; P20-V22 WeakPolarHBondContact O-CG2 3.3Å; P20-V22 PolarHBondContact O-N 3.1Å; P20-V22 VanDerWaalsContact O-N 3.09Å; P20-N212 HydrophobicContact CB-CB 4.21Å
21	E	36.6	Very low	48.4	Very low	176 Å²	176	104 Å²	104	82%	0.822	56%	0.556	S	S	*	*			trans	-53.8	111.4	167.3	-161.6	171.3	-165	0	0	108.6	E19 L23	E19-E21 PolarHBondContact O-N 3.48Å; E19-E21 VanDerWaalsContact O-N 3.14Å; E21-L23 PolarHBondContact O-N 2.85Å
22	V	41.9	Very low	50.3	Low	92 Å²	92	104.4 Å²	104.4	56%	0.558	55%	0.549	S	S	*	.			trans	-77.1	97.8	-172.5	-176.9	0	0	0	0	108.3	P20 T24	P20-V22 WeakPolarHBondContact O-CG2 3.3Å; P20-V22 PolarHBondContact O-N 3.1Å; P20-V22 VanDerWaalsContact O-N 3.09Å; V22-T24 PolarHBondContact O-N 3.28Å
23	L	41.1	Very low	52.7	Low	76 Å²	76	101.4 Å²	101.4	40%	0.398	53%	0.528	S	S	.	.			trans	-70.7	127.3	178.5	-65.3	172.8	0	0	0	111.1	E21 E25 P27 I211	E21-L23 PolarHBondContact O-N 2.85Å; L23-E25 VanDerWaalsContact C-N 3.34Å; L23-P27 HydrophobicContact CD1-CG 3.93Å; L23-I211 HydrophobicContact CD1-CG2 3.98Å
24	T	45.9	Very low	54.6	Low	131 Å²	131	95.8 Å²	95.8	80%	0.804	49%	0.492	S	S	*	.	S	Bend	trans	-85.3	-2.8	-179.8	48.7	0	0	0	0	113.7	V22	V22-T24 PolarHBondContact O-N 3.28Å
25	E	52.4	Low	57	Low	151 Å²	151	93.2 Å²	93.2	71%	0.706	48%	0.478	S	S	*	.	S	Bend	trans	-123.7	150.3	176.5	-65.2	-172.7	-177.8	0	0	111.2	L23 P27	L23-E25 VanDerWaalsContact C-N 3.34Å; E25-P27 WeakPolarHBondContact O-CD 3.35Å; E25-P27 VanDerWaalsContact O-N 3.08Å
26	V	59	Low	59.2	Low	28 Å²	28	88.9 Å²	88.9	17%	0.17	45%	0.454	C	S	.	.			trans	-61.4	110.7	171.7	-179.4	0	0	0	0	109	K31 Y112 L217	V26-K31 HydrophobicContact CG1-CD 4.31Å; V26-K31 HydrophobicContact CG1-CG 3.71Å; V26-K31 VanDerWaalsContact O-CE 3.25Å; V26-K31 WeakPolarHBondContact O-CE 3.31Å; V26-K31 PolarHBondContact O-NZ 3.13Å; V26-Y112 HydrophobicContact CB-CE2 4.42Å; V26-Y112 HydrophobicContact CG1-CD1 4.41Å; V26-Y112 HydrophobicContact CG1-CD2 4.42Å; V26-Y112 HydrophobicContact CG1-CE1 3.81Å; V26-Y112 HydrophobicContact CG1-CE2 3.84Å; V26-Y112 VanDerWaalsContact CG1-CZ 3.5Å; V26-Y112 HydrophobicContact CG2-CD2 4.29Å; V26-Y112 HydrophobicContact CG2-CE2 3.61Å; V26-L217 HydrophobicContact CG2-CD1 4.35Å; V26-L217 HydrophobicContact CG2-CD2 4.46Å
27	P	65.4	Low	61.7	Low	14 Å²	14	82.3 Å²	82.3	9%	0.091	43%	0.425	C	S	.	.			trans	-58.7	140.2	-175	-26.4	36.7	0	0	0	111.8	L23 E25 S29 L30 K31 I211 L213	L23-P27 HydrophobicContact CD1-CG 3.93Å; E25-P27 WeakPolarHBondContact O-CD 3.35Å; E25-P27 VanDerWaalsContact O-N 3.08Å; P27-S29 PolarHBondContact O-N 3.1Å; P27-S29 VanDerWaalsContact O-N 3.13Å; P27-L30 HydrophobicContact CB-CD1 4.35Å; P27-L30 HydrophobicContact CG-CD1 3.91Å; P27-L30 PolarHBondContact O-N 3.4Å; P27-K31 PolarHBondContact O-N 2.7Å; P27-K31 VanDerWaalsContact O-N 3.1Å; P27-I211 HydrophobicContact CG-CG2 3.93Å; P27-L213 VanDerWaalsContact CD-CD1 3.42Å; P27-L213 HydrophobicContact CG-CD1 3.78Å
28	A	68.4	Low	64.1	Low	79 Å²	79	73.8 Å²	73.8	65%	0.653	38%	0.384	S	S	*	.	H	α-helix	trans	-55.5	-32.9	178.5	0	0	0	0	0	112.2	K31 R32	A28-K31 PolarHBondContact O-N 2.84Å; A28-R32 WeakPolarHBondContact O-CB 3.18Å; A28-R32 PolarHBondContact O-N 3.15Å
29	S	70.1	Confident	66.4	Low	28 Å²	28	75.1 Å²	75.1	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-64	-41.4	176.3	-38.9	0	0	0	0	112.3	P27 R32 L33	P27-S29 PolarHBondContact O-N 3.1Å; P27-S29 VanDerWaalsContact O-N 3.13Å; S29-R32 PolarHBondContact O-N 3.29Å; S29-L33 WeakPolarHBondContact O-CB 3.41Å; S29-L33 PolarHBondContact O-N 2.9Å
30	L	75.6	Confident	68.4	Low	5 Å²	5	69 Å²	69	3%	0.026	37%	0.367	C	S	.	.	H	α-helix	trans	-69.4	-38.5	175.8	-83.7	165.3	0	0	0	111.7	P27 L33 A34 V116 T208 L213	P27-L30 HydrophobicContact CB-CD1 4.35Å; P27-L30 HydrophobicContact CG-CD1 3.91Å; P27-L30 PolarHBondContact O-N 3.4Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.17Å; L30-V116 HydrophobicContact CD2-CG2 3.66Å; L30-T208 HydrophobicContact CG-CG2 4.48Å; L30-L213 HydrophobicContact CD1-CD1 3.81Å; L30-L213 HydrophobicContact CD1-CD2 4.17Å; L30-L213 HydrophobicContact CD1-CG 4.45Å
31	K	81.1	Confident	70.6	Confident	72 Å²	72	70 Å²	70	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-42.7	172.2	-62.6	-179.7	-179.8	162.3	0	111.3	V26 P27 A28 K35 I54	V26-K31 HydrophobicContact CG1-CD 4.31Å; V26-K31 HydrophobicContact CG1-CG 3.71Å; V26-K31 VanDerWaalsContact O-CE 3.25Å; V26-K31 WeakPolarHBondContact O-CE 3.31Å; V26-K31 PolarHBondContact O-NZ 3.13Å; P27-K31 PolarHBondContact O-N 2.7Å; P27-K31 VanDerWaalsContact O-N 3.1Å; A28-K31 PolarHBondContact O-N 2.84Å; K31-K35 WeakPolarHBondContact O-CB 3.46Å; K31-K35 VanDerWaalsContact O-CG 3.27Å; K31-K35 WeakPolarHBondContact O-CG 3.32Å; K31-K35 PolarHBondContact O-N 2.87Å; K31-K35 VanDerWaalsContact O-N 3.1Å; K31-I54 HydrophobicContact CB-CG2 4.18Å; K31-I54 HydrophobicContact CD-CG2 3.9Å; K31-I54 HydrophobicContact CG-CG2 3.8Å
32	R	82.9	Confident	73	Confident	136 Å²	136	63.8 Å²	63.8	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-63	-43.5	176.8	-169.9	169.8	75.1	-175.8	-2.7	110.9	A28 S29 K35 Q36 L204 E207	A28-R32 WeakPolarHBondContact O-CB 3.18Å; A28-R32 PolarHBondContact O-N 3.15Å; S29-R32 PolarHBondContact O-N 3.29Å; R32-K35 PolarHBondContact O-N 3.22Å; R32-Q36 WeakPolarHBondContact O-CB 3.49Å; R32-Q36 PolarHBondContact O-N 3.08Å; R32-L204 HydrophobicContact CB-CD2 4.37Å; R32-L204 HydrophobicContact CG-CD2 4.07Å; R32-E207 IonicContact NH2-OE2 2.6Å; R32-E207 PolarHBondContact NH2-OE2 3.5Å; R32-E207 VanDerWaalsContact NH2-OE2 3.14Å
33	L	82.7	Confident	75.3	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-52	178.3	177.5	58.7	0	0	0	111.8	S29 L30 K35 Q36 V37 L204 L205	S29-L33 WeakPolarHBondContact O-CB 3.41Å; S29-L33 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3.33Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.84Å; L33-Q36 PolarHBondContact O-N 2.78Å; L33-Q36 VanDerWaalsContact O-N 3.14Å; L33-V37 HydrophobicContact CD1-CG2 3.88Å; L33-V37 HydrophobicContact CG-CG2 4.39Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.37Å; L33-L204 HydrophobicContact CB-CD2 3.93Å; L33-L204 HydrophobicContact CB-CG 4.23Å; L33-L204 HydrophobicContact CD1-CD2 4.06Å; L33-L204 HydrophobicContact CD1-CG 4.3Å; L33-L205 HydrophobicContact CD1-CD1 3.36Å; L33-L205 HydrophobicContact CD1-CG 4.35Å; L33-L205 HydrophobicContact CD2-CD1 4.1Å; L33-L205 HydrophobicContact CD2-CG 4.24Å; L33-L205 HydrophobicContact CG-CD1 4.37Å
34	A	82.8	Confident	77.5	Confident	2 Å²	2	63.1 Å²	63.1	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-42	179.6	0	0	0	0	0	111.7	L30 V38 L50 I54	L30-A34 WeakPolarHBondContact O-CB 3.25Å; L30-A34 PolarHBondContact O-N 3.17Å; A34-V38 WeakPolarHBondContact O-CG2 3.46Å; A34-V38 PolarHBondContact O-N 3.35Å; A34-L50 HydrophobicContact CB-CD2 4.11Å; A34-I54 HydrophobicContact CB-CD1 4.16Å
35	K	86	Confident	79.5	Confident	84 Å²	84	60.5 Å²	60.5	37%	0.365	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-43.6	175.8	-73.5	-179.7	-176.2	-170.4	0	113.1	K31 R32 L33 R39 D51 I54	K31-K35 WeakPolarHBondContact O-CB 3.46Å; K31-K35 VanDerWaalsContact O-CG 3.27Å; K31-K35 WeakPolarHBondContact O-CG 3.32Å; K31-K35 PolarHBondContact O-N 2.87Å; K31-K35 VanDerWaalsContact O-N 3.1Å; R32-K35 PolarHBondContact O-N 3.22Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.84Å; K35-R39 VanDerWaalsContact O-CB 3.3Å; K35-R39 WeakPolarHBondContact O-CB 3.49Å; K35-R39 VanDerWaalsContact O-CG 3.26Å; K35-R39 WeakPolarHBondContact O-CG 3.26Å; K35-R39 PolarHBondContact O-N 3.41Å; K35-D51 WeakPolarHBondContact CE-OD1 3.47Å; K35-D51 WeakPolarHBondContact CG-OD1 3.25Å; K35-D51 IonicContact NZ-OD1 3.47Å; K35-I54 HydrophobicContact CG-CD1 4Å
36	Q	84.3	Confident	81.3	Confident	71 Å²	71	54.7 Å²	54.7	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-68.7	-39.8	-178.6	-169.1	167.6	-8.6	0	0	111.6	R32 L33 G40 I201	R32-Q36 WeakPolarHBondContact O-CB 3.49Å; R32-Q36 PolarHBondContact O-N 3.08Å; L33-Q36 PolarHBondContact O-N 2.78Å; L33-Q36 VanDerWaalsContact O-N 3.14Å; Q36-G40 PolarHBondContact O-N 2.95Å; Q36-I201 HydrophobicContact CG-CG1 4.26Å
37	V	85.4	Confident	82.7	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-50.4	175.8	172.3	0	0	0	0	110.7	L33 R39 G40 F41 V119	L33-V37 HydrophobicContact CD1-CG2 3.88Å; L33-V37 HydrophobicContact CG-CG2 4.39Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.37Å; V37-R39 PolarHBondContact O-N 2.76Å; V37-G40 PolarHBondContact O-N 3.2Å; V37-F41 HydrophobicContact CG1-CD2 3.97Å; V37-F41 WeakPolarHBondContact O-CD2 3.45Å; V37-F41 PolarHBondContact O-N 3.37Å; V37-V119 HydrophobicContact CG1-CG2 4.13Å; V37-V119 HydrophobicContact CG2-CG1 4.17Å; V37-V119 HydrophobicContact CG2-CG2 4.42Å
38	V	85.6	Confident	83.7	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-34.5	-176	-178.2	0	0	0	0	112.5	A34 G40 Y42 H46 A47 L50	A34-V38 WeakPolarHBondContact O-CG2 3.46Å; A34-V38 PolarHBondContact O-N 3.35Å; V38-G40 VanDerWaalsContact C-N 3.35Å; V38-Y42 HydrophobicContact CG1-CD2 4.36Å; V38-Y42 HydrophobicContact CG1-CG 4.41Å; V38-Y42 HydrophobicContact CG2-CD2 4.42Å; V38-Y42 CarbonylContact O-C 3.57Å; V38-Y42 WeakPolarHBondContact O-CA 3.46Å; V38-Y42 WeakPolarHBondContact O-CB 3.26Å; V38-Y42 PolarHBondContact O-N 3.22Å; V38-H46 HydrophobicContact CG1-CB 4.03Å; V38-A47 VanDerWaalsContact CG1-CA 3.41Å; V38-A47 HydrophobicContact CG1-CB 3.95Å; V38-L50 HydrophobicContact CB-CD2 4.16Å; V38-L50 HydrophobicContact CG2-CD2 3.34Å; V38-L50 HydrophobicContact CG2-CG 4.48Å
39	R	86.4	Confident	84.6	Confident	164 Å²	164	53.1 Å²	53.1	62%	0.619	27%	0.272	S	S	*	.	H	α-helix	trans	-72.9	-25.4	174.2	-69.5	179.8	-177.5	-170.7	-0.6	113.9	K35 V37 A47 D51	K35-R39 VanDerWaalsContact O-CB 3.3Å; K35-R39 WeakPolarHBondContact O-CB 3.49Å; K35-R39 VanDerWaalsContact O-CG 3.26Å; K35-R39 WeakPolarHBondContact O-CG 3.26Å; K35-R39 PolarHBondContact O-N 3.41Å; V37-R39 PolarHBondContact O-N 2.76Å; R39-A47 HydrophobicContact CG-CB 3.97Å; R39-D51 IonicContact NH2-OD2 3.85Å; R39-D51 PolarHBondContact NH2-OD2 3.46Å; R39-D51 VanDerWaalsContact NH2-OD2 3.14Å
40	G	84.4	Confident	85.4	Confident	58 Å²	58	51.9 Å²	51.9	60%	0.598	26%	0.263	S	S	*	.	H	α-helix	trans	-84	-41.4	179.6	0	0	0	0	0	113.5	Q36 V37 V38	Q36-G40 PolarHBondContact O-N 2.95Å; V37-G40 PolarHBondContact O-N 3.2Å; V38-G40 VanDerWaalsContact C-N 3.35Å
41	F	83.9	Confident	85.8	Confident	92 Å²	92	53.4 Å²	53.4	40%	0.404	27%	0.271	S	S	.	.	H	α-helix	trans	-105.1	-24.1	-171.4	-65.5	-74.9	0	0	0	114.4	V37 L123 M126 I198 I201	V37-F41 HydrophobicContact CG1-CD2 3.97Å; V37-F41 WeakPolarHBondContact O-CD2 3.45Å; V37-F41 PolarHBondContact O-N 3.37Å; F41-L123 HydrophobicContact CZ-CD2 4.47Å; F41-M126 HydrophobicContact CE1-CE 3.99Å; F41-M126 HydrophobicContact CE1-SD 3.95Å; F41-M126 HydrophobicContact CZ-SD 4.4Å; F41-I198 HydrophobicContact CZ-CD1 4.17Å; F41-I201 HydrophobicContact CE2-CD1 4.23Å
42	Y	88.2	Confident	86	Confident	45 Å²	45	51.2 Å²	51.2	18%	0.176	26%	0.264	C	S	.	.	S	Bend	trans	-114.3	162.7	-176.1	-61.9	-98.8	0	0	0	111.6	V38 H46 T81 D85 F87	V38-Y42 HydrophobicContact CG1-CD2 4.36Å; V38-Y42 HydrophobicContact CG1-CG 4.41Å; V38-Y42 HydrophobicContact CG2-CD2 4.42Å; V38-Y42 CarbonylContact O-C 3.57Å; V38-Y42 WeakPolarHBondContact O-CA 3.46Å; V38-Y42 WeakPolarHBondContact O-CB 3.26Å; V38-Y42 PolarHBondContact O-N 3.22Å; Y42-H46 HydrophobicContact CD1-CB 4.41Å; Y42-H46 HydrophobicContact CG-CB 4.3Å; Y42-T81 HydrophobicContact CE1-CG2 4.27Å; Y42-D85 VanDerWaalsContact CE1-OD2 3.27Å; Y42-D85 WeakPolarHBondContact CE1-OD2 3.36Å; Y42-D85 PolarHBondContact OH-OD2 2.94Å; Y42-F87 AromaticContact CE2-CE2 3.59Å; Y42-F87 HydrophobicContact CE2-CE2 3.59Å; Y42-F87 HydrophobicContact CE2-CZ 4.25Å; Y42-F87 AromaticContact CZ-CE2 3.64Å; Y42-F87 VanDerWaalsContact OH-CE2 3.3Å; Y42-F87 WeakPolarHBondContact OH-CE2 3.01Å
43	G	88.6	Confident	86	Confident	41 Å²	41	44.9 Å²	44.9	42%	0.423	24%	0.24	S	C	.	.			trans	-66.5	162.5	173.9	0	0	0	0	0	112.7	E45 H46 A47	G43-E45 PolarHBondContact O-N 3.25Å; G43-E45 VanDerWaalsContact O-N 3.12Å; G43-H46 PolarHBondContact O-N 2.85Å; G43-A47 PolarHBondContact O-N 3.12Å
44	V	88.1	Confident	86	Confident	113 Å²	113	45.8 Å²	45.8	69%	0.685	25%	0.245	S	C	*	.	H	α-helix	trans	-55.7	-33.7	-178.3	-170.4	0	0	0	0	112.2	H46 A47 L48	V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 3.06Å; V44-A47 WeakPolarHBondContact O-CB 3.41Å; V44-A47 PolarHBondContact O-N 2.85Å; V44-L48 HydrophobicContact CG1-CD1 4.29Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.32Å
45	E	88.9	Confident	85.9	Confident	76 Å²	76	56 Å²	56	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-42.4	177.8	-59.2	175.1	-170.5	0	0	112.6	G43 A49 F70 Q74 V78	G43-E45 PolarHBondContact O-N 3.25Å; G43-E45 VanDerWaalsContact O-N 3.12Å; E45-A49 PolarHBondContact O-N 3.18Å; E45-A49 VanDerWaalsContact O-N 3.13Å; E45-F70 HydrophobicContact CB-CZ 4.44Å; E45-F70 HydrophobicContact CG-CZ 4.42Å; E45-Q74 PolarHBondContact OE1-NE2 2.86Å; E45-Q74 PolarHBondContact OE2-NE2 2.95Å; E45-V78 HydrophobicContact CB-CG2 4.03Å
46	H	88.8	Confident	85.4	Confident	28 Å²	28	52.7 Å²	52.7	13%	0.13	27%	0.27	C	S	.	.	H	α-helix	trans	-71.3	-36.4	178.4	-56.8	77.7	0	0	0	110.7	V38 Y42 G43 V44 A49 L50 V78 L82	V38-H46 HydrophobicContact CG1-CB 4.03Å; Y42-H46 HydrophobicContact CD1-CB 4.41Å; Y42-H46 HydrophobicContact CG-CB 4.3Å; G43-H46 PolarHBondContact O-N 2.85Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 3.06Å; H46-A49 PolarHBondContact O-N 3.47Å; H46-L50 PolarHBondContact O-N 2.85Å; H46-V78 HydrophobicContact CB-CG1 4.35Å; H46-L82 HydrophobicContact CB-CD2 4.45Å
47	A	88.3	Confident	84.7	Confident	9 Å²	9	52.7 Å²	52.7	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-42.5	176.6	0	0	0	0	0	111.9	V38 R39 G43 V44 L50 D51	V38-A47 VanDerWaalsContact CG1-CA 3.41Å; V38-A47 HydrophobicContact CG1-CB 3.95Å; R39-A47 HydrophobicContact CG-CB 3.97Å; G43-A47 PolarHBondContact O-N 3.12Å; V44-A47 WeakPolarHBondContact O-CB 3.41Å; V44-A47 PolarHBondContact O-N 2.85Å; A47-L50 PolarHBondContact O-N 2.76Å; A47-D51 WeakPolarHBondContact O-CB 3.35Å; A47-D51 PolarHBondContact O-N 3.32Å
48	L	87.5	Confident	83.8	Confident	80 Å²	80	52.8 Å²	52.8	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-45	176.7	-68.1	171.1	0	0	0	111.8	V44 L50 D51 V52 L68 F70	V44-L48 HydrophobicContact CG1-CD1 4.29Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.32Å; L48-L50 VanDerWaalsContact C-N 3.3Å; L48-L50 PolarHBondContact O-N 2.98Å; L48-D51 PolarHBondContact O-N 2.95Å; L48-V52 PolarHBondContact O-N 3.15Å; L48-V52 VanDerWaalsContact O-N 3.15Å; L48-L68 HydrophobicContact CB-CD2 3.79Å; L48-F70 HydrophobicContact CD1-CZ 4.18Å
49	A	86.6	Confident	83.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-43	177.1	0	0	0	0	0	111.5	E45 H46 V52 L53 M64 V78 L82	E45-A49 PolarHBondContact O-N 3.18Å; E45-A49 VanDerWaalsContact O-N 3.13Å; H46-A49 PolarHBondContact O-N 3.47Å; A49-V52 PolarHBondContact O-N 3.36Å; A49-L53 WeakPolarHBondContact O-CG 3.47Å; A49-L53 PolarHBondContact O-N 2.99Å; A49-M64 HydrophobicContact CB-CE 4.1Å; A49-M64 WeakPolarHBondContact O-CE 3.48Å; A49-V78 HydrophobicContact CB-CG1 4.01Å; A49-L82 HydrophobicContact CB-CD1 4.25Å
50	L	86.3	Confident	83.3	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-36.5	177.9	-160.8	74.9	0	0	0	112.6	A34 V38 H46 A47 L48 V52 L53 I54 I110	A34-L50 HydrophobicContact CB-CD2 4.11Å; V38-L50 HydrophobicContact CB-CD2 4.16Å; V38-L50 HydrophobicContact CG2-CD2 3.34Å; V38-L50 HydrophobicContact CG2-CG 4.48Å; H46-L50 PolarHBondContact O-N 2.85Å; A47-L50 PolarHBondContact O-N 2.76Å; L48-L50 VanDerWaalsContact C-N 3.3Å; L48-L50 PolarHBondContact O-N 2.98Å; L50-V52 PolarHBondContact O-N 2.97Å; L50-L53 HydrophobicContact CD1-CD1 4.32Å; L50-L53 CarbonylContact O-C 3.56Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L50-I54 HydrophobicContact CD2-CD1 4.21Å; L50-I54 HydrophobicContact CG-CD1 4.1Å; L50-I54 HydrophobicContact CG-CG1 4.34Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.3Å; L50-I54 PolarHBondContact O-N 3.12Å; L50-I110 HydrophobicContact CD1-CD1 3.59Å; L50-I110 HydrophobicContact CD1-CG1 4.02Å; L50-I110 HydrophobicContact CG-CD1 4.21Å
51	D	85.7	Confident	83.1	Confident	36 Å²	36	44.8 Å²	44.8	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-35.4	175.9	-85.6	-25	0	0	0	111.6	K35 R39 A47 L48 R55	K35-D51 WeakPolarHBondContact CE-OD1 3.47Å; K35-D51 WeakPolarHBondContact CG-OD1 3.25Å; K35-D51 IonicContact NZ-OD1 3.47Å; R39-D51 IonicContact NH2-OD2 3.85Å; R39-D51 PolarHBondContact NH2-OD2 3.46Å; R39-D51 VanDerWaalsContact NH2-OD2 3.14Å; A47-D51 WeakPolarHBondContact O-CB 3.35Å; A47-D51 PolarHBondContact O-N 3.32Å; L48-D51 PolarHBondContact O-N 2.95Å; D51-R55 PolarHBondContact O-N 3.07Å
52	V	84.9	Confident	82.9	Confident	27 Å²	27	44.3 Å²	44.3	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-46.5	172.6	174	0	0	0	0	111.4	L48 A49 L50 I54 R55 N56 M64 L67 L68	L48-V52 PolarHBondContact O-N 3.15Å; L48-V52 VanDerWaalsContact O-N 3.15Å; A49-V52 PolarHBondContact O-N 3.36Å; L50-V52 PolarHBondContact O-N 2.97Å; V52-I54 VanDerWaalsContact C-N 3.28Å; V52-I54 PolarHBondContact O-N 3.37Å; V52-R55 PolarHBondContact O-N 3.4Å; V52-R55 VanDerWaalsContact O-N 3.16Å; V52-N56 WeakPolarHBondContact O-CB 3.37Å; V52-N56 PolarHBondContact O-N 2.95Å; V52-M64 HydrophobicContact CB-CE 4.3Å; V52-M64 HydrophobicContact CG1-CE 4.3Å; V52-L67 HydrophobicContact CG1-CD1 4Å; V52-L68 HydrophobicContact CB-CD1 4.33Å; V52-L68 HydrophobicContact CG1-CD1 4.46Å; V52-L68 HydrophobicContact CG2-CD1 3.85Å; V52-L68 HydrophobicContact CG2-CD2 4.43Å; V52-L68 HydrophobicContact CG2-CG 4.17Å
53	L	82.6	Confident	82.6	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-25.8	178.2	-67.9	170.9	0	0	0	113.4	A49 L50 N56 V59 M64 V88 I110	A49-L53 WeakPolarHBondContact O-CG 3.47Å; A49-L53 PolarHBondContact O-N 2.99Å; L50-L53 HydrophobicContact CD1-CD1 4.32Å; L50-L53 CarbonylContact O-C 3.56Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L53-N56 CarbonylContact C-O 3.55Å; L53-N56 CarbonylContact O-C 3.59Å; L53-V59 HydrophobicContact CD2-CB 3.98Å; L53-V59 HydrophobicContact CD2-CG2 3.77Å; L53-M64 HydrophobicContact CD1-CE 4.31Å; L53-M64 HydrophobicContact CD2-CE 4.19Å; L53-M64 HydrophobicContact CD2-SD 4.03Å; L53-M64 HydrophobicContact CG-CE 3.87Å; L53-M64 HydrophobicContact CG-SD 4.33Å; L53-V88 HydrophobicContact CD1-CG1 4.43Å; L53-V88 HydrophobicContact CD1-CG2 3.85Å; L53-I110 HydrophobicContact CB-CD1 3.55Å; L53-I110 HydrophobicContact CB-CG1 3.91Å; L53-I110 HydrophobicContact CD1-CG1 4.42Å
54	I	82.8	Confident	82.2	Confident	19 Å²	19	40.9 Å²	40.9	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-74.2	-32.7	174.2	-70.3	164.9	0	0	0	111	K31 A34 K35 L50 V52 I110	K31-I54 HydrophobicContact CB-CG2 4.18Å; K31-I54 HydrophobicContact CD-CG2 3.9Å; K31-I54 HydrophobicContact CG-CG2 3.8Å; A34-I54 HydrophobicContact CB-CD1 4.16Å; K35-I54 HydrophobicContact CG-CD1 4Å; L50-I54 HydrophobicContact CD2-CD1 4.21Å; L50-I54 HydrophobicContact CG-CD1 4.1Å; L50-I54 HydrophobicContact CG-CG1 4.34Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.3Å; L50-I54 PolarHBondContact O-N 3.12Å; V52-I54 VanDerWaalsContact C-N 3.28Å; V52-I54 PolarHBondContact O-N 3.37Å; I54-I110 HydrophobicContact CG1-CD1 3.94Å
55	R	80.1	Confident	82	Confident	217 Å²	217	37.4 Å²	37.4	82%	0.819	18%	0.18	S	C	*	.	H	α-helix	trans	-79.7	-32	179.3	-151.3	176.1	-154.4	132.9	1.2	111.8	D51 V52	D51-R55 PolarHBondContact O-N 3.07Å; V52-R55 PolarHBondContact O-N 3.4Å; V52-R55 VanDerWaalsContact O-N 3.16Å
56	N	76	Confident	81.7	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.08	19%	0.193	C	C	.	.	S	Bend	trans	-125.6	107.5	-173.1	-60.6	-28.8	0	0	0	109.5	V52 L53 C58 V59 I225	V52-N56 WeakPolarHBondContact O-CB 3.37Å; V52-N56 PolarHBondContact O-N 2.95Å; L53-N56 CarbonylContact C-O 3.55Å; L53-N56 CarbonylContact O-C 3.59Å; N56-C58 VanDerWaalsContact C-N 3.34Å; N56-C58 PolarHBondContact O-N 3.15Å; N56-V59 HydrophobicContact CB-CG2 3.58Å; N56-V59 WeakPolarHBondContact O-CG2 3.3Å; N56-I225 HydrophobicContact CB-CB 4.4Å; N56-I225 HydrophobicContact CB-CD1 3.73Å; N56-I225 HydrophobicContact CB-CG1 3.81Å; N56-I225 HydrophobicContact CB-CG2 3.91Å; N56-I225 WeakPolarHBondContact ND2-CG2 3.39Å; N56-I225 WeakPolarHBondContact OD1-CG2 3.41Å
57	P	69.4	Low	81.3	Confident	70 Å²	70	42.8 Å²	42.8	46%	0.455	21%	0.207	S	C	.	.	S	Bend	trans	-66.4	-28.3	-168.5	21.9	-31.2	0	0	0	114.9
58	C	66.7	Low	80.8	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.061	21%	0.211	C	C	.	.	S	Bend	trans	-133.2	127.2	171.9	-173.6	0	0	0	0	109.3	N56 Y107 T223 I225	N56-C58 VanDerWaalsContact C-N 3.34Å; N56-C58 PolarHBondContact O-N 3.15Å; C58-Y107 VanDerWaalsContact SG-CD1 3.58Å; C58-T223 WeakPolarHBondContact CB-O 3.34Å; C58-I225 WeakPolarHBondContact O-CG1 3.44Å
59	V	79.4	Confident	80.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.8	-175.9	-170.5	0	0	0	0	110.7	L53 N56 D63 M64 Y108 I225	L53-V59 HydrophobicContact CD2-CB 3.98Å; L53-V59 HydrophobicContact CD2-CG2 3.77Å; N56-V59 HydrophobicContact CB-CG2 3.58Å; N56-V59 WeakPolarHBondContact O-CG2 3.3Å; V59-D63 HydrophobicContact CG1-CB 3.96Å; V59-M64 HydrophobicContact CB-CG 4.13Å; V59-M64 HydrophobicContact CG1-CB 4.41Å; V59-M64 HydrophobicContact CG1-CG 3.26Å; V59-M64 HydrophobicContact CG1-SD 4.29Å; V59-Y108 PolarHBondContact N-O 3.19Å; V59-Y108 PolarHBondContact O-N 3.24Å; V59-I225 HydrophobicContact CB-CD1 3.93Å; V59-I225 HydrophobicContact CG1-CD1 3.64Å; V59-I225 HydrophobicContact CG2-CD1 3.57Å; V59-I225 HydrophobicContact CG2-CG1 4.32Å
60	R	81.4	Confident	80.4	Confident	45 Å²	45	51.2 Å²	51.2	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	152	171.4	-61.5	178.3	-61.4	175.2	8.5	110.5	E62 D63 M64 Y107	R60-E62 VanDerWaalsContact C-N 3.3Å; R60-E62 PolarHBondContact O-N 3.5Å; R60-D63 HydrophobicContact CB-CB 4.23Å; R60-D63 WeakPolarHBondContact CB-OD2 3.48Å; R60-D63 IonicContact CZ-OD1 3.86Å; R60-D63 IonicContact CZ-OD2 3.2Å; R60-D63 IonicContact NE-OD1 3.52Å; R60-D63 PolarHBondContact NE-OD1 3.15Å; R60-D63 IonicContact NE-OD2 2.73Å; R60-D63 PolarHBondContact NE-OD2 3.11Å; R60-D63 IonicContact NH2-OD1 3.54Å; R60-D63 PolarHBondContact NH2-OD1 3.04Å; R60-D63 IonicContact NH2-OD2 3.08Å; R60-D63 PolarHBondContact NH2-OD2 3.22Å; R60-D63 WeakPolarHBondContact O-CB 3.49Å; R60-D63 PolarHBondContact O-N 2.93Å; R60-M64 PolarHBondContact O-N 3.41Å; R60-M64 VanDerWaalsContact O-N 3.15Å; R60-Y107 HydrophobicContact CG-CD1 3.74Å; R60-Y107 HydrophobicContact CG-CE1 3.25Å
61	E	80.7	Confident	80.6	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-56.3	-42.8	178	-166.7	174.5	150.6	0	0	112.9	M64 L65 R76 N106 Y108	E61-M64 PolarHBondContact O-N 3.49Å; E61-L65 PolarHBondContact O-N 3.04Å; E61-L65 VanDerWaalsContact O-N 3.14Å; E61-R76 IonicContact OE1-CZ 3.14Å; E61-R76 IonicContact OE1-NE 3.27Å; E61-R76 PolarHBondContact OE1-NE 3.16Å; E61-R76 IonicContact OE1-NH2 3.48Å; E61-R76 PolarHBondContact OE1-NH2 3.2Å; E61-R76 IonicContact OE2-NE 3.06Å; E61-R76 IonicContact OE2-NH2 3.3Å; E61-N106 PolarHBondContact N-O 3.39Å; E61-N106 PolarHBondContact OE2-ND2 2.69Å; E61-Y108 HydrophobicContact CB-CE2 4.05Å; E61-Y108 HydrophobicContact CG-CE2 4.23Å
62	E	81	Confident	80.5	Confident	82 Å²	82	60.3 Å²	60.3	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-34.6	-178.5	-57.7	-60.7	148	0	0	111.8	R60 L65 E66 R72	R60-E62 VanDerWaalsContact C-N 3.3Å; R60-E62 PolarHBondContact O-N 3.5Å; E62-L65 WeakPolarHBondContact O-CB 3.25Å; E62-L65 PolarHBondContact O-N 3Å; E62-E66 PolarHBondContact O-N 3.39Å; E62-R72 IonicContact OE1-CZ 3.55Å; E62-R72 IonicContact OE1-NE 2.75Å; E62-R72 IonicContact OE1-NH2 3.33Å; E62-R72 PolarHBondContact OE1-NH2 3.47Å
63	D	81.8	Confident	80.6	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-38.9	175.6	-68.7	-13.9	0	0	0	111.8	V59 R60 L65 L67 L228	V59-D63 HydrophobicContact CG1-CB 3.96Å; R60-D63 HydrophobicContact CB-CB 4.23Å; R60-D63 WeakPolarHBondContact CB-OD2 3.48Å; R60-D63 IonicContact CZ-OD1 3.86Å; R60-D63 IonicContact CZ-OD2 3.2Å; R60-D63 IonicContact NE-OD1 3.52Å; R60-D63 PolarHBondContact NE-OD1 3.15Å; R60-D63 IonicContact NE-OD2 2.73Å; R60-D63 PolarHBondContact NE-OD2 3.11Å; R60-D63 IonicContact NH2-OD1 3.54Å; R60-D63 PolarHBondContact NH2-OD1 3.04Å; R60-D63 IonicContact NH2-OD2 3.08Å; R60-D63 PolarHBondContact NH2-OD2 3.22Å; R60-D63 WeakPolarHBondContact O-CB 3.49Å; R60-D63 PolarHBondContact O-N 2.93Å; D63-L65 VanDerWaalsContact C-N 3.3Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 VanDerWaalsContact O-CG 3.24Å; D63-L67 WeakPolarHBondContact O-CG 3.43Å; D63-L67 PolarHBondContact O-N 3.37Å; D63-L228 HydrophobicContact CB-CD1 3.33Å; D63-L228 WeakPolarHBondContact OD2-CD1 3.07Å
64	M	79.6	Confident	80.9	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-36.5	172.6	-66.3	-158.9	81.2	0	0	111.5	A49 V52 L53 V59 R60 E61 L68 L75 L79	A49-M64 HydrophobicContact CB-CE 4.1Å; A49-M64 WeakPolarHBondContact O-CE 3.48Å; V52-M64 HydrophobicContact CB-CE 4.3Å; V52-M64 HydrophobicContact CG1-CE 4.3Å; L53-M64 HydrophobicContact CD1-CE 4.31Å; L53-M64 HydrophobicContact CD2-CE 4.19Å; L53-M64 HydrophobicContact CD2-SD 4.03Å; L53-M64 HydrophobicContact CG-CE 3.87Å; L53-M64 HydrophobicContact CG-SD 4.33Å; V59-M64 HydrophobicContact CB-CG 4.13Å; V59-M64 HydrophobicContact CG1-CB 4.41Å; V59-M64 HydrophobicContact CG1-CG 3.26Å; V59-M64 HydrophobicContact CG1-SD 4.29Å; R60-M64 PolarHBondContact O-N 3.41Å; R60-M64 VanDerWaalsContact O-N 3.15Å; E61-M64 PolarHBondContact O-N 3.49Å; M64-L68 HydrophobicContact CB-CD1 4.07Å; M64-L68 HydrophobicContact CE-CD1 4.01Å; M64-L68 WeakPolarHBondContact O-CB 3.2Å; M64-L68 WeakPolarHBondContact O-CD1 3.49Å; M64-L68 PolarHBondContact O-N 3.28Å; M64-L75 HydrophobicContact CB-CD1 4.38Å; M64-L75 HydrophobicContact CB-CD2 3.89Å; M64-L79 HydrophobicContact CE-CD2 4.5Å; M64-L79 HydrophobicContact SD-CD1 4.45Å; M64-L79 HydrophobicContact SD-CD2 3.9Å
65	L	83.1	Confident	81	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-43.7	178.7	-164.6	74.4	0	0	0	111.1	E61 E62 D63 K69 F70 R72 L75	E61-L65 PolarHBondContact O-N 3.04Å; E61-L65 VanDerWaalsContact O-N 3.14Å; E62-L65 WeakPolarHBondContact O-CB 3.25Å; E62-L65 PolarHBondContact O-N 3Å; D63-L65 VanDerWaalsContact C-N 3.3Å; L65-K69 VanDerWaalsContact O-CA 3.27Å; L65-K69 WeakPolarHBondContact O-CA 3.44Å; L65-K69 PolarHBondContact O-N 3.44Å; L65-F70 WeakPolarHBondContact CD1-O 3.47Å; L65-R72 HydrophobicContact CD1-CB 4.22Å; L65-L75 HydrophobicContact CB-CD2 3.97Å; L65-L75 HydrophobicContact CD1-CB 4.35Å; L65-L75 HydrophobicContact CD1-CD2 3.75Å
66	E	83.1	Confident	81.4	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	30%	0.295	S	S	*	.	H	α-helix	trans	-68.4	-43.9	179	-169.8	174.9	-169.1	0	0	112.2	E62 K69	E62-E66 PolarHBondContact O-N 3.39Å; E66-K69 WeakPolarHBondContact O-CG 3.18Å
67	L	79.6	Confident	82	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-43.5	-178.5	-73.2	172	0	0	0	113	V52 D63 L228	V52-L67 HydrophobicContact CG1-CD1 4Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 VanDerWaalsContact O-CG 3.24Å; D63-L67 WeakPolarHBondContact O-CG 3.43Å; D63-L67 PolarHBondContact O-N 3.37Å; L67-L228 HydrophobicContact CD1-CD1 4.37Å; L67-L228 HydrophobicContact CD2-CD2 4.31Å
68	L	78.9	Confident	83	Confident	28 Å²	28	63.4 Å²	63.4	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-88.6	-12.9	-177.9	-68.7	105.8	0	0	0	113.1	L48 V52 M64 F70	L48-L68 HydrophobicContact CB-CD2 3.79Å; V52-L68 HydrophobicContact CB-CD1 4.33Å; V52-L68 HydrophobicContact CG1-CD1 4.46Å; V52-L68 HydrophobicContact CG2-CD1 3.85Å; V52-L68 HydrophobicContact CG2-CD2 4.43Å; V52-L68 HydrophobicContact CG2-CG 4.17Å; M64-L68 HydrophobicContact CB-CD1 4.07Å; M64-L68 HydrophobicContact CE-CD1 4.01Å; M64-L68 WeakPolarHBondContact O-CB 3.2Å; M64-L68 WeakPolarHBondContact O-CD1 3.49Å; M64-L68 PolarHBondContact O-N 3.28Å; L68-F70 HydrophobicContact CB-CD2 3.45Å; L68-F70 VanDerWaalsContact CB-CD2 3.45Å; L68-F70 HydrophobicContact CB-CE2 3.84Å; L68-F70 HydrophobicContact CB-CG 4.09Å; L68-F70 HydrophobicContact CD2-CD2 3.78Å; L68-F70 HydrophobicContact CD2-CE2 3.36Å; L68-F70 HydrophobicContact CD2-CZ 4.32Å; L68-F70 HydrophobicContact CG-CD2 4.2Å; L68-F70 HydrophobicContact CG-CE2 4.22Å; L68-F70 PolarHBondContact O-N 3.44Å; L68-F70 VanDerWaalsContact O-N 3.14Å
69	K	83.9	Confident	83.9	Confident	189 Å²	189	63 Å²	63	82%	0.822	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	35.6	-173.9	-60.8	-166.3	175.4	-174.2	0	113.1	L65 E66	L65-K69 VanDerWaalsContact O-CA 3.27Å; L65-K69 WeakPolarHBondContact O-CA 3.44Å; L65-K69 PolarHBondContact O-N 3.44Å; E66-K69 WeakPolarHBondContact O-CG 3.18Å
70	F	81.7	Confident	84.4	Confident	48 Å²	48	67 Å²	67	21%	0.211	31%	0.314	C	S	.	.			trans	-81.7	163.1	177.1	-80.1	-42.6	0	0	0	111.9	E45 L48 L65 L68 L75	E45-F70 HydrophobicContact CB-CZ 4.44Å; E45-F70 HydrophobicContact CG-CZ 4.42Å; L48-F70 HydrophobicContact CD1-CZ 4.18Å; L65-F70 WeakPolarHBondContact CD1-O 3.47Å; L68-F70 HydrophobicContact CB-CD2 3.45Å; L68-F70 VanDerWaalsContact CB-CD2 3.45Å; L68-F70 HydrophobicContact CB-CE2 3.84Å; L68-F70 HydrophobicContact CB-CG 4.09Å; L68-F70 HydrophobicContact CD2-CD2 3.78Å; L68-F70 HydrophobicContact CD2-CE2 3.36Å; L68-F70 HydrophobicContact CD2-CZ 4.32Å; L68-F70 HydrophobicContact CG-CD2 4.2Å; L68-F70 HydrophobicContact CG-CE2 4.22Å; L68-F70 PolarHBondContact O-N 3.44Å; L68-F70 VanDerWaalsContact O-N 3.14Å; F70-L75 HydrophobicContact CB-CB 4.25Å; F70-L75 HydrophobicContact CD2-CD1 4.34Å
71	D	89.1	Confident	84.8	Confident	94 Å²	94	67.3 Å²	67.3	50%	0.503	32%	0.32	S	S	.	.			trans	-68.7	141.7	166.1	-175.9	71.3	0	0	0	110.4	K73 Q74 L75	D71-K73 PolarHBondContact O-N 3.49Å; D71-K73 VanDerWaalsContact OD2-CB 3.3Å; D71-K73 WeakPolarHBondContact OD2-CB 2.96Å; D71-K73 PolarHBondContact OD2-N 3.37Å; D71-Q74 HydrophobicContact CB-CB 4.21Å; D71-Q74 PolarHBondContact O-N 3.21Å; D71-Q74 VanDerWaalsContact O-N 3.13Å; D71-L75 PolarHBondContact O-N 3.07Å
72	R	84.4	Confident	85.1	Confident	136 Å²	136	66.7 Å²	66.7	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-35.6	-177.1	-164.1	177.2	-161.8	-167.8	9.9	112.4	E62 L65 R76	E62-R72 IonicContact OE1-CZ 3.55Å; E62-R72 IonicContact OE1-NE 2.75Å; E62-R72 IonicContact OE1-NH2 3.33Å; E62-R72 PolarHBondContact OE1-NH2 3.47Å; L65-R72 HydrophobicContact CD1-CB 4.22Å; R72-R76 WeakPolarHBondContact O-CB 3.42Å; R72-R76 PolarHBondContact O-N 3.02Å; R72-R76 VanDerWaalsContact O-N 3.17Å
73	K	88.1	Confident	85.4	Confident	174 Å²	174	67.5 Å²	67.5	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-73.9	-40.2	179.6	-61.9	178.6	-179.5	175.5	0	111.4	D71 R76 S77	D71-K73 PolarHBondContact O-N 3.49Å; D71-K73 VanDerWaalsContact OD2-CB 3.3Å; D71-K73 WeakPolarHBondContact OD2-CB 2.96Å; D71-K73 PolarHBondContact OD2-N 3.37Å; K73-R76 PolarHBondContact O-N 3.2Å; K73-S77 PolarHBondContact O-N 3.49Å
74	Q	87.3	Confident	85.7	Confident	67 Å²	67	70.6 Å²	70.6	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-48.7	178.6	-173.5	177.8	20.3	0	0	111	E45 D71 R76 S77 V78	E45-Q74 PolarHBondContact OE1-NE2 2.86Å; E45-Q74 PolarHBondContact OE2-NE2 2.95Å; D71-Q74 HydrophobicContact CB-CB 4.21Å; D71-Q74 PolarHBondContact O-N 3.21Å; D71-Q74 VanDerWaalsContact O-N 3.13Å; Q74-R76 VanDerWaalsContact C-N 3.31Å; Q74-R76 PolarHBondContact O-N 3.42Å; Q74-S77 WeakPolarHBondContact O-CB 3.38Å; Q74-S77 PolarHBondContact O-N 3.15Å; Q74-S77 VanDerWaalsContact O-N 3.12Å; Q74-V78 WeakPolarHBondContact O-CG2 3.48Å; Q74-V78 PolarHBondContact O-N 3.35Å
75	L	86.4	Confident	86	Confident	3 Å²	3	72.1 Å²	72.1	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-42.7	177.3	-178	64.3	0	0	0	111.3	M64 L65 F70 D71 S77 V78 L79	M64-L75 HydrophobicContact CB-CD1 4.38Å; M64-L75 HydrophobicContact CB-CD2 3.89Å; L65-L75 HydrophobicContact CB-CD2 3.97Å; L65-L75 HydrophobicContact CD1-CB 4.35Å; L65-L75 HydrophobicContact CD1-CD2 3.75Å; F70-L75 HydrophobicContact CB-CB 4.25Å; F70-L75 HydrophobicContact CD2-CD1 4.34Å; D71-L75 PolarHBondContact O-N 3.07Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 2.97Å; L75-V78 PolarHBondContact O-N 3.42Å; L75-L79 HydrophobicContact CD1-CD1 4.15Å; L75-L79 HydrophobicContact CD1-CG 4.22Å; L75-L79 HydrophobicContact CG-CD1 3.89Å; L75-L79 HydrophobicContact CG-CG 4.37Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 VanDerWaalsContact O-CG 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.4Å
76	R	86.9	Confident	86.1	Confident	96 Å²	96	76.8 Å²	76.8	36%	0.362	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-40.6	176.2	-169.5	73.2	68.4	86.9	-2.8	112.3	E61 R72 K73 Q74 N80	E61-R76 IonicContact OE1-CZ 3.14Å; E61-R76 IonicContact OE1-NE 3.27Å; E61-R76 PolarHBondContact OE1-NE 3.16Å; E61-R76 IonicContact OE1-NH2 3.48Å; E61-R76 PolarHBondContact OE1-NH2 3.2Å; E61-R76 IonicContact OE2-NE 3.06Å; E61-R76 IonicContact OE2-NH2 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.42Å; R72-R76 PolarHBondContact O-N 3.02Å; R72-R76 VanDerWaalsContact O-N 3.17Å; K73-R76 PolarHBondContact O-N 3.2Å; Q74-R76 VanDerWaalsContact C-N 3.31Å; Q74-R76 PolarHBondContact O-N 3.42Å; R76-N80 VanDerWaalsContact O-CB 3.31Å; R76-N80 WeakPolarHBondContact O-CB 3.42Å; R76-N80 PolarHBondContact O-N 3.23Å; R76-N80 PolarHBondContact O-ND2 3.02Å
77	S	90	Very high	86	Confident	72 Å²	72	70.4 Å²	70.4	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-48.9	176.4	-170.2	0	0	0	0	111.5	K73 Q74 L75 L79 N80 T81	K73-S77 PolarHBondContact O-N 3.49Å; Q74-S77 WeakPolarHBondContact O-CB 3.38Å; Q74-S77 PolarHBondContact O-N 3.15Å; Q74-S77 VanDerWaalsContact O-N 3.12Å; L75-S77 VanDerWaalsContact C-N 3.33Å; L75-S77 PolarHBondContact O-N 2.97Å; S77-L79 PolarHBondContact O-N 3.35Å; S77-N80 PolarHBondContact O-N 3.47Å; S77-T81 PolarHBondContact O-N 3.27Å; S77-T81 PolarHBondContact O-OG1 3.22Å; S77-T81 VanDerWaalsContact O-OG1 3.12Å
78	V	89.3	Confident	86.3	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-46.5	177.9	172.2	0	0	0	0	111.2	E45 H46 A49 Q74 L75 N80 T81 L82	E45-V78 HydrophobicContact CB-CG2 4.03Å; H46-V78 HydrophobicContact CB-CG1 4.35Å; A49-V78 HydrophobicContact CB-CG1 4.01Å; Q74-V78 WeakPolarHBondContact O-CG2 3.48Å; Q74-V78 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.42Å; V78-N80 PolarHBondContact O-N 3.1Å; V78-T81 PolarHBondContact O-N 3.01Å; V78-L82 HydrophobicContact CG1-CD1 4.23Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 2.99Å
79	L	86.4	Confident	86.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-36.9	177.9	-69.7	173.3	0	0	0	112.5	M64 L75 S77 L82 K83 Y108	M64-L79 HydrophobicContact CE-CD2 4.5Å; M64-L79 HydrophobicContact SD-CD1 4.45Å; M64-L79 HydrophobicContact SD-CD2 3.9Å; L75-L79 HydrophobicContact CD1-CD1 4.15Å; L75-L79 HydrophobicContact CD1-CG 4.22Å; L75-L79 HydrophobicContact CG-CD1 3.89Å; L75-L79 HydrophobicContact CG-CG 4.37Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 VanDerWaalsContact O-CG 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.4Å; S77-L79 PolarHBondContact O-N 3.35Å; L79-L82 PolarHBondContact O-N 2.98Å; L79-K83 VanDerWaalsContact O-CB 3.23Å; L79-K83 WeakPolarHBondContact O-CB 3.46Å; L79-K83 PolarHBondContact O-N 3.16Å; L79-Y108 HydrophobicContact CB-CE1 4.35Å; L79-Y108 HydrophobicContact CD1-CD2 4.28Å; L79-Y108 HydrophobicContact CD1-CE1 4.44Å; L79-Y108 HydrophobicContact CD1-CE2 3.76Å
80	N	89.8	Confident	86.3	Confident	84 Å²	84	62.1 Å²	62.1	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-38.7	175.3	-78.3	-21.9	0	0	0	112.1	R76 S77 V78 K83 A84	R76-N80 VanDerWaalsContact O-CB 3.31Å; R76-N80 WeakPolarHBondContact O-CB 3.42Å; R76-N80 PolarHBondContact O-N 3.23Å; R76-N80 PolarHBondContact O-ND2 3.02Å; S77-N80 PolarHBondContact O-N 3.47Å; V78-N80 PolarHBondContact O-N 3.1Å; N80-K83 PolarHBondContact O-N 3.1Å; N80-A84 WeakPolarHBondContact O-CB 3.39Å; N80-A84 PolarHBondContact O-N 2.82Å
81	T	90.3	Very high	86.1	Confident	51 Å²	51	65 Å²	65	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-48.4	173.6	-55.4	0	0	0	0	110.9	Y42 S77 V78 K83 A84 D85	Y42-T81 HydrophobicContact CE1-CG2 4.27Å; S77-T81 PolarHBondContact O-N 3.27Å; S77-T81 PolarHBondContact O-OG1 3.22Å; S77-T81 VanDerWaalsContact O-OG1 3.12Å; V78-T81 PolarHBondContact O-N 3.01Å; T81-K83 VanDerWaalsContact C-N 3.26Å; T81-K83 PolarHBondContact O-N 3.33Å; T81-A84 PolarHBondContact O-N 3.4Å; T81-A84 VanDerWaalsContact O-N 3.15Å; T81-D85 PolarHBondContact O-N 3.43Å
82	L	86.9	Confident	85.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-32.3	177.6	-67.3	174.7	0	0	0	112.8	H46 A49 V78 L79 K86 F87 V88	H46-L82 HydrophobicContact CB-CD2 4.45Å; A49-L82 HydrophobicContact CB-CD1 4.25Å; V78-L82 HydrophobicContact CG1-CD1 4.23Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 2.99Å; L79-L82 PolarHBondContact O-N 2.98Å; L82-K86 PolarHBondContact O-N 3.29Å; L82-F87 HydrophobicContact CD2-CD2 4.08Å; L82-F87 PolarHBondContact O-N 2.95Å; L82-F87 VanDerWaalsContact O-N 3.09Å; L82-V88 HydrophobicContact CB-CG2 4.05Å; L82-V88 PolarHBondContact O-N 3Å
83	K	87.6	Confident	85	Confident	100 Å²	100	64.3 Å²	64.3	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-71.5	-41.9	173.1	-175.9	179	179.3	176.4	0	111.8	L79 N80 T81 D85 K86 C90	L79-K83 VanDerWaalsContact O-CB 3.23Å; L79-K83 WeakPolarHBondContact O-CB 3.46Å; L79-K83 PolarHBondContact O-N 3.16Å; N80-K83 PolarHBondContact O-N 3.1Å; T81-K83 VanDerWaalsContact C-N 3.26Å; T81-K83 PolarHBondContact O-N 3.33Å; K83-D85 VanDerWaalsContact C-N 3.31Å; K83-D85 PolarHBondContact O-N 2.95Å; K83-K86 PolarHBondContact O-N 3.35Å; K83-C90 HydrophobicContact CD-CB 4.15Å
84	A	88.1	Confident	84.3	Confident	77 Å²	77	59.8 Å²	59.8	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-38.8	178.1	0	0	0	0	0	111.7	N80 T81 K86	N80-A84 WeakPolarHBondContact O-CB 3.39Å; N80-A84 PolarHBondContact O-N 2.82Å; T81-A84 PolarHBondContact O-N 3.4Å; T81-A84 VanDerWaalsContact O-N 3.15Å; A84-K86 PolarHBondContact O-N 3.46Å
85	D	86.1	Confident	83.5	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.171	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.3	174.4	-75.4	-44.6	0	0	0	113.9	Y42 T81 K83 F87 K122	Y42-D85 VanDerWaalsContact CE1-OD2 3.27Å; Y42-D85 WeakPolarHBondContact CE1-OD2 3.36Å; Y42-D85 PolarHBondContact OH-OD2 2.94Å; T81-D85 PolarHBondContact O-N 3.43Å; K83-D85 VanDerWaalsContact C-N 3.31Å; K83-D85 PolarHBondContact O-N 2.95Å; D85-F87 HydrophobicContact CB-CD2 4.29Å; D85-F87 HydrophobicContact CB-CE2 4.34Å; D85-F87 HydrophobicContact CB-CG 4.41Å; D85-F87 HydrophobicContact CB-CZ 4.5Å; D85-F87 PolarHBondContact O-N 2.9Å; D85-K122 IonicContact OD1-NZ 3.91Å; D85-K122 PolarHBondContact OD1-NZ 2.95Å
86	K	84.4	Confident	82.5	Confident	138 Å²	138	65 Å²	65	60%	0.6	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.9	178.8	-51.8	-176.9	178.2	-175.3	0	114.3	L82 K83 A84 V114 V118	L82-K86 PolarHBondContact O-N 3.29Å; K83-K86 PolarHBondContact O-N 3.35Å; A84-K86 PolarHBondContact O-N 3.46Å; K86-V114 HydrophobicContact CB-CG1 3.8Å; K86-V114 WeakPolarHBondContact O-CG1 3.17Å; K86-V118 HydrophobicContact CB-CG2 4.19Å
87	F	81.7	Confident	81.4	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.013	33%	0.326	C	S	.	.	S	Bend	trans	-76.1	-33	172.5	-67.2	-17.2	0	0	0	111.9	Y42 L82 D85 L115 V118 V119	Y42-F87 AromaticContact CE2-CE2 3.59Å; Y42-F87 HydrophobicContact CE2-CE2 3.59Å; Y42-F87 HydrophobicContact CE2-CZ 4.25Å; Y42-F87 AromaticContact CZ-CE2 3.64Å; Y42-F87 VanDerWaalsContact OH-CE2 3.3Å; Y42-F87 WeakPolarHBondContact OH-CE2 3.01Å; L82-F87 HydrophobicContact CD2-CD2 4.08Å; L82-F87 PolarHBondContact O-N 2.95Å; L82-F87 VanDerWaalsContact O-N 3.09Å; D85-F87 HydrophobicContact CB-CD2 4.29Å; D85-F87 HydrophobicContact CB-CE2 4.34Å; D85-F87 HydrophobicContact CB-CG 4.41Å; D85-F87 HydrophobicContact CB-CZ 4.5Å; D85-F87 PolarHBondContact O-N 2.9Å; F87-L115 HydrophobicContact CB-CD1 4.15Å; F87-L115 HydrophobicContact CD1-CB 4.31Å; F87-L115 HydrophobicContact CD1-CD1 4.02Å; F87-L115 HydrophobicContact CD1-CG 3.84Å; F87-L115 HydrophobicContact CE1-CG 4.18Å; F87-L115 HydrophobicContact CG-CD1 4.1Å; F87-L115 HydrophobicContact CG-CG 4.43Å; F87-V118 HydrophobicContact CE1-CB 4.2Å; F87-V118 HydrophobicContact CE1-CG1 3.89Å; F87-V119 HydrophobicContact CE1-CG2 4.14Å; F87-V119 HydrophobicContact CZ-CG2 4.32Å
88	V	84.3	Confident	79.9	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.8	-177.7	-174.7	0	0	0	0	109.3	L53 L82 Y108 F109	L53-V88 HydrophobicContact CD1-CG1 4.43Å; L53-V88 HydrophobicContact CD1-CG2 3.85Å; L82-V88 HydrophobicContact CB-CG2 4.05Å; L82-V88 PolarHBondContact O-N 3Å; V88-Y108 HydrophobicContact CG1-CD1 3.77Å; V88-Y108 HydrophobicContact CG1-CG 4.22Å; V88-F109 WeakPolarHBondContact CA-O 3.43Å; V88-F109 WeakPolarHBondContact CG1-O 3.04Å
89	K	82.4	Confident	78.7	Confident	82 Å²	82	69.9 Å²	69.9	36%	0.357	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.6	168.2	-74.9	-174.4	-179.9	180	0	109.1	F109 N111	K89-F109 HydrophobicContact CB-CD1 4.26Å; K89-F109 HydrophobicContact CB-CD2 4.32Å; K89-F109 HydrophobicContact CB-CE1 3.68Å; K89-F109 HydrophobicContact CB-CE2 3.77Å; K89-F109 HydrophobicContact CB-CZ 3.42Å; K89-F109 VanDerWaalsContact CB-CZ 3.42Å; K89-F109 HydrophobicContact CD-CE2 3.87Å; K89-F109 HydrophobicContact CD-CZ 3.75Å; K89-F109 HydrophobicContact CG-CE2 4.33Å; K89-F109 HydrophobicContact CG-CZ 4.21Å; K89-F109 PolarHBondContact N-O 2.82Å; K89-F109 PolarHBondContact O-N 3.15Å; K89-N111 HydrophobicContact CD-CB 4.46Å
90	C	80.9	Confident	77.7	Confident	38 Å²	38	72.7 Å²	72.7	26%	0.257	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.2	178.5	179.5	0	0	0	0	108.1	K83 Y107 Y108	K83-C90 HydrophobicContact CD-CB 4.15Å; C90-Y107 WeakPolarHBondContact CA-O 3.32Å; C90-Y108 HydrophobicContact CB-CD1 4.12Å; C90-Y108 HydrophobicContact CB-CE1 3.89Å
91	R	78.2	Confident	76.9	Confident	108 Å²	108	75.1 Å²	75.1	41%	0.408	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.1	171	-169.2	-174.9	-172.5	-170.3	6	108.1	R93 Y107 F109	R91-R93 VanDerWaalsContact NH1-NH2 3.11Å; R91-R93 VanDerWaalsContact NH2-NH2 3.13Å; R91-Y107 PolarHBondContact N-O 3.03Å; R91-Y107 PolarHBondContact O-N 3.31Å; R91-F109 HydrophobicContact CB-CE1 4.35Å
92	M	77.4	Confident	76	Confident	109 Å²	109	77.4 Å²	77.4	54%	0.537	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.9	171.9	-172.2	176.8	68.7	0	0	108	R104 H105	M92-R104 HydrophobicContact CG-CB 4.3Å; M92-R104 HydrophobicContact SD-CB 4.24Å; M92-R104 HydrophobicContact SD-CG 4.25Å; M92-H105 WeakPolarHBondContact CA-O 3.47Å
93	R	73.3	Confident	75.3	Confident	108 Å²	108	79.7 Å²	79.7	41%	0.408	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.5	167.9	-80	-90	-166.4	165.3	5.1	107.2	R91 H105 Y107	R91-R93 VanDerWaalsContact NH1-NH2 3.11Å; R91-R93 VanDerWaalsContact NH2-NH2 3.13Å; R93-H105 PolarHBondContact N-O 3.25Å; R93-H105 PolarHBondContact O-N 2.85Å; R93-Y107 HydrophobicContact CB-CD2 4.03Å; R93-Y107 HydrophobicContact CB-CE2 3.83Å; R93-Y107 HydrophobicContact CG-CD2 4.17Å; R93-Y107 HydrophobicContact CG-CE2 4.2Å
94	V	73.6	Confident	74.9	Confident	78 Å²	78	83.6 Å²	83.6	47%	0.473	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.5	175.7	-170.4	0	0	0	0	105.9	T102 R104	V94-T102 HydrophobicContact CG1-CG2 3.07Å; V94-R104 HydrophobicContact CG1-CG 4.48Å; V94-R104 HydrophobicContact CG2-CG 4.17Å
95	E	69.8	Low	74.5	Confident	74 Å²	74	82 Å²	82	35%	0.346	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	175.1	-73.1	168.6	-158.1	0	0	107.2	A97 T103 H105 Y107	E95-A97 PolarHBondContact O-N 2.74Å; E95-T103 PolarHBondContact N-O 2.69Å; E95-T103 PolarHBondContact O-N 2.97Å; E95-T103 VanDerWaalsContact O-O 3.05Å; E95-T103 PolarHBondContact O-OG1 3.45Å; E95-H105 IonicContact OE2-ND1 3.87Å; E95-Y107 PolarHBondContact OE1-OH 3.31Å
96	T	64.8	Low	74.4	Confident	106 Å²	106	82.1 Å²	82.1	65%	0.65	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	104	170.3	-54.1	0	0	0	0	106.8
97	A	63.4	Low	74.4	Confident	28 Å²	28	76.8 Å²	76.8	23%	0.231	40%	0.403	C	S	.	.			trans	-61.8	156.9	174.1	0	0	0	0	0	109.9	E95 D99 G100 K101 T103	E95-A97 PolarHBondContact O-N 2.74Å; A97-D99 PolarHBondContact O-N 3.18Å; A97-G100 PolarHBondContact O-N 3.24Å; A97-K101 PolarHBondContact N-O 3.34Å; A97-T103 HydrophobicContact CB-CG2 4.37Å
98	P	59.9	Low	74.5	Confident	136 Å²	136	76.9 Å²	76.9	88%	0.883	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-9.3	177.4	24.8	-35.4	0	0	0	114.3	G100	P98-G100 VanDerWaalsContact C-N 3.35Å
99	D	63.9	Low	74.4	Confident	111 Å²	111	77.9 Å²	77.9	59%	0.594	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	12.1	175.9	-167.1	39.5	0	0	0	113	A97 K101	A97-D99 PolarHBondContact O-N 3.18Å; D99-K101 PolarHBondContact O-N 3.41Å; D99-K101 IonicContact OD2-NZ 3.56Å; D99-K101 PolarHBondContact OD2-NZ 3.32Å
100	G	64.4	Low	74.5	Confident	60 Å²	60	74.4 Å²	74.4	62%	0.619	39%	0.393	S	S	*	.	S	Bend	trans	67.5	0.3	179.9	0	0	0	0	0	115	A97 P98	A97-G100 PolarHBondContact O-N 3.24Å; P98-G100 VanDerWaalsContact C-N 3.35Å
101	K	74.3	Confident	74.4	Confident	134 Å²	134	72.7 Å²	72.7	58%	0.583	38%	0.381	S	S	*	.			trans	-86	120.3	174.4	-68.6	178	-172	125.3	0	109.8	A97 D99 T103	A97-K101 PolarHBondContact N-O 3.34Å; D99-K101 PolarHBondContact O-N 3.41Å; D99-K101 IonicContact OD2-NZ 3.56Å; D99-K101 PolarHBondContact OD2-NZ 3.32Å; K101-T103 PolarHBondContact O-N 3.4Å
102	T	70.6	Confident	74.3	Confident	99 Å²	99	68.3 Å²	68.3	61%	0.607	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	97.1	172.3	-48.9	0	0	0	0	110.1	V94	V94-T102 HydrophobicContact CG1-CG2 3.07Å
103	T	72.5	Confident	74.2	Confident	48 Å²	48	66.6 Å²	66.6	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.8	178.3	49.6	0	0	0	0	110.6	E95 A97 K101 H105	E95-T103 PolarHBondContact N-O 2.69Å; E95-T103 PolarHBondContact O-N 2.97Å; E95-T103 VanDerWaalsContact O-O 3.05Å; E95-T103 PolarHBondContact O-OG1 3.45Å; A97-T103 HydrophobicContact CB-CG2 4.37Å; K101-T103 PolarHBondContact O-N 3.4Å; T103-H105 PolarHBondContact OG1-CE1 3.32Å
104	R	78.3	Confident	74.6	Confident	182 Å²	182	63.5 Å²	63.5	69%	0.687	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.1	175.8	-67.8	-175.4	-88.9	-173.9	-7.2	108.8	M92 V94	M92-R104 HydrophobicContact CG-CB 4.3Å; M92-R104 HydrophobicContact SD-CB 4.24Å; M92-R104 HydrophobicContact SD-CG 4.25Å; V94-R104 HydrophobicContact CG1-CG 4.48Å; V94-R104 HydrophobicContact CG2-CG 4.17Å
105	H	80.6	Confident	75	Confident	44 Å²	44	60 Å²	60	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.2	175	-69.1	104.2	0	0	0	110.3	M92 R93 E95 T103 Y107	M92-H105 WeakPolarHBondContact CA-O 3.47Å; R93-H105 PolarHBondContact N-O 3.25Å; R93-H105 PolarHBondContact O-N 2.85Å; E95-H105 IonicContact OE2-ND1 3.87Å; T103-H105 PolarHBondContact OG1-CE1 3.32Å; H105-Y107 HydrophobicContact CB-CD2 4.49Å; H105-Y107 HydrophobicContact CB-CE2 3.94Å
106	N	84.3	Confident	75.6	Confident	35 Å²	35	57.6 Å²	57.6	19%	0.187	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115	172.8	-63.1	-46.1	0	0	0	108.7	E61 Y108	E61-N106 PolarHBondContact N-O 3.39Å; E61-N106 PolarHBondContact OE2-ND2 2.69Å; N106-Y108 HydrophobicContact CB-CE2 3.87Å
107	Y	83.2	Confident	76.5	Confident	26 Å²	26	57.4 Å²	57.4	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.5	171.8	-69.8	-86	0	0	0	109.5	C58 R60 C90 R91 R93 E95 H105 P222	C58-Y107 VanDerWaalsContact SG-CD1 3.58Å; R60-Y107 HydrophobicContact CG-CD1 3.74Å; R60-Y107 HydrophobicContact CG-CE1 3.25Å; C90-Y107 WeakPolarHBondContact CA-O 3.32Å; R91-Y107 PolarHBondContact N-O 3.03Å; R91-Y107 PolarHBondContact O-N 3.31Å; R93-Y107 HydrophobicContact CB-CD2 4.03Å; R93-Y107 HydrophobicContact CB-CE2 3.83Å; R93-Y107 HydrophobicContact CG-CD2 4.17Å; R93-Y107 HydrophobicContact CG-CE2 4.2Å; E95-Y107 PolarHBondContact OE1-OH 3.31Å; H105-Y107 HydrophobicContact CB-CD2 4.49Å; H105-Y107 HydrophobicContact CB-CE2 3.94Å; Y107-P222 HydrophobicContact CD1-CB 4.49Å
108	Y	84.9	Confident	77.6	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.02	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.3	178.5	-65.3	-80.8	0	0	0	110.1	V59 E61 L79 V88 C90 N106	V59-Y108 PolarHBondContact N-O 3.19Å; V59-Y108 PolarHBondContact O-N 3.24Å; E61-Y108 HydrophobicContact CB-CE2 4.05Å; E61-Y108 HydrophobicContact CG-CE2 4.23Å; L79-Y108 HydrophobicContact CB-CE1 4.35Å; L79-Y108 HydrophobicContact CD1-CD2 4.28Å; L79-Y108 HydrophobicContact CD1-CE1 4.44Å; L79-Y108 HydrophobicContact CD1-CE2 3.76Å; V88-Y108 HydrophobicContact CG1-CD1 3.77Å; V88-Y108 HydrophobicContact CG1-CG 4.22Å; C90-Y108 HydrophobicContact CB-CD1 4.12Å; C90-Y108 HydrophobicContact CB-CE1 3.89Å; N106-Y108 HydrophobicContact CB-CE2 3.87Å
109	F	82.2	Confident	78.7	Confident	25 Å²	25	51.1 Å²	51.1	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149	175.7	64.9	-85.4	0	0	0	111.3	V88 K89 R91 P220	V88-F109 WeakPolarHBondContact CA-O 3.43Å; V88-F109 WeakPolarHBondContact CG1-O 3.04Å; K89-F109 HydrophobicContact CB-CD1 4.26Å; K89-F109 HydrophobicContact CB-CD2 4.32Å; K89-F109 HydrophobicContact CB-CE1 3.68Å; K89-F109 HydrophobicContact CB-CE2 3.77Å; K89-F109 HydrophobicContact CB-CZ 3.42Å; K89-F109 VanDerWaalsContact CB-CZ 3.42Å; K89-F109 HydrophobicContact CD-CE2 3.87Å; K89-F109 HydrophobicContact CD-CZ 3.75Å; K89-F109 HydrophobicContact CG-CE2 4.33Å; K89-F109 HydrophobicContact CG-CZ 4.21Å; K89-F109 PolarHBondContact N-O 2.82Å; K89-F109 PolarHBondContact O-N 3.15Å; R91-F109 HydrophobicContact CB-CE1 4.35Å; F109-P220 HydrophobicContact CB-CG 4.43Å; F109-P220 HydrophobicContact CD2-CG 4.21Å
110	I	83.3	Confident	79.7	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.046	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.1	179.1	-60.1	170.5	0	0	0	109.2	L50 L53 I54 Y112 L115	L50-I110 HydrophobicContact CD1-CD1 3.59Å; L50-I110 HydrophobicContact CD1-CG1 4.02Å; L50-I110 HydrophobicContact CG-CD1 4.21Å; L53-I110 HydrophobicContact CB-CD1 3.55Å; L53-I110 HydrophobicContact CB-CG1 3.91Å; L53-I110 HydrophobicContact CD1-CG1 4.42Å; I54-I110 HydrophobicContact CG1-CD1 3.94Å; I110-Y112 HydrophobicContact CB-CE2 4.16Å; I110-Y112 HydrophobicContact CG2-CD1 4Å; I110-Y112 HydrophobicContact CG2-CD2 4.2Å; I110-Y112 HydrophobicContact CG2-CE1 3.81Å; I110-Y112 HydrophobicContact CG2-CE2 4.01Å; I110-Y112 HydrophobicContact CG2-CG 4.18Å; I110-L115 HydrophobicContact CG2-CD1 4.19Å
111	N	80.1	Confident	80.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.247	C	C	.	.			trans	-98.7	99.7	169.9	-172.3	-53.4	0	0	0	109.6	K89 R113 V114 L115 L218	K89-N111 HydrophobicContact CD-CB 4.46Å; N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 2.96Å; N111-R113 PolarHBondContact OD1-N 3.2Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.43Å; N111-V114 PolarHBondContact O-N 3.28Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.48Å; N111-V114 PolarHBondContact OD1-N 3.17Å; N111-L115 WeakPolarHBondContact O-CB 2.84Å; N111-L115 PolarHBondContact O-N 3.14Å; N111-L218 WeakPolarHBondContact ND2-CD1 3.41Å; N111-L218 WeakPolarHBondContact ND2-CG 3.31Å; N111-L218 PolarHBondContact ND2-O 2.76Å; N111-L218 VanDerWaalsContact OD1-CD1 3.24Å; N111-L218 WeakPolarHBondContact OD1-CD1 3.21Å
112	Y	75.4	Confident	81.4	Confident	16 Å²	16	50.2 Å²	50.2	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-29.2	-175	-67.2	-81.4	0	0	0	113.4	V26 I110 V116 L213	V26-Y112 HydrophobicContact CB-CE2 4.42Å; V26-Y112 HydrophobicContact CG1-CD1 4.41Å; V26-Y112 HydrophobicContact CG1-CD2 4.42Å; V26-Y112 HydrophobicContact CG1-CE1 3.81Å; V26-Y112 HydrophobicContact CG1-CE2 3.84Å; V26-Y112 VanDerWaalsContact CG1-CZ 3.5Å; V26-Y112 HydrophobicContact CG2-CD2 4.29Å; V26-Y112 HydrophobicContact CG2-CE2 3.61Å; I110-Y112 HydrophobicContact CB-CE2 4.16Å; I110-Y112 HydrophobicContact CG2-CD1 4Å; I110-Y112 HydrophobicContact CG2-CD2 4.2Å; I110-Y112 HydrophobicContact CG2-CE1 3.81Å; I110-Y112 HydrophobicContact CG2-CE2 4.01Å; I110-Y112 HydrophobicContact CG2-CG 4.18Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 3.34Å; Y112-L213 HydrophobicContact CD2-CD2 4.23Å; Y112-L213 HydrophobicContact CG-CD2 4.13Å
113	R	75.2	Confident	82	Confident	73 Å²	73	45.9 Å²	45.9	28%	0.275	21%	0.209	S	C	.	.	H	α-helix	trans	-66.8	-47.4	176.2	-68	-155.8	179.2	148	-19	111.9	N111 L115 N117 L213 H215 L218	N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 2.96Å; N111-R113 PolarHBondContact OD1-N 3.2Å; R113-L115 VanDerWaalsContact C-N 3.33Å; R113-N117 PolarHBondContact O-N 3.47Å; R113-N117 PolarHBondContact O-ND2 3.43Å; R113-L213 PolarHBondContact NE-O 3.32Å; R113-L213 PolarHBondContact NH2-O 2.85Å; R113-H215 PolarHBondContact NH1-CD2 3.2Å; R113-L218 HydrophobicContact CB-CD1 3.61Å; R113-L218 HydrophobicContact CG-CD1 3.64Å
114	V	81.7	Confident	82.4	Confident	43 Å²	43	45.6 Å²	45.6	26%	0.261	21%	0.206	S	C	.	.	H	α-helix	trans	-66.4	-40.6	178.1	178.8	0	0	0	0	110.1	K86 N111 V116 N117 V118	K86-V114 HydrophobicContact CB-CG1 3.8Å; K86-V114 WeakPolarHBondContact O-CG1 3.17Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.43Å; N111-V114 PolarHBondContact O-N 3.28Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.48Å; N111-V114 PolarHBondContact OD1-N 3.17Å; V114-V116 PolarHBondContact O-N 3.02Å; V114-N117 PolarHBondContact O-N 2.7Å; V114-V118 HydrophobicContact CG1-CG2 4.05Å; V114-V118 VanDerWaalsContact O-CG2 3.25Å; V114-V118 WeakPolarHBondContact O-CG2 3.24Å; V114-V118 PolarHBondContact O-N 3.22Å
115	L	82.8	Confident	82.8	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-50.4	177.7	-175.4	147.2	0	0	0	111.9	F87 I110 N111 R113 N117 V118 V119	F87-L115 HydrophobicContact CB-CD1 4.15Å; F87-L115 HydrophobicContact CD1-CB 4.31Å; F87-L115 HydrophobicContact CD1-CD1 4.02Å; F87-L115 HydrophobicContact CD1-CG 3.84Å; F87-L115 HydrophobicContact CE1-CG 4.18Å; F87-L115 HydrophobicContact CG-CD1 4.1Å; F87-L115 HydrophobicContact CG-CG 4.43Å; I110-L115 HydrophobicContact CG2-CD1 4.19Å; N111-L115 WeakPolarHBondContact O-CB 2.84Å; N111-L115 PolarHBondContact O-N 3.14Å; R113-L115 VanDerWaalsContact C-N 3.33Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.43Å; L115-V118 PolarHBondContact O-N 2.92Å; L115-V119 HydrophobicContact CD2-CG2 4.2Å; L115-V119 WeakPolarHBondContact O-CB 3.45Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.47Å; L115-V119 PolarHBondContact O-N 3.04Å
116	V	81.5	Confident	82.9	Confident	24 Å²	24	41.8 Å²	41.8	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-44.4	178.6	171	0	0	0	0	111	L30 Y112 V114 V118 V119 K120	L30-V116 HydrophobicContact CD2-CG2 3.66Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 3.34Å; V114-V116 PolarHBondContact O-N 3.02Å; V116-V118 PolarHBondContact O-N 3.09Å; V116-V119 PolarHBondContact O-N 3.33Å; V116-K120 HydrophobicContact CG1-CD 4.3Å; V116-K120 HydrophobicContact CG1-CG 4.49Å; V116-K120 WeakPolarHBondContact O-CG 3.05Å; V116-K120 PolarHBondContact O-N 2.78Å
117	N	83.5	Confident	82.8	Confident	103 Å²	103	41.9 Å²	41.9	55%	0.551	19%	0.194	S	C	*	.	H	α-helix	trans	-64.1	-41.6	178.9	-71.5	-21.6	0	0	0	112.8	R113 V114 L115 K120 Y121	R113-N117 PolarHBondContact O-N 3.47Å; R113-N117 PolarHBondContact O-ND2 3.43Å; V114-N117 PolarHBondContact O-N 2.7Å; L115-N117 VanDerWaalsContact C-N 3.33Å; L115-N117 PolarHBondContact O-N 3.43Å; N117-K120 PolarHBondContact O-N 3.43Å; N117-Y121 WeakPolarHBondContact O-CB 3.4Å; N117-Y121 PolarHBondContact O-N 2.63Å
118	V	86.1	Confident	82.9	Confident	23 Å²	23	46.8 Å²	46.8	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-42.8	176.1	174.2	0	0	0	0	110.9	K86 F87 V114 L115 V116 Y121 K122	K86-V118 HydrophobicContact CB-CG2 4.19Å; F87-V118 HydrophobicContact CE1-CB 4.2Å; F87-V118 HydrophobicContact CE1-CG1 3.89Å; V114-V118 HydrophobicContact CG1-CG2 4.05Å; V114-V118 VanDerWaalsContact O-CG2 3.25Å; V114-V118 WeakPolarHBondContact O-CG2 3.24Å; V114-V118 PolarHBondContact O-N 3.22Å; L115-V118 PolarHBondContact O-N 2.92Å; V116-V118 PolarHBondContact O-N 3.09Å; V118-Y121 PolarHBondContact O-N 3.21Å; V118-K122 HydrophobicContact CG1-CD 4.08Å; V118-K122 HydrophobicContact CG1-CG 4.31Å; V118-K122 WeakPolarHBondContact O-CB 3.45Å; V118-K122 WeakPolarHBondContact O-CG 3.18Å; V118-K122 PolarHBondContact O-N 3.39Å
119	V	84.8	Confident	82.9	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-45.7	177.7	173	0	0	0	0	110.3	V37 F87 L115 V116 Y121 K122 L123 L205	V37-V119 HydrophobicContact CG1-CG2 4.13Å; V37-V119 HydrophobicContact CG2-CG1 4.17Å; V37-V119 HydrophobicContact CG2-CG2 4.42Å; F87-V119 HydrophobicContact CE1-CG2 4.14Å; F87-V119 HydrophobicContact CZ-CG2 4.32Å; L115-V119 HydrophobicContact CD2-CG2 4.2Å; L115-V119 WeakPolarHBondContact O-CB 3.45Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.47Å; L115-V119 PolarHBondContact O-N 3.04Å; V116-V119 PolarHBondContact O-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.82Å; V119-K122 PolarHBondContact O-N 3.17Å; V119-L123 HydrophobicContact CG1-CD1 3.92Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 2.86Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.29Å; V119-L123 PolarHBondContact O-N 2.84Å; V119-L205 HydrophobicContact CG1-CD1 4.45Å; V119-L205 HydrophobicContact CG1-CD2 4.29Å
120	K	84.3	Confident	82.9	Confident	63 Å²	63	54.2 Å²	54.2	27%	0.274	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-48	174.4	-73	-177.2	-173	-166.9	0	112.1	V116 N117 K122 L123 D124 L205 E209	V116-K120 HydrophobicContact CG1-CD 4.3Å; V116-K120 HydrophobicContact CG1-CG 4.49Å; V116-K120 WeakPolarHBondContact O-CG 3.05Å; V116-K120 PolarHBondContact O-N 2.78Å; N117-K120 PolarHBondContact O-N 3.43Å; K120-K122 PolarHBondContact O-N 3.08Å; K120-L123 PolarHBondContact O-N 2.89Å; K120-D124 WeakPolarHBondContact O-CB 3.29Å; K120-D124 PolarHBondContact O-N 3.02Å; K120-L205 HydrophobicContact CG-CD2 4.11Å; K120-E209 WeakPolarHBondContact CE-OE1 3.36Å; K120-E209 VanDerWaalsContact NZ-CG 3.28Å; K120-E209 IonicContact NZ-OE1 3.83Å; K120-E209 PolarHBondContact NZ-OE1 3.43Å
121	Y	86.4	Confident	82.9	Confident	143 Å²	143	56.7 Å²	56.7	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-60.1	-45.6	178.9	174.6	-95.9	0	0	0	112.2	N117 V118 V119 D124 H125	N117-Y121 WeakPolarHBondContact O-CB 3.4Å; N117-Y121 PolarHBondContact O-N 2.63Å; V118-Y121 PolarHBondContact O-N 3.21Å; V119-Y121 PolarHBondContact O-N 2.82Å; Y121-D124 PolarHBondContact O-N 3.37Å; Y121-H125 AromaticContact CD2-CD2 3.83Å; Y121-H125 AromaticContact CE1-CD2 3.6Å; Y121-H125 AromaticContact CE1-NE2 3.99Å; Y121-H125 AromaticContact CE2-CD2 3.36Å; Y121-H125 WeakPolarHBondContact CE2-CD2 3.39Å; Y121-H125 AromaticContact CE2-NE2 3.28Å; Y121-H125 VanDerWaalsContact CE2-NE2 3.28Å; Y121-H125 WeakPolarHBondContact CE2-NE2 3.37Å; Y121-H125 AromaticContact CZ-CD2 3.24Å; Y121-H125 AromaticContact CZ-NE2 3.17Å; Y121-H125 WeakPolarHBondContact O-CB 2.85Å; Y121-H125 PolarHBondContact O-CD2 3.12Å; Y121-H125 PolarHBondContact O-N 2.84Å; Y121-H125 PolarHBondContact OH-NE2 2.92Å; Y121-H125 VanDerWaalsContact OH-NE2 3.07Å
122	K	86.9	Confident	83.1	Confident	81 Å²	81	59.6 Å²	59.6	35%	0.352	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-42.4	178.5	-73.9	-177.1	-172.6	-105.2	0	111.4	D85 V118 V119 K120 H125 M126	D85-K122 IonicContact OD1-NZ 3.91Å; D85-K122 PolarHBondContact OD1-NZ 2.95Å; V118-K122 HydrophobicContact CG1-CD 4.08Å; V118-K122 HydrophobicContact CG1-CG 4.31Å; V118-K122 WeakPolarHBondContact O-CB 3.45Å; V118-K122 WeakPolarHBondContact O-CG 3.18Å; V118-K122 PolarHBondContact O-N 3.39Å; V119-K122 PolarHBondContact O-N 3.17Å; K120-K122 PolarHBondContact O-N 3.08Å; K122-H125 PolarHBondContact O-N 3.06Å; K122-M126 WeakPolarHBondContact O-CB 3.2Å; K122-M126 VanDerWaalsContact O-CG 3.26Å; K122-M126 WeakPolarHBondContact O-CG 2.82Å; K122-M126 PolarHBondContact O-N 2.9Å
123	L	83.1	Confident	83.4	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-42	177	-74.6	176	0	0	0	112.1	F41 V119 K120 M126 R127 I198 I201 Y202 L205	F41-L123 HydrophobicContact CZ-CD2 4.47Å; V119-L123 HydrophobicContact CG1-CD1 3.92Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 2.86Å; V119-L123 VanDerWaalsContact O-CG 3.3Å; V119-L123 WeakPolarHBondContact O-CG 3.29Å; V119-L123 PolarHBondContact O-N 2.84Å; K120-L123 PolarHBondContact O-N 2.89Å; L123-M126 PolarHBondContact O-N 2.96Å; L123-R127 VanDerWaalsContact O-CB 3.3Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 3.23Å; L123-I198 HydrophobicContact CD2-CG2 4.03Å; L123-I201 HydrophobicContact CD1-CG2 4.28Å; L123-Y202 HydrophobicContact CB-CE1 4.23Å; L123-Y202 HydrophobicContact CD1-CD1 4.44Å; L123-Y202 HydrophobicContact CD1-CE1 3.95Å; L123-L205 HydrophobicContact CD1-CD1 4.23Å; L123-L205 HydrophobicContact CD1-CD2 3.61Å
124	D	82.8	Confident	83.6	Confident	43 Å²	43	61.7 Å²	61.7	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-41.6	174.3	170.1	81.6	0	0	0	111.8	K120 Y121 R127 R128	K120-D124 WeakPolarHBondContact O-CB 3.29Å; K120-D124 PolarHBondContact O-N 3.02Å; Y121-D124 PolarHBondContact O-N 3.37Å; D124-R127 WeakPolarHBondContact O-CB 2.99Å; D124-R127 PolarHBondContact O-N 3.18Å; D124-R128 VanDerWaalsContact CG-NH2 3.29Å; D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 2.73Å; D124-R128 IonicContact OD1-CZ 3.65Å; D124-R128 IonicContact OD1-NE 2.9Å; D124-R128 PolarHBondContact OD1-NE 2.96Å; D124-R128 IonicContact OD1-NH2 2.82Å; D124-R128 PolarHBondContact OD1-NH2 3.5Å; D124-R128 VanDerWaalsContact OD1-NH2 3.08Å; D124-R128 IonicContact OD2-CZ 3.3Å; D124-R128 IonicContact OD2-NE 3.83Å; D124-R128 PolarHBondContact OD2-NE 2.89Å; D124-R128 IonicContact OD2-NH1 3.41Å; D124-R128 PolarHBondContact OD2-NH1 3.14Å; D124-R128 IonicContact OD2-NH2 2.81Å; D124-R128 PolarHBondContact OD2-NH2 2.69Å
125	H	85.9	Confident	83.5	Confident	82 Å²	82	68.8 Å²	68.8	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-42.2	173.8	-97	-85	0	0	0	113.3	Y121 K122 R127 R128 R129	Y121-H125 AromaticContact CD2-CD2 3.83Å; Y121-H125 AromaticContact CE1-CD2 3.6Å; Y121-H125 AromaticContact CE1-NE2 3.99Å; Y121-H125 AromaticContact CE2-CD2 3.36Å; Y121-H125 WeakPolarHBondContact CE2-CD2 3.39Å; Y121-H125 AromaticContact CE2-NE2 3.28Å; Y121-H125 VanDerWaalsContact CE2-NE2 3.28Å; Y121-H125 WeakPolarHBondContact CE2-NE2 3.37Å; Y121-H125 AromaticContact CZ-CD2 3.24Å; Y121-H125 AromaticContact CZ-NE2 3.17Å; Y121-H125 WeakPolarHBondContact O-CB 2.85Å; Y121-H125 PolarHBondContact O-CD2 3.12Å; Y121-H125 PolarHBondContact O-N 2.84Å; Y121-H125 PolarHBondContact OH-NE2 2.92Å; Y121-H125 VanDerWaalsContact OH-NE2 3.07Å; K122-H125 PolarHBondContact O-N 3.06Å; H125-R127 VanDerWaalsContact C-N 3.29Å; H125-R127 PolarHBondContact O-N 3.16Å; H125-R128 PolarHBondContact O-N 3.01Å; H125-R129 VanDerWaalsContact O-CB 3.27Å; H125-R129 WeakPolarHBondContact O-CB 3Å; H125-R129 PolarHBondContact O-N 2.76Å
126	M	83.1	Confident	83.3	Confident	64 Å²	64	72.4 Å²	72.4	32%	0.315	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-43.1	175.4	-74.3	-177.8	78.2	0	0	110.8	F41 K122 L123 R129 I130 F194	F41-M126 HydrophobicContact CE1-CE 3.99Å; F41-M126 HydrophobicContact CE1-SD 3.95Å; F41-M126 HydrophobicContact CZ-SD 4.4Å; K122-M126 WeakPolarHBondContact O-CB 3.2Å; K122-M126 VanDerWaalsContact O-CG 3.26Å; K122-M126 WeakPolarHBondContact O-CG 2.82Å; K122-M126 PolarHBondContact O-N 2.9Å; L123-M126 PolarHBondContact O-N 2.96Å; M126-R129 PolarHBondContact O-N 2.97Å; M126-I130 WeakPolarHBondContact O-CG1 3.39Å; M126-I130 PolarHBondContact O-N 3.04Å; M126-F194 HydrophobicContact CB-CZ 4.32Å; M126-F194 HydrophobicContact CE-CE2 3.6Å; M126-F194 HydrophobicContact CE-CZ 3.69Å
127	R	81.7	Confident	82.9	Confident	37 Å²	37	73.8 Å²	73.8	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-50.8	176	179.9	174.7	173.9	-98	-35.9	112.1	L123 D124 H125 R129 I130 E131	L123-R127 VanDerWaalsContact O-CB 3.3Å; L123-R127 WeakPolarHBondContact O-CB 3.42Å; L123-R127 PolarHBondContact O-N 3.23Å; D124-R127 WeakPolarHBondContact O-CB 2.99Å; D124-R127 PolarHBondContact O-N 3.18Å; H125-R127 VanDerWaalsContact C-N 3.29Å; H125-R127 PolarHBondContact O-N 3.16Å; R127-R129 VanDerWaalsContact C-N 3.26Å; R127-R129 PolarHBondContact O-N 3.06Å; R127-I130 PolarHBondContact O-N 2.73Å; R127-E131 IonicContact CZ-OE1 2.73Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 3.14Å; R127-E131 PolarHBondContact NE-OE1 3.49Å; R127-E131 IonicContact NH2-OE1 2.76Å; R127-E131 PolarHBondContact NH2-OE1 2.66Å; R127-E131 IonicContact NH2-OE2 3.82Å; R127-E131 WeakPolarHBondContact O-CG 3.22Å; R127-E131 PolarHBondContact O-N 3.45Å
128	R	85.5	Confident	82.3	Confident	129 Å²	129	74.4 Å²	74.4	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-37.3	176.4	-71.8	176.8	-167	168.5	6	112.2	D124 H125 E131 T132	D124-R128 VanDerWaalsContact CG-NH2 3.29Å; D124-R128 WeakPolarHBondContact O-CG 3.41Å; D124-R128 PolarHBondContact O-N 2.73Å; D124-R128 IonicContact OD1-CZ 3.65Å; D124-R128 IonicContact OD1-NE 2.9Å; D124-R128 PolarHBondContact OD1-NE 2.96Å; D124-R128 IonicContact OD1-NH2 2.82Å; D124-R128 PolarHBondContact OD1-NH2 3.5Å; D124-R128 VanDerWaalsContact OD1-NH2 3.08Å; D124-R128 IonicContact OD2-CZ 3.3Å; D124-R128 IonicContact OD2-NE 3.83Å; D124-R128 PolarHBondContact OD2-NE 2.89Å; D124-R128 IonicContact OD2-NH1 3.41Å; D124-R128 PolarHBondContact OD2-NH1 3.14Å; D124-R128 IonicContact OD2-NH2 2.81Å; D124-R128 PolarHBondContact OD2-NH2 2.69Å; H125-R128 PolarHBondContact O-N 3.01Å; R128-E131 PolarHBondContact O-N 2.64Å; R128-T132 WeakPolarHBondContact O-CB 3.02Å; R128-T132 PolarHBondContact O-N 2.87Å; R128-T132 PolarHBondContact O-OG1 3.33Å
129	R	85.2	Confident	81.2	Confident	152 Å²	152	77.2 Å²	77.2	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-63.5	-45.6	177	-175.8	54.3	147.5	155.2	-11.1	111.2	H125 M126 R127 T132 D133	H125-R129 VanDerWaalsContact O-CB 3.27Å; H125-R129 WeakPolarHBondContact O-CB 3Å; H125-R129 PolarHBondContact O-N 2.76Å; M126-R129 PolarHBondContact O-N 2.97Å; R127-R129 VanDerWaalsContact C-N 3.26Å; R127-R129 PolarHBondContact O-N 3.06Å; R129-T132 PolarHBondContact O-N 2.85Å; R129-D133 IonicContact CZ-OD1 2.82Å; R129-D133 IonicContact NE-OD1 3.79Å; R129-D133 IonicContact NH1-OD1 3.67Å; R129-D133 PolarHBondContact NH1-OD1 3.2Å; R129-D133 WeakPolarHBondContact O-CB 3.36Å; R129-D133 PolarHBondContact O-N 2.81Å
130	I	82.4	Confident	80.5	Confident	34 Å²	34	82.6 Å²	82.6	17%	0.174	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-39.3	178.1	-68.4	167.5	0	0	0	111.7	M126 R127 T132 D133 E134 V191 F194	M126-I130 WeakPolarHBondContact O-CG1 3.39Å; M126-I130 PolarHBondContact O-N 3.04Å; R127-I130 PolarHBondContact O-N 2.73Å; I130-T132 VanDerWaalsContact C-N 3.34Å; I130-D133 PolarHBondContact O-N 2.82Å; I130-E134 WeakPolarHBondContact O-CB 3.42Å; I130-E134 PolarHBondContact O-N 2.88Å; I130-V191 HydrophobicContact CG2-CB 4.17Å; I130-V191 HydrophobicContact CG2-CG1 3.86Å; I130-V191 HydrophobicContact CG2-CG2 3.54Å; I130-F194 HydrophobicContact CD1-CB 4.39Å; I130-F194 HydrophobicContact CD1-CD1 3.17Å; I130-F194 HydrophobicContact CD1-CD2 3.91Å; I130-F194 HydrophobicContact CD1-CE1 3.14Å; I130-F194 HydrophobicContact CD1-CE2 3.89Å; I130-F194 HydrophobicContact CD1-CG 3.55Å; I130-F194 HydrophobicContact CD1-CZ 3.51Å
131	E	81.9	Confident	79.6	Confident	60 Å²	60	80.2 Å²	80.2	28%	0.28	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-38	175.1	-71.6	173	-177.8	0	0	112.4	L3 R127 R128 R135	L3-E131 HydrophobicContact CD2-CG 4.31Å; L3-E131 WeakPolarHBondContact CD2-OE1 3.45Å; R127-E131 IonicContact CZ-OE1 2.73Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 3.14Å; R127-E131 PolarHBondContact NE-OE1 3.49Å; R127-E131 IonicContact NH2-OE1 2.76Å; R127-E131 PolarHBondContact NH2-OE1 2.66Å; R127-E131 IonicContact NH2-OE2 3.82Å; R127-E131 WeakPolarHBondContact O-CG 3.22Å; R127-E131 PolarHBondContact O-N 3.45Å; R128-E131 PolarHBondContact O-N 2.64Å; E131-R135 PolarHBondContact O-N 2.92Å
132	T	84.8	Confident	78.9	Confident	63 Å²	63	74.9 Å²	74.9	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-68.7	-45.7	175.2	-54.2	0	0	0	0	110.1	R128 R129 I130 E134 R135 D136	R128-T132 WeakPolarHBondContact O-CB 3.02Å; R128-T132 PolarHBondContact O-N 2.87Å; R128-T132 PolarHBondContact O-OG1 3.33Å; R129-T132 PolarHBondContact O-N 2.85Å; I130-T132 VanDerWaalsContact C-N 3.34Å; T132-E134 VanDerWaalsContact C-N 3.32Å; T132-E134 PolarHBondContact O-N 3.24Å; T132-R135 WeakPolarHBondContact O-CB 3.44Å; T132-R135 PolarHBondContact O-N 2.92Å; T132-D136 WeakPolarHBondContact CG2-OD2 3.4Å; T132-D136 VanDerWaalsContact O-CB 3.29Å; T132-D136 WeakPolarHBondContact O-CB 3.25Å; T132-D136 PolarHBondContact O-N 3.4Å
133	D	82.6	Confident	78.6	Confident	61 Å²	61	72.1 Å²	72.1	33%	0.326	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-33.8	178.8	-66	-10.2	0	0	0	111.2	R129 I130 S137	R129-D133 IonicContact CZ-OD1 2.82Å; R129-D133 IonicContact NE-OD1 3.79Å; R129-D133 IonicContact NH1-OD1 3.67Å; R129-D133 PolarHBondContact NH1-OD1 3.2Å; R129-D133 WeakPolarHBondContact O-CB 3.36Å; R129-D133 PolarHBondContact O-N 2.81Å; I130-D133 PolarHBondContact O-N 2.82Å; D133-S137 WeakPolarHBondContact O-CB 3.21Å; D133-S137 PolarHBondContact O-N 3.47Å; D133-S137 PolarHBondContact O-OG 2.72Å
134	E	79.4	Confident	78.7	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-46.6	170.9	-177.5	-176.1	-178.8	0	0	111.1	I130 T132 T138	I130-E134 WeakPolarHBondContact O-CB 3.42Å; I130-E134 PolarHBondContact O-N 2.88Å; T132-E134 VanDerWaalsContact C-N 3.32Å; T132-E134 PolarHBondContact O-N 3.24Å; E134-T138 VanDerWaalsContact O-CB 3.29Å; E134-T138 WeakPolarHBondContact O-CB 3.17Å; E134-T138 PolarHBondContact O-N 3.32Å; E134-T138 PolarHBondContact O-OG1 3.35Å
135	R	78.7	Confident	78.8	Confident	193 Å²	193	74.6 Å²	74.6	73%	0.728	36%	0.356	S	S	*	.	H	α-helix	trans	-59.9	-49.3	174.8	-96.6	-173.7	64.9	157.2	-0	111.5	E131 T132 T138 S139	E131-R135 PolarHBondContact O-N 2.92Å; T132-R135 WeakPolarHBondContact O-CB 3.44Å; T132-R135 PolarHBondContact O-N 2.92Å; R135-T138 CarbonylContact O-C 3.55Å; R135-T138 PolarHBondContact O-N 3.37Å; R135-S139 WeakPolarHBondContact O-CB 3.15Å; R135-S139 PolarHBondContact O-N 3.23Å; R135-S139 PolarHBondContact O-OG 3.48Å; R135-S139 VanDerWaalsContact O-OG 3.05Å
136	D	78.3	Confident	78.8	Confident	79 Å²	79	72.9 Å²	72.9	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-71	-33.7	-174.2	-71.1	-9.2	0	0	0	111.4	T132 S139 R140	T132-D136 WeakPolarHBondContact CG2-OD2 3.4Å; T132-D136 VanDerWaalsContact O-CB 3.29Å; T132-D136 WeakPolarHBondContact O-CB 3.25Å; T132-D136 PolarHBondContact O-N 3.4Å; D136-S139 WeakPolarHBondContact CA-OG 3.39Å; D136-S139 CarbonylContact O-C 3.6Å; D136-S139 PolarHBondContact O-N 3.4Å; D136-S139 PolarHBondContact O-OG 3.27Å; D136-R140 WeakPolarHBondContact O-CB 3.49Å; D136-R140 PolarHBondContact O-N 2.99Å
137	S	74.5	Confident	78.7	Confident	53 Å²	53	73.9 Å²	73.9	37%	0.371	36%	0.364	S	S	.	.	H	α-helix	trans	-72.2	-32.6	173	-60.6	0	0	0	0	111.8	D133	D133-S137 WeakPolarHBondContact O-CB 3.21Å; D133-S137 PolarHBondContact O-N 3.47Å; D133-S137 PolarHBondContact O-OG 2.72Å
138	T	69.4	Low	78.9	Confident	117 Å²	117	74.3 Å²	74.3	72%	0.718	37%	0.372	S	S	*	.	H	α-helix	trans	-75.7	-29.9	172.9	-54.8	0	0	0	0	111.9	E134 R135	E134-T138 VanDerWaalsContact O-CB 3.29Å; E134-T138 WeakPolarHBondContact O-CB 3.17Å; E134-T138 PolarHBondContact O-N 3.32Å; E134-T138 PolarHBondContact O-OG1 3.35Å; R135-T138 CarbonylContact O-C 3.55Å; R135-T138 PolarHBondContact O-N 3.37Å
139	S	63.1	Low	78.6	Confident	82 Å²	82	74.1 Å²	74.1	57%	0.573	38%	0.375	S	S	*	.	S	Bend	trans	-96.5	10.6	179	68.3	0	0	0	0	114.1	R135 D136	R135-S139 WeakPolarHBondContact O-CB 3.15Å; R135-S139 PolarHBondContact O-N 3.23Å; R135-S139 PolarHBondContact O-OG 3.48Å; R135-S139 VanDerWaalsContact O-OG 3.05Å; D136-S139 WeakPolarHBondContact CA-OG 3.39Å; D136-S139 CarbonylContact O-C 3.6Å; D136-S139 PolarHBondContact O-N 3.4Å; D136-S139 PolarHBondContact O-OG 3.27Å
140	R	70	Confident	78.4	Confident	120 Å²	120	68.6 Å²	68.6	45%	0.453	36%	0.36	S	S	.	.	S	Bend	trans	-76.8	144.2	-179.3	-147.2	172.2	94.4	174.3	9.2	110.4	D136 S142 D180 S182	D136-R140 WeakPolarHBondContact O-CB 3.49Å; D136-R140 PolarHBondContact O-N 2.99Å; R140-S142 PolarHBondContact O-N 3.32Å; R140-S142 VanDerWaalsContact O-N 3.17Å; R140-D180 IonicContact CZ-OD2 2.87Å; R140-D180 IonicContact NH2-OD2 3.98Å; R140-D180 PolarHBondContact NH2-OD2 3.35Å; R140-S182 PolarHBondContact NH2-OG 3.33Å
141	A	66.8	Low	78.5	Confident	14 Å²	14	71 Å²	71	12%	0.116	38%	0.376	C	S	.	.			trans	-53.1	116.9	176.9	0	0	0	0	0	111.5	F143 F152 T153	A141-F143 VanDerWaalsContact C-N 3.3Å; A141-F143 PolarHBondContact O-N 3.05Å; A141-F152 VanDerWaalsContact CB-O 3.28Å; A141-F152 WeakPolarHBondContact CB-O 3.41Å; A141-T153 HydrophobicContact CB-CG2 4.04Å
142	S	70.3	Confident	78.5	Confident	31 Å²	31	68.9 Å²	68.9	22%	0.217	37%	0.366	C	S	.	.	S	Bend	trans	-76.1	-15.8	-176.9	-45.8	0	0	0	0	113.5	R140 D154 E179 D180	R140-S142 PolarHBondContact O-N 3.32Å; R140-S142 VanDerWaalsContact O-N 3.17Å; S142-D154 WeakPolarHBondContact CB-OD1 3.45Å; S142-D154 PolarHBondContact OG-OD1 2.68Å; S142-E179 CarbonylContact O-C 3.6Å; S142-E179 WeakPolarHBondContact O-CA 3.25Å; S142-D180 PolarHBondContact O-N 2.97Å
143	F	80.8	Confident	78.4	Confident	22 Å²	22	68.3 Å²	68.3	10%	0.096	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.6	-173.2	-59.6	-74.6	0	0	0	111.5	A141 T151 F152 A157 F168 V177 E178 E179	A141-F143 VanDerWaalsContact C-N 3.3Å; A141-F143 PolarHBondContact O-N 3.05Å; F143-T151 CarbonylContact O-C 3.49Å; F143-T151 WeakPolarHBondContact O-CA 3.44Å; F143-F152 HydrophobicContact CB-CB 4.32Å; F143-F152 PolarHBondContact N-O 3.19Å; F143-F152 PolarHBondContact O-N 3.43Å; F143-A157 HydrophobicContact CE2-CB 4.35Å; F143-F168 HydrophobicContact CE1-CD2 4.44Å; F143-V177 HydrophobicContact CB-CG1 3.71Å; F143-E178 CarbonylContact C-O 3.58Å; F143-E178 WeakPolarHBondContact CA-O 3.44Å; F143-E179 HydrophobicContact CD1-CG 4.07Å; F143-E179 HydrophobicContact CE1-CG 3.75Å
144	R	85.3	Confident	78.3	Confident	102 Å²	102	69.8 Å²	69.8	39%	0.385	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.8	177.5	-175.6	175.2	-178	-110.7	7	110.6	T151 V177 E178 D180	R144-T151 HydrophobicContact CB-CG2 4.44Å; R144-T151 HydrophobicContact CG-CG2 4.17Å; R144-V177 VanDerWaalsContact C-CG1 3.5Å; R144-E178 PolarHBondContact N-O 3.02Å; R144-E178 PolarHBondContact O-N 3.48Å; R144-E178 VanDerWaalsContact O-N 3.14Å; R144-D180 HydrophobicContact CB-CB 4.4Å
145	C	86.1	Confident	78.4	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.392	C	S	.	.			trans	-81.5	127.7	175.8	-178.9	0	0	0	0	110.8	C147 C148 F149 S150 F152 C170 C173 V177	C145-C147 VanDerWaalsContact C-N 3.28Å; C145-C147 PolarHBondContact O-N 3.12Å; C145-C148 VanDerWaalsContact CB-SG 3.51Å; C145-F149 WeakPolarHBondContact O-CA 3.46Å; C145-F149 PolarHBondContact O-N 3.38Å; C145-S150 PolarHBondContact N-O 2.88Å; C145-F152 HydrophobicContact CB-CE2 4.44Å; C145-C170 HydrophobicContact CB-CB 4.14Å; C145-C173 PolarHBondContact SG-SG 2.65Å; C145-V177 HydrophobicContact CB-CG1 4.43Å
146	P	83.9	Confident	78.5	Confident	47 Å²	47	68 Å²	68	31%	0.305	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.9	-178.9	26.6	-34.4	0	0	0	113.8	F149	P146-F149 WeakPolarHBondContact O-CE1 3.49Å
147	C	82.8	Confident	78.6	Confident	84 Å²	84	64.9 Å²	64.9	57%	0.568	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-37.5	-175.6	-66.7	0	0	0	0	114.4	C145	C145-C147 VanDerWaalsContact C-N 3.28Å; C145-C147 PolarHBondContact O-N 3.12Å
148	C	85.1	Confident	78.9	Confident	46 Å²	46	69 Å²	69	31%	0.311	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-1.8	-178.8	63.8	0	0	0	0	113.3	C145 S150 C170	C145-C148 VanDerWaalsContact CB-SG 3.51Å; C148-S150 PolarHBondContact O-N 2.91Å; C148-C170 PolarHBondContact SG-SG 3.13Å
149	F	79.5	Confident	79.4	Confident	125 Å²	125	70.9 Å²	70.9	55%	0.548	38%	0.378	S	S	.	.			trans	53.3	18.3	-178.8	-57.9	-58	0	0	0	115.3	C145 P146 T151	C145-F149 WeakPolarHBondContact O-CA 3.46Å; C145-F149 PolarHBondContact O-N 3.38Å; P146-F149 WeakPolarHBondContact O-CE1 3.49Å; F149-T151 PolarHBondContact O-N 2.96Å
150	S	81.3	Confident	80.3	Confident	37 Å²	37	67.2 Å²	67.2	26%	0.259	35%	0.353	S	S	.	.			trans	-71.2	128.7	172.3	-61.7	0	0	0	0	109.3	C145 C148	C145-S150 PolarHBondContact N-O 2.88Å; C148-S150 PolarHBondContact O-N 2.91Å
151	T	83.5	Confident	80.9	Confident	83 Å²	83	65.2 Å²	65.2	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.1	175.9	50.4	0	0	0	0	109.3	F143 R144 F149	F143-T151 CarbonylContact O-C 3.49Å; F143-T151 WeakPolarHBondContact O-CA 3.44Å; R144-T151 HydrophobicContact CB-CG2 4.44Å; R144-T151 HydrophobicContact CG-CG2 4.17Å; F149-T151 PolarHBondContact O-N 2.96Å
152	F	82.5	Confident	81.7	Confident	16 Å²	16	67.1 Å²	67.1	7%	0.07	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.2	-178.1	-59.3	-78.9	0	0	0	110.7	A141 F143 C145 L160 C170 V177	A141-F152 VanDerWaalsContact CB-O 3.28Å; A141-F152 WeakPolarHBondContact CB-O 3.41Å; F143-F152 HydrophobicContact CB-CB 4.32Å; F143-F152 PolarHBondContact N-O 3.19Å; F143-F152 PolarHBondContact O-N 3.43Å; C145-F152 HydrophobicContact CB-CE2 4.44Å; F152-L160 HydrophobicContact CB-CD1 3.5Å; F152-L160 HydrophobicContact CD1-CD1 3.96Å; F152-L160 HydrophobicContact CD1-CD2 4.22Å; F152-L160 HydrophobicContact CD2-CD1 3.99Å; F152-L160 HydrophobicContact CD2-CD2 4.38Å; F152-L160 HydrophobicContact CE1-CD2 4.17Å; F152-L160 HydrophobicContact CE2-CD2 4.33Å; F152-L160 HydrophobicContact CG-CD1 3.56Å; F152-L160 HydrophobicContact CG-CD2 4.32Å; F152-L160 HydrophobicContact CZ-CD2 4.22Å; F152-C170 HydrophobicContact CE2-CB 4.42Å; F152-V177 HydrophobicContact CD2-CG1 4.19Å
153	T	83.1	Confident	82	Confident	52 Å²	52	73 Å²	73	32%	0.319	38%	0.379	S	S	.	.			trans	-90.1	161.7	178.8	62	0	0	0	0	111.4	A141 L155 E156	A141-T153 HydrophobicContact CB-CG2 4.04Å; T153-L155 PolarHBondContact O-N 2.72Å; T153-E156 PolarHBondContact N-OE2 3.46Å; T153-E156 PolarHBondContact O-N 3.03Å
154	D	79.6	Confident	82	Confident	92 Å²	92	80 Å²	80	49%	0.492	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.6	179.3	-58	-12.8	0	0	0	113.3	S142 E156 A157	S142-D154 WeakPolarHBondContact CB-OD1 3.45Å; S142-D154 PolarHBondContact OG-OD1 2.68Å; D154-E156 VanDerWaalsContact C-N 3.25Å; D154-E156 PolarHBondContact O-N 3.21Å; D154-A157 VanDerWaalsContact O-CB 3.23Å; D154-A157 WeakPolarHBondContact O-CB 3.05Å; D154-A157 PolarHBondContact O-N 3.44Å
155	L	81.9	Confident	81.6	Confident	149 Å²	149	78.3 Å²	78.3	78%	0.78	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-66.8	-29.2	176.3	-79.5	78.6	0	0	0	112.3	T153	T153-L155 PolarHBondContact O-N 2.72Å
156	E	81.5	Confident	81.5	Confident	78 Å²	78	80.6 Å²	80.6	36%	0.364	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7	-179.2	-63.6	170.6	151.9	0	0	111.9	T153 D154 N158 Q159 L160	T153-E156 PolarHBondContact N-OE2 3.46Å; T153-E156 PolarHBondContact O-N 3.03Å; D154-E156 VanDerWaalsContact C-N 3.25Å; D154-E156 PolarHBondContact O-N 3.21Å; E156-N158 PolarHBondContact O-N 3.32Å; E156-Q159 WeakPolarHBondContact O-CB 3.45Å; E156-Q159 PolarHBondContact O-N 3.23Å; E156-L160 HydrophobicContact CB-CD1 4.45Å; E156-L160 WeakPolarHBondContact O-CG 3.2Å; E156-L160 PolarHBondContact O-N 2.76Å; E156-L160 VanDerWaalsContact O-N 3.15Å
157	A	80.1	Confident	81.6	Confident	13 Å²	13	80.2 Å²	80.2	11%	0.107	44%	0.436	C	S	.	.	H	α-helix	trans	-56.9	-35.8	179.9	0	0	0	0	0	112.8	F143 D154 Q159 L160 F161 F168	F143-A157 HydrophobicContact CE2-CB 4.35Å; D154-A157 VanDerWaalsContact O-CB 3.23Å; D154-A157 WeakPolarHBondContact O-CB 3.05Å; D154-A157 PolarHBondContact O-N 3.44Å; A157-Q159 VanDerWaalsContact C-N 3.26Å; A157-Q159 PolarHBondContact O-N 2.96Å; A157-L160 PolarHBondContact O-N 2.73Å; A157-F161 PolarHBondContact O-N 3.15Å; A157-F168 HydrophobicContact CB-CE1 4.02Å
158	N	80.4	Confident	81.7	Confident	140 Å²	140	79.4 Å²	79.4	75%	0.749	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-28.6	176.1	-71.3	-43.4	0	0	0	113.2	E156	E156-N158 PolarHBondContact O-N 3.32Å
159	Q	80.4	Confident	81.7	Confident	155 Å²	155	81.1 Å²	81.1	72%	0.724	42%	0.423	S	S	*	.	H	α-helix	trans	-85.8	-24	178.3	-60.4	179.8	19	0	0	111.9	E156 A157	E156-Q159 WeakPolarHBondContact O-CB 3.45Å; E156-Q159 PolarHBondContact O-N 3.23Å; A157-Q159 VanDerWaalsContact C-N 3.26Å; A157-Q159 PolarHBondContact O-N 2.96Å
160	L	81.6	Confident	82	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-86.3	-15.2	178.2	-63.4	165.6	0	0	0	112.7	F152 E156 A157 D162 F168 R169 T171	F152-L160 HydrophobicContact CB-CD1 3.5Å; F152-L160 HydrophobicContact CD1-CD1 3.96Å; F152-L160 HydrophobicContact CD1-CD2 4.22Å; F152-L160 HydrophobicContact CD2-CD1 3.99Å; F152-L160 HydrophobicContact CD2-CD2 4.38Å; F152-L160 HydrophobicContact CE1-CD2 4.17Å; F152-L160 HydrophobicContact CE2-CD2 4.33Å; F152-L160 HydrophobicContact CG-CD1 3.56Å; F152-L160 HydrophobicContact CG-CD2 4.32Å; F152-L160 HydrophobicContact CZ-CD2 4.22Å; E156-L160 HydrophobicContact CB-CD1 4.45Å; E156-L160 WeakPolarHBondContact O-CG 3.2Å; E156-L160 PolarHBondContact O-N 2.76Å; E156-L160 VanDerWaalsContact O-N 3.15Å; A157-L160 PolarHBondContact O-N 2.73Å; L160-D162 PolarHBondContact O-N 2.71Å; L160-F168 HydrophobicContact CB-CD1 4.25Å; L160-F168 CarbonylContact O-C 3.53Å; L160-F168 WeakPolarHBondContact O-CA 3.23Å; L160-R169 WeakPolarHBondContact CD2-O 3.43Å; L160-R169 PolarHBondContact O-N 2.87Å; L160-T171 HydrophobicContact CD2-CG2 3.87Å
161	F	81.4	Confident	82.1	Confident	77 Å²	77	77.2 Å²	77.2	34%	0.338	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.1	-177.4	-173.2	-103	0	0	0	112.5	A157 F168	A157-F161 PolarHBondContact O-N 3.15Å; F161-F168 HydrophobicContact CB-CD1 4.14Å; F161-F168 HydrophobicContact CB-CE1 4Å; F161-F168 HydrophobicContact CD2-CD1 4.24Å; F161-F168 AromaticContact CD2-CE1 3.91Å; F161-F168 HydrophobicContact CD2-CE1 3.91Å; F161-F168 HydrophobicContact CD2-CZ 4.28Å; F161-F168 HydrophobicContact CG-CE1 4.42Å
162	D	83.9	Confident	82	Confident	55 Å²	55	81.1 Å²	81.1	29%	0.294	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.3	171.9	-171.6	-8.8	0	0	0	110.5	L160 M164 T165 G166 T167 R169	L160-D162 PolarHBondContact O-N 2.71Å; D162-M164 PolarHBondContact O-N 3.34Å; D162-M164 WeakPolarHBondContact OD1-CB 3.41Å; D162-M164 PolarHBondContact OD1-N 2.85Å; D162-T165 PolarHBondContact O-N 2.97Å; D162-G166 PolarHBondContact O-N 3.35Å; D162-T167 PolarHBondContact N-O 3.48Å; D162-R169 IonicContact OD2-NE 2.65Å
163	H	77.6	Confident	82.1	Confident	155 Å²	155	82.7 Å²	82.7	72%	0.718	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.7	-178.4	-63.7	71.5	0	0	0	112.9
164	M	79.9	Confident	81.9	Confident	169 Å²	169	87.1 Å²	87.1	83%	0.833	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-31.8	-179.7	-62.3	-59.2	-63.9	0	0	112.5	D162	D162-M164 PolarHBondContact O-N 3.34Å; D162-M164 WeakPolarHBondContact OD1-CB 3.41Å; D162-M164 PolarHBondContact OD1-N 2.85Å
165	T	78.5	Confident	82.1	Confident	65 Å²	65	84.9 Å²	84.9	40%	0.399	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-12.7	-177.4	66.1	0	0	0	0	113.9	D162 T167 R169	D162-T165 PolarHBondContact O-N 2.97Å; T165-T167 PolarHBondContact O-N 3.09Å; T165-T167 PolarHBondContact OG1-OG1 3.16Å; T165-R169 PolarHBondContact OG1-NE 3Å; T165-R169 VanDerWaalsContact OG1-NE 3.15Å; T165-R169 PolarHBondContact OG1-NH2 2.99Å
166	G	83.3	Confident	82.2	Confident	48 Å²	48	83.3 Å²	83.3	50%	0.495	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	17.5	179.4	0	0	0	0	0	114	D162	D162-G166 PolarHBondContact O-N 3.35Å
167	T	86	Confident	82.3	Confident	39 Å²	39	80.1 Å²	80.1	24%	0.239	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.8	-176.6	54.9	0	0	0	0	111.2	D162 T165	D162-T167 PolarHBondContact N-O 3.48Å; T165-T167 PolarHBondContact O-N 3.09Å; T165-T167 PolarHBondContact OG1-OG1 3.16Å
168	F	85.4	Confident	82.4	Confident	68 Å²	68	85.4 Å²	85.4	30%	0.298	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.5	176	-62.7	-73.3	0	0	0	110.2	F143 A157 L160 F161 E176 V177	F143-F168 HydrophobicContact CE1-CD2 4.44Å; A157-F168 HydrophobicContact CB-CE1 4.02Å; L160-F168 HydrophobicContact CB-CD1 4.25Å; L160-F168 CarbonylContact O-C 3.53Å; L160-F168 WeakPolarHBondContact O-CA 3.23Å; F161-F168 HydrophobicContact CB-CD1 4.14Å; F161-F168 HydrophobicContact CB-CE1 4Å; F161-F168 HydrophobicContact CD2-CD1 4.24Å; F161-F168 AromaticContact CD2-CE1 3.91Å; F161-F168 HydrophobicContact CD2-CE1 3.91Å; F161-F168 HydrophobicContact CD2-CZ 4.28Å; F161-F168 HydrophobicContact CG-CE1 4.42Å; F168-E176 WeakPolarHBondContact O-CA 3.34Å; F168-V177 HydrophobicContact CB-CB 4.38Å; F168-V177 PolarHBondContact O-N 3.5Å
169	R	84.9	Confident	82	Confident	82 Å²	82	85.9 Å²	85.9	31%	0.309	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-116.8	137.8	-179.7	-66.2	-177.5	178.5	-82.8	-5.2	110.5	L160 D162 T165 Q174 T175	L160-R169 WeakPolarHBondContact CD2-O 3.43Å; L160-R169 PolarHBondContact O-N 2.87Å; D162-R169 IonicContact OD2-NE 2.65Å; T165-R169 PolarHBondContact OG1-NE 3Å; T165-R169 VanDerWaalsContact OG1-NE 3.15Å; T165-R169 PolarHBondContact OG1-NH2 2.99Å; R169-Q174 PolarHBondContact NH1-O 2.85Å; R169-T175 WeakPolarHBondContact CA-O 3.43Å
170	C	85.4	Confident	81.5	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.014	41%	0.405	C	S	.	.			trans	-64.2	139.4	174.7	178.6	0	0	0	0	111.4	C145 C148 F152 F172 C173 Q174 T175 V177	C145-C170 HydrophobicContact CB-CB 4.14Å; C148-C170 PolarHBondContact SG-SG 3.13Å; F152-C170 HydrophobicContact CE2-CB 4.42Å; C170-F172 VanDerWaalsContact C-N 3.27Å; C170-F172 PolarHBondContact O-N 2.87Å; C170-F172 PolarHBondContact SG-N 3.36Å; C170-C173 VanDerWaalsContact CB-SG 3.53Å; C170-C173 VanDerWaalsContact SG-SG 3.6Å; C170-Q174 VanDerWaalsContact O-CA 3.26Å; C170-Q174 WeakPolarHBondContact O-CA 3.47Å; C170-Q174 PolarHBondContact O-N 2.94Å; C170-T175 PolarHBondContact N-O 2.77Å; C170-V177 HydrophobicContact CB-CG2 4.03Å; C170-V177 VanDerWaalsContact N-CG2 3.33Å
171	T	83.3	Confident	80.4	Confident	78 Å²	78	88.5 Å²	88.5	48%	0.479	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.8	178.2	49.7	0	0	0	0	114	L160	L160-T171 HydrophobicContact CD2-CG2 3.87Å
172	F	81.4	Confident	79	Confident	165 Å²	165	88.2 Å²	88.2	72%	0.724	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-37.1	-174.2	-60.9	-74.5	0	0	0	114	C170	C170-F172 VanDerWaalsContact C-N 3.27Å; C170-F172 PolarHBondContact O-N 2.87Å; C170-F172 PolarHBondContact SG-N 3.36Å
173	C	83.8	Confident	77.5	Confident	49 Å²	49	88.5 Å²	88.5	33%	0.331	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-2.9	-173.9	61.6	0	0	0	0	114.3	C145 C170 T175	C145-C173 PolarHBondContact SG-SG 2.65Å; C170-C173 VanDerWaalsContact CB-SG 3.53Å; C170-C173 VanDerWaalsContact SG-SG 3.6Å; C173-T175 PolarHBondContact O-N 3.36Å; C173-T175 PolarHBondContact O-OG1 3.1Å; C173-T175 PolarHBondContact SG-OG1 2.92Å
174	Q	79.6	Confident	76.3	Confident	144 Å²	144	84.8 Å²	84.8	67%	0.673	45%	0.446	S	S	*	.			trans	53.8	11.2	-177.9	-60.4	179.9	9.8	0	0	115.1	R169 C170	R169-Q174 PolarHBondContact NH1-O 2.85Å; C170-Q174 VanDerWaalsContact O-CA 3.26Å; C170-Q174 WeakPolarHBondContact O-CA 3.47Å; C170-Q174 PolarHBondContact O-N 2.94Å
175	T	82.7	Confident	75.1	Confident	46 Å²	46	81.7 Å²	81.7	28%	0.282	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-72.4	147.3	172.9	-41.8	0	0	0	0	109.5	R169 C170 C173 V177	R169-T175 WeakPolarHBondContact CA-O 3.43Å; C170-T175 PolarHBondContact N-O 2.77Å; C173-T175 PolarHBondContact O-N 3.36Å; C173-T175 PolarHBondContact O-OG1 3.1Å; C173-T175 PolarHBondContact SG-OG1 2.92Å; T175-V177 PolarHBondContact O-N 3.08Å
176	E	84.1	Confident	74.1	Confident	116 Å²	116	83.2 Å²	83.2	54%	0.542	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-55.5	131.4	171	-169.6	164.8	-170.5	0	0	110.3	F168	F168-E176 WeakPolarHBondContact O-CA 3.34Å
177	V	85.4	Confident	73.1	Confident	11 Å²	11	82.7 Å²	82.7	7%	0.067	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-91.5	130.4	178.4	-164	0	0	0	0	107.8	F143 R144 C145 F152 F168 C170 T175	F143-V177 HydrophobicContact CB-CG1 3.71Å; R144-V177 VanDerWaalsContact C-CG1 3.5Å; C145-V177 HydrophobicContact CB-CG1 4.43Å; F152-V177 HydrophobicContact CD2-CG1 4.19Å; F168-V177 HydrophobicContact CB-CB 4.38Å; F168-V177 PolarHBondContact O-N 3.5Å; C170-V177 HydrophobicContact CB-CG2 4.03Å; C170-V177 VanDerWaalsContact N-CG2 3.33Å; T175-V177 PolarHBondContact O-N 3.08Å
178	E	80.7	Confident	72.1	Confident	123 Å²	123	90.1 Å²	90.1	58%	0.575	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	150.6	-179.9	-68	173.6	178.8	0	0	110	F143 R144	F143-E178 CarbonylContact C-O 3.58Å; F143-E178 WeakPolarHBondContact CA-O 3.44Å; R144-E178 PolarHBondContact N-O 3.02Å; R144-E178 PolarHBondContact O-N 3.48Å; R144-E178 VanDerWaalsContact O-N 3.14Å
179	E	72.4	Confident	71.5	Confident	150 Å²	150	90 Å²	90	70%	0.701	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.2	168.7	-69.5	178.6	-178.5	0	0	108.8	S142 F143 E181	S142-E179 CarbonylContact O-C 3.6Å; S142-E179 WeakPolarHBondContact O-CA 3.25Å; F143-E179 HydrophobicContact CD1-CG 4.07Å; F143-E179 HydrophobicContact CE1-CG 3.75Å; E179-E181 PolarHBondContact O-N 3.33Å
180	D	69.7	Low	70.8	Confident	30 Å²	30	91.6 Å²	91.6	16%	0.16	48%	0.478	C	S	.	.			trans	-71.1	94.6	175.8	-172.1	5.8	0	0	0	108.7	R140 S142 R144 S182 V183	R140-D180 IonicContact CZ-OD2 2.87Å; R140-D180 IonicContact NH2-OD2 3.98Å; R140-D180 PolarHBondContact NH2-OD2 3.35Å; S142-D180 PolarHBondContact O-N 2.97Å; R144-D180 HydrophobicContact CB-CB 4.4Å; D180-S182 PolarHBondContact O-N 3.45Å; D180-S182 WeakPolarHBondContact OD1-CB 3.03Å; D180-S182 PolarHBondContact OD1-N 2.92Å; D180-S182 PolarHBondContact OD1-OG 3.49Å; D180-S182 PolarHBondContact OD2-OG 3.33Å; D180-S182 VanDerWaalsContact OD2-OG 3.11Å; D180-V183 HydrophobicContact CB-CG2 4.38Å; D180-V183 PolarHBondContact O-N 2.91Å
181	E	58	Low	70.2	Confident	187 Å²	187	92.5 Å²	92.5	87%	0.874	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.3	175.7	-79.1	-168.5	151.4	0	0	113.5	E179 V183	E179-E181 PolarHBondContact O-N 3.33Å; E181-V183 VanDerWaalsContact C-N 3.26Å; E181-V183 PolarHBondContact O-N 3.48Å
182	S	52.7	Low	69.8	Low	70 Å²	70	91.2 Å²	91.2	49%	0.49	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.4	173.2	71.1	0	0	0	0	114.4	R140 D180 C184	R140-S182 PolarHBondContact NH2-OG 3.33Å; D180-S182 PolarHBondContact O-N 3.45Å; D180-S182 WeakPolarHBondContact OD1-CB 3.03Å; D180-S182 PolarHBondContact OD1-N 2.92Å; D180-S182 PolarHBondContact OD1-OG 3.49Å; D180-S182 PolarHBondContact OD2-OG 3.33Å; D180-S182 VanDerWaalsContact OD2-OG 3.11Å; S182-C184 PolarHBondContact O-N 3.29Å; S182-C184 VanDerWaalsContact O-N 3.1Å
183	V	52.9	Low	69.7	Low	62 Å²	62	90.8 Å²	90.8	38%	0.376	47%	0.474	S	S	.	.			trans	-81.5	61.9	160.2	-170.1	0	0	0	0	108.8	D180 E181	D180-V183 HydrophobicContact CB-CG2 4.38Å; D180-V183 PolarHBondContact O-N 2.91Å; E181-V183 VanDerWaalsContact C-N 3.26Å; E181-V183 PolarHBondContact O-N 3.48Å
184	C	51.6	Low	69.3	Low	76 Å²	76	90.7 Å²	90.7	51%	0.514	47%	0.468	S	S	.	.			trans	-76.7	137.4	175.4	-169	0	0	0	0	109.6	S182 D186	S182-C184 PolarHBondContact O-N 3.29Å; S182-C184 VanDerWaalsContact O-N 3.1Å; C184-D186 HydrophobicContact CB-CB 4.29Å; C184-D186 PolarHBondContact O-N 2.83Å
185	P	54.9	Low	69.2	Low	104 Å²	104	86 Å²	86	68%	0.675	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-0.2	172.9	25.7	-35.2	0	0	0	114.2	A187 R188	P185-A187 PolarHBondContact O-N 3.37Å; P185-R188 PolarHBondContact O-N 3.13Å; P185-R188 VanDerWaalsContact O-N 3.11Å
186	D	57	Low	69.2	Low	98 Å²	98	90.5 Å²	90.5	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-59.2	-25.2	178.1	-160.7	28.8	0	0	0	113.2	C184 R188 T189 L190	C184-D186 HydrophobicContact CB-CB 4.29Å; C184-D186 PolarHBondContact O-N 2.83Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 3.16Å; D186-T189 PolarHBondContact O-N 3.32Å; D186-T189 VanDerWaalsContact O-N 3.17Å; D186-L190 WeakPolarHBondContact O-CB 3.35Å; D186-L190 PolarHBondContact O-N 2.88Å
187	A	62.2	Low	69	Low	36 Å²	36	91.8 Å²	91.8	30%	0.298	47%	0.471	S	S	.	.	H	α-helix	trans	-56.6	-40.9	173.6	0	0	0	0	0	112.1	P185 L190 V191	P185-A187 PolarHBondContact O-N 3.37Å; A187-L190 PolarHBondContact O-N 3.31Å; A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 3.21Å
188	R	66.7	Low	68.7	Low	196 Å²	196	91.7 Å²	91.7	74%	0.74	47%	0.471	S	S	*	.	H	α-helix	trans	-68.8	-37.1	179.4	-168.7	178.8	179.4	123.4	-3.3	112	P185 D186 A192	P185-R188 PolarHBondContact O-N 3.13Å; P185-R188 VanDerWaalsContact O-N 3.11Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 3.16Å; R188-A192 PolarHBondContact O-N 3.22Å
189	T	72.4	Confident	68.7	Low	65 Å²	65	88.7 Å²	88.7	40%	0.399	46%	0.457	S	S	.	.	H	α-helix	trans	-70.5	-37.9	176.2	-52.8	0	0	0	0	111.2	D186 A192 R193	D186-T189 PolarHBondContact O-N 3.32Å; D186-T189 VanDerWaalsContact O-N 3.17Å; T189-A192 PolarHBondContact O-N 3.46Å; T189-R193 WeakPolarHBondContact O-CG 3.36Å; T189-R193 PolarHBondContact O-N 3.28Å
190	L	69.9	Low	69.1	Low	115 Å²	115	84.9 Å²	84.9	60%	0.602	45%	0.445	S	S	*	.	H	α-helix	trans	-64.9	-41.9	177	-172.9	64	0	0	0	111.9	D186 A187 R193 F194	D186-L190 WeakPolarHBondContact O-CB 3.35Å; D186-L190 PolarHBondContact O-N 2.88Å; A187-L190 PolarHBondContact O-N 3.31Å; L190-R193 PolarHBondContact O-N 3.45Å; L190-F194 WeakPolarHBondContact O-CB 3.26Å; L190-F194 PolarHBondContact O-N 3.15Å
191	V	73.6	Confident	69.5	Low	22 Å²	22	84.1 Å²	84.1	13%	0.133	44%	0.44	C	S	.	.	H	α-helix	trans	-61.3	-44.4	174.1	176.8	0	0	0	0	111.3	L3 I130 A187 F194 N195	L3-V191 HydrophobicContact CD1-CG1 4.43Å; I130-V191 HydrophobicContact CG2-CB 4.17Å; I130-V191 HydrophobicContact CG2-CG1 3.86Å; I130-V191 HydrophobicContact CG2-CG2 3.54Å; A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 3.21Å; V191-F194 PolarHBondContact O-N 3.09Å; V191-N195 PolarHBondContact O-N 3.04Å
192	A	74.9	Confident	70.3	Confident	50 Å²	50	76.2 Å²	76.2	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-46.2	178.7	0	0	0	0	0	111.8	R188 T189 F194 N195 E196	R188-A192 PolarHBondContact O-N 3.22Å; T189-A192 PolarHBondContact O-N 3.46Å; A192-F194 PolarHBondContact O-N 3.15Å; A192-N195 PolarHBondContact O-N 3.4Å; A192-E196 WeakPolarHBondContact O-CG 3.26Å; A192-E196 PolarHBondContact O-N 3.14Å; A192-E196 VanDerWaalsContact O-N 3.1Å
193	R	78.4	Confident	71.6	Confident	157 Å²	157	75.3 Å²	75.3	59%	0.592	40%	0.399	S	S	*	.	H	α-helix	trans	-63.6	-39.8	176.8	-73.3	-177.5	177.2	-172.1	2	112.7	T189 L190 N195 E196 Q197	T189-R193 WeakPolarHBondContact O-CG 3.36Å; T189-R193 PolarHBondContact O-N 3.28Å; L190-R193 PolarHBondContact O-N 3.45Å; R193-N195 VanDerWaalsContact C-N 3.35Å; R193-E196 PolarHBondContact O-N 3.01Å; R193-Q197 WeakPolarHBondContact O-CG 3.39Å; R193-Q197 PolarHBondContact O-N 3.01Å; R193-Q197 VanDerWaalsContact O-N 3.14Å
194	F	76	Confident	72.5	Confident	46 Å²	46	72.6 Å²	72.6	20%	0.202	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-43.7	176	178.3	-93.6	0	0	0	111.3	M126 I130 L190 V191 A192 E196 Q197 I198	M126-F194 HydrophobicContact CB-CZ 4.32Å; M126-F194 HydrophobicContact CE-CE2 3.6Å; M126-F194 HydrophobicContact CE-CZ 3.69Å; I130-F194 HydrophobicContact CD1-CB 4.39Å; I130-F194 HydrophobicContact CD1-CD1 3.17Å; I130-F194 HydrophobicContact CD1-CD2 3.91Å; I130-F194 HydrophobicContact CD1-CE1 3.14Å; I130-F194 HydrophobicContact CD1-CE2 3.89Å; I130-F194 HydrophobicContact CD1-CG 3.55Å; I130-F194 HydrophobicContact CD1-CZ 3.51Å; L190-F194 WeakPolarHBondContact O-CB 3.26Å; L190-F194 PolarHBondContact O-N 3.15Å; V191-F194 PolarHBondContact O-N 3.09Å; A192-F194 PolarHBondContact O-N 3.15Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.32Å; F194-Q197 PolarHBondContact O-N 3.38Å; F194-Q197 VanDerWaalsContact O-N 3.14Å; F194-I198 HydrophobicContact CD1-CG1 4.04Å; F194-I198 HydrophobicContact CD2-CG1 4.13Å; F194-I198 HydrophobicContact CE1-CB 4.46Å; F194-I198 HydrophobicContact CE1-CG1 3.6Å; F194-I198 HydrophobicContact CE2-CD1 3.93Å; F194-I198 HydrophobicContact CE2-CG1 3.7Å; F194-I198 HydrophobicContact CG-CG1 4.3Å; F194-I198 HydrophobicContact CZ-CD1 3.92Å; F194-I198 HydrophobicContact CZ-CG1 3.44Å; F194-I198 VanDerWaalsContact CZ-CG1 3.44Å; F194-I198 WeakPolarHBondContact O-CG1 3.5Å; F194-I198 PolarHBondContact O-N 2.86Å
195	N	77.9	Confident	73.6	Confident	45 Å²	45	69 Å²	69	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-40.7	179.8	-162.8	44.5	0	0	0	111.8	V191 A192 R193 Q197 I198 E199	V191-N195 PolarHBondContact O-N 3.04Å; A192-N195 PolarHBondContact O-N 3.4Å; R193-N195 VanDerWaalsContact C-N 3.35Å; N195-Q197 VanDerWaalsContact C-N 3.29Å; N195-Q197 PolarHBondContact O-N 3.03Å; N195-I198 PolarHBondContact O-N 2.99Å; N195-E199 WeakPolarHBondContact O-CB 3.28Å; N195-E199 PolarHBondContact O-N 3.17Å
196	E	81.6	Confident	74.5	Confident	142 Å²	142	68 Å²	68	66%	0.664	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-35.6	174	-72.3	175.8	177.9	0	0	112.9	A192 R193 F194 P200	A192-E196 WeakPolarHBondContact O-CG 3.26Å; A192-E196 PolarHBondContact O-N 3.14Å; A192-E196 VanDerWaalsContact O-N 3.1Å; R193-E196 PolarHBondContact O-N 3.01Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.32Å; E196-P200 WeakPolarHBondContact O-CD 3.48Å
197	Q	79.6	Confident	75.1	Confident	142 Å²	142	68.4 Å²	68.4	66%	0.664	34%	0.34	S	S	*	.	H	α-helix	trans	-78.4	-29.9	-179.4	-72.7	178.4	-3	0	0	113.8	R193 F194 N195 P200	R193-Q197 WeakPolarHBondContact O-CG 3.39Å; R193-Q197 PolarHBondContact O-N 3.01Å; R193-Q197 VanDerWaalsContact O-N 3.14Å; F194-Q197 PolarHBondContact O-N 3.38Å; F194-Q197 VanDerWaalsContact O-N 3.14Å; N195-Q197 VanDerWaalsContact C-N 3.29Å; N195-Q197 PolarHBondContact O-N 3.03Å; Q197-P200 WeakPolarHBondContact O-CD 3.41Å
198	I	79.8	Confident	75.1	Confident	9 Å²	9	67 Å²	67	5%	0.046	33%	0.328	C	S	.	.	H	α-helix	trans	-89.9	-22	-179.1	-57	-64.5	0	0	0	112	F41 L123 F194 N195 P200 I201 Y202	F41-I198 HydrophobicContact CZ-CD1 4.17Å; L123-I198 HydrophobicContact CD2-CG2 4.03Å; F194-I198 HydrophobicContact CD1-CG1 4.04Å; F194-I198 HydrophobicContact CD2-CG1 4.13Å; F194-I198 HydrophobicContact CE1-CB 4.46Å; F194-I198 HydrophobicContact CE1-CG1 3.6Å; F194-I198 HydrophobicContact CE2-CD1 3.93Å; F194-I198 HydrophobicContact CE2-CG1 3.7Å; F194-I198 HydrophobicContact CG-CG1 4.3Å; F194-I198 HydrophobicContact CZ-CD1 3.92Å; F194-I198 HydrophobicContact CZ-CG1 3.44Å; F194-I198 VanDerWaalsContact CZ-CG1 3.44Å; F194-I198 WeakPolarHBondContact O-CG1 3.5Å; F194-I198 PolarHBondContact O-N 2.86Å; N195-I198 PolarHBondContact O-N 2.99Å; I198-P200 VanDerWaalsContact C-N 3.34Å; I198-I201 HydrophobicContact CD1-CD1 4.32Å; I198-I201 WeakPolarHBondContact O-CA 3.36Å; I198-I201 WeakPolarHBondContact O-CB 3.24Å; I198-I201 PolarHBondContact O-N 3Å; I198-Y202 HydrophobicContact CB-CD2 4.33Å; I198-Y202 HydrophobicContact CB-CE2 4.17Å; I198-Y202 HydrophobicContact CG2-CD2 3.48Å; I198-Y202 VanDerWaalsContact CG2-CD2 3.48Å; I198-Y202 HydrophobicContact CG2-CE2 3.21Å; I198-Y202 HydrophobicContact CG2-CG 4.34Å; I198-Y202 PolarHBondContact O-N 3.21Å
199	E	79.8	Confident	74.7	Confident	61 Å²	61	61 Å²	61	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-46.6	-46.4	175.7	-171.8	61	-150.9	0	0	114.3	F6 N195 I201 Y202 A203	F6-E199 WeakPolarHBondContact CE1-OE1 3.36Å; F6-E199 WeakPolarHBondContact CE1-OE2 3.41Å; F6-E199 WeakPolarHBondContact CZ-OE1 3.44Å; F6-E199 WeakPolarHBondContact CZ-OE2 3.07Å; N195-E199 WeakPolarHBondContact O-CB 3.28Å; N195-E199 PolarHBondContact O-N 3.17Å; E199-I201 VanDerWaalsContact C-N 3.27Å; E199-I201 PolarHBondContact O-N 3.35Å; E199-Y202 PolarHBondContact O-N 2.83Å; E199-A203 PolarHBondContact O-N 2.94Å
200	P	80.8	Confident	73.5	Confident	69 Å²	69	64.9 Å²	64.9	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-31.7	179.6	-18.7	33.3	0	0	0	112.9	E196 Q197 I198 L204	E196-P200 WeakPolarHBondContact O-CD 3.48Å; Q197-P200 WeakPolarHBondContact O-CD 3.41Å; I198-P200 VanDerWaalsContact C-N 3.34Å; P200-L204 PolarHBondContact O-N 3.44Å
201	I	78.3	Confident	72.7	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-71.7	-43.1	176.2	-64.7	171.2	0	0	0	109	Q36 F41 L123 I198 E199 A203 L204 L205	Q36-I201 HydrophobicContact CG-CG1 4.26Å; F41-I201 HydrophobicContact CE2-CD1 4.23Å; L123-I201 HydrophobicContact CD1-CG2 4.28Å; I198-I201 HydrophobicContact CD1-CD1 4.32Å; I198-I201 WeakPolarHBondContact O-CA 3.36Å; I198-I201 WeakPolarHBondContact O-CB 3.24Å; I198-I201 PolarHBondContact O-N 3Å; E199-I201 VanDerWaalsContact C-N 3.27Å; E199-I201 PolarHBondContact O-N 3.35Å; I201-A203 PolarHBondContact O-N 2.91Å; I201-L204 PolarHBondContact O-N 3.27Å; I201-L205 HydrophobicContact CG2-CD1 3.56Å; I201-L205 WeakPolarHBondContact O-CD1 3.36Å; I201-L205 PolarHBondContact O-N 3.45Å
202	Y	75.3	Confident	71.3	Confident	22 Å²	22	65.7 Å²	65.7	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-38	176.3	-79.7	-55.1	0	0	0	113.7	F10 L123 I198 E199 L204 L205 R206	F10-Y202 AromaticContact CE2-CD1 3.52Å; F10-Y202 HydrophobicContact CE2-CD1 3.52Å; F10-Y202 HydrophobicContact CE2-CE1 4.01Å; F10-Y202 HydrophobicContact CE2-CG 4.33Å; F10-Y202 AromaticContact CZ-CD1 3.62Å; F10-Y202 HydrophobicContact CZ-CD1 3.62Å; F10-Y202 AromaticContact CZ-CE1 3.98Å; F10-Y202 HydrophobicContact CZ-CE1 3.98Å; L123-Y202 HydrophobicContact CB-CE1 4.23Å; L123-Y202 HydrophobicContact CD1-CD1 4.44Å; L123-Y202 HydrophobicContact CD1-CE1 3.95Å; I198-Y202 HydrophobicContact CB-CD2 4.33Å; I198-Y202 HydrophobicContact CB-CE2 4.17Å; I198-Y202 HydrophobicContact CG2-CD2 3.48Å; I198-Y202 VanDerWaalsContact CG2-CD2 3.48Å; I198-Y202 HydrophobicContact CG2-CE2 3.21Å; I198-Y202 HydrophobicContact CG2-CG 4.34Å; I198-Y202 PolarHBondContact O-N 3.21Å; E199-Y202 PolarHBondContact O-N 2.83Å; Y202-L204 VanDerWaalsContact C-N 3.27Å; Y202-L204 PolarHBondContact O-N 3.37Å; Y202-L205 PolarHBondContact O-N 3.17Å; Y202-R206 WeakPolarHBondContact O-CB 3.4Å; Y202-R206 PolarHBondContact O-N 3.32Å
203	A	79.7	Confident	70.1	Confident	50 Å²	50	63.9 Å²	63.9	41%	0.413	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-42.4	174	0	0	0	0	0	111.1	E199 I201 R206 E207	E199-A203 PolarHBondContact O-N 2.94Å; I201-A203 PolarHBondContact O-N 2.91Å; A203-R206 PolarHBondContact O-N 3.14Å; A203-E207 PolarHBondContact O-N 3.44Å
204	L	73.2	Confident	68.2	Low	5 Å²	5	57.2 Å²	57.2	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-71.3	-37.5	177.4	-170.9	62.2	0	0	0	113.1	R32 L33 P200 I201 Y202 R206 T208	R32-L204 HydrophobicContact CB-CD2 4.37Å; R32-L204 HydrophobicContact CG-CD2 4.07Å; L33-L204 HydrophobicContact CB-CD2 3.93Å; L33-L204 HydrophobicContact CB-CG 4.23Å; L33-L204 HydrophobicContact CD1-CD2 4.06Å; L33-L204 HydrophobicContact CD1-CG 4.3Å; P200-L204 PolarHBondContact O-N 3.44Å; I201-L204 PolarHBondContact O-N 3.27Å; Y202-L204 VanDerWaalsContact C-N 3.27Å; Y202-L204 PolarHBondContact O-N 3.37Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-T208 WeakPolarHBondContact O-CG2 3.27Å; L204-T208 PolarHBondContact O-N 3.26Å; L204-T208 VanDerWaalsContact O-N 3.16Å; L204-T208 PolarHBondContact O-OG1 3.42Å
205	L	74.7	Confident	66.6	Low	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-42	172.9	-95.8	80.4	0	0	0	111.1	L33 V119 K120 L123 I201 Y202 E207 T208 E209	L33-L205 HydrophobicContact CD1-CD1 3.36Å; L33-L205 HydrophobicContact CD1-CG 4.35Å; L33-L205 HydrophobicContact CD2-CD1 4.1Å; L33-L205 HydrophobicContact CD2-CG 4.24Å; L33-L205 HydrophobicContact CG-CD1 4.37Å; V119-L205 HydrophobicContact CG1-CD1 4.45Å; V119-L205 HydrophobicContact CG1-CD2 4.29Å; K120-L205 HydrophobicContact CG-CD2 4.11Å; L123-L205 HydrophobicContact CD1-CD1 4.23Å; L123-L205 HydrophobicContact CD1-CD2 3.61Å; I201-L205 HydrophobicContact CG2-CD1 3.56Å; I201-L205 WeakPolarHBondContact O-CD1 3.36Å; I201-L205 PolarHBondContact O-N 3.45Å; Y202-L205 PolarHBondContact O-N 3.17Å; L205-E207 PolarHBondContact O-N 3.34Å; L205-T208 WeakPolarHBondContact CA-OG1 3.05Å; L205-T208 CarbonylContact O-C 3.57Å; L205-T208 PolarHBondContact O-N 3.37Å; L205-T208 VanDerWaalsContact O-N 3.09Å; L205-T208 PolarHBondContact O-OG1 3.42Å; L205-E209 WeakPolarHBondContact O-CG 3.41Å; L205-E209 PolarHBondContact O-N 3.43Å
206	R	72.9	Confident	65	Low	83 Å²	83	64.8 Å²	64.8	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-41.6	-179.2	-158.2	-175.7	-44	-169	8	112.1	M9 Y202 A203 L204 T208 E209	M9-R206 PolarHBondContact SD-NH1 3.28Å; Y202-R206 WeakPolarHBondContact O-CB 3.4Å; Y202-R206 PolarHBondContact O-N 3.32Å; A203-R206 PolarHBondContact O-N 3.14Å; L204-R206 VanDerWaalsContact C-N 3.32Å; R206-T208 PolarHBondContact O-N 3.06Å; R206-E209 PolarHBondContact O-N 3.2Å
207	E	69.1	Low	63.5	Low	105 Å²	105	59.9 Å²	59.9	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-25.3	174.2	-171.5	178.6	-159.4	0	0	112.5	R32 A203 L205	R32-E207 IonicContact NH2-OE2 2.6Å; R32-E207 PolarHBondContact NH2-OE2 3.5Å; R32-E207 VanDerWaalsContact NH2-OE2 3.14Å; A203-E207 PolarHBondContact O-N 3.44Å; L205-E207 PolarHBondContact O-N 3.34Å
208	T	62.8	Low	62	Low	8 Å²	8	54.4 Å²	54.4	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-96.7	-9	178.1	51.2	0	0	0	0	114.2	L30 L204 L205 R206 I211	L30-T208 HydrophobicContact CG-CG2 4.48Å; L204-T208 WeakPolarHBondContact O-CG2 3.27Å; L204-T208 PolarHBondContact O-N 3.26Å; L204-T208 VanDerWaalsContact O-N 3.16Å; L204-T208 PolarHBondContact O-OG1 3.42Å; L205-T208 WeakPolarHBondContact CA-OG1 3.05Å; L205-T208 CarbonylContact O-C 3.57Å; L205-T208 PolarHBondContact O-N 3.37Å; L205-T208 VanDerWaalsContact O-N 3.09Å; L205-T208 PolarHBondContact O-OG1 3.42Å; R206-T208 PolarHBondContact O-N 3.06Å; T208-I211 PolarHBondContact O-N 3.34Å
209	E	57.4	Low	60.3	Low	70 Å²	70	60.2 Å²	60.2	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-71.2	-30.4	175.9	-91.1	-174.8	152.6	0	0	113	K120 L205 R206 I211	K120-E209 WeakPolarHBondContact CE-OE1 3.36Å; K120-E209 VanDerWaalsContact NZ-CG 3.28Å; K120-E209 IonicContact NZ-OE1 3.83Å; K120-E209 PolarHBondContact NZ-OE1 3.43Å; L205-E209 WeakPolarHBondContact O-CG 3.41Å; L205-E209 PolarHBondContact O-N 3.43Å; R206-E209 PolarHBondContact O-N 3.2Å; E209-I211 PolarHBondContact O-N 2.87Å
210	D	48.2	Very low	58.8	Low	146 Å²	146	59 Å²	59	78%	0.781	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.8	175.5	-66.2	-33	0	0	0	112.6	N212	D210-N212 PolarHBondContact O-N 2.94Å
211	I	53.2	Low	57.2	Low	48 Å²	48	60 Å²	60	25%	0.246	31%	0.306	C	S	.	.			trans	-100.7	87.6	-179	-51.6	173.9	0	0	0	109.1	L23 P27 T208 E209 L213	L23-I211 HydrophobicContact CD1-CG2 3.98Å; P27-I211 HydrophobicContact CG-CG2 3.93Å; T208-I211 PolarHBondContact O-N 3.34Å; E209-I211 PolarHBondContact O-N 2.87Å; I211-L213 PolarHBondContact O-N 3.43Å; I211-L213 VanDerWaalsContact O-N 3.12Å
212	N	44.3	Very low	55.5	Low	106 Å²	106	62.1 Å²	62.1	57%	0.567	32%	0.32	S	S	*	.			trans	-78.6	97.1	176.5	-157.5	36	0	0	0	110	P20 D210	P20-N212 HydrophobicContact CB-CB 4.21Å; D210-N212 PolarHBondContact O-N 2.94Å
213	L	49.8	Very low	54.1	Low	11 Å²	11	64 Å²	64	6%	0.058	33%	0.334	C	S	.	.			trans	-64.2	140.2	-176.7	-152.8	73.3	0	0	0	111.9	P27 L30 Y112 R113 I211 L217	P27-L213 VanDerWaalsContact CD-CD1 3.42Å; P27-L213 HydrophobicContact CG-CD1 3.78Å; L30-L213 HydrophobicContact CD1-CD1 3.81Å; L30-L213 HydrophobicContact CD1-CD2 4.17Å; L30-L213 HydrophobicContact CD1-CG 4.45Å; Y112-L213 HydrophobicContact CD2-CD2 4.23Å; Y112-L213 HydrophobicContact CG-CD2 4.13Å; R113-L213 PolarHBondContact NE-O 3.32Å; R113-L213 PolarHBondContact NH2-O 2.85Å; I211-L213 PolarHBondContact O-N 3.43Å; I211-L213 VanDerWaalsContact O-N 3.12Å; L213-L217 HydrophobicContact CD1-CD1 4.04Å; L213-L217 HydrophobicContact CD2-CB 4.24Å; L213-L217 HydrophobicContact CD2-CD1 3.84Å; L213-L217 HydrophobicContact CG-CD1 3.87Å
214	S	38.3	Very low	52.3	Low	17 Å²	17	67.4 Å²	67.4	12%	0.119	34%	0.342	C	S	.	.			trans	-62.1	155.6	-177.5	85.4	0	0	0	0	113.5	D216	S214-D216 PolarHBondContact O-N 2.9Å; S214-D216 PolarHBondContact OG-N 3.34Å
215	H	41.6	Very low	51	Low	112 Å²	112	67.4 Å²	67.4	52%	0.519	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-70.8	-15.9	177	-168.9	-70.4	0	0	0	112.6	R113 L217 L218	R113-H215 PolarHBondContact NH1-CD2 3.2Å; H215-L217 VanDerWaalsContact C-N 3.32Å; H215-L217 PolarHBondContact O-N 2.93Å; H215-L218 WeakPolarHBondContact O-CB 3.33Å; H215-L218 PolarHBondContact O-N 3.22Å
216	D	44.7	Very low	49.7	Very low	138 Å²	138	71.8 Å²	71.8	74%	0.738	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-73.2	-21.2	178.9	-80.6	-1	0	0	0	113.6	S214 L218	S214-D216 PolarHBondContact O-N 2.9Å; S214-D216 PolarHBondContact OG-N 3.34Å; D216-L218 VanDerWaalsContact C-N 3.31Å
217	L	49.1	Very low	48.3	Very low	39 Å²	39	70.8 Å²	70.8	20%	0.204	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-87.3	-1.5	169.4	-70.2	170.9	0	0	0	112.7	V26 L213 H215 E219	V26-L217 HydrophobicContact CG2-CD1 4.35Å; V26-L217 HydrophobicContact CG2-CD2 4.46Å; L213-L217 HydrophobicContact CD1-CD1 4.04Å; L213-L217 HydrophobicContact CD2-CB 4.24Å; L213-L217 HydrophobicContact CD2-CD1 3.84Å; L213-L217 HydrophobicContact CG-CD1 3.87Å; H215-L217 VanDerWaalsContact C-N 3.32Å; H215-L217 PolarHBondContact O-N 2.93Å; L217-E219 VanDerWaalsContact C-N 3.35Å
218	L	48.7	Very low	47.1	Very low	28 Å²	28	66.6 Å²	66.6	15%	0.147	36%	0.36	C	S	.	.	S	Bend	trans	-78.1	-27.5	-179.6	-156.2	70.8	0	0	0	111.9	N111 R113 H215 D216	N111-L218 WeakPolarHBondContact ND2-CD1 3.41Å; N111-L218 WeakPolarHBondContact ND2-CG 3.31Å; N111-L218 PolarHBondContact ND2-O 2.76Å; N111-L218 VanDerWaalsContact OD1-CD1 3.24Å; N111-L218 WeakPolarHBondContact OD1-CD1 3.21Å; R113-L218 HydrophobicContact CB-CD1 3.61Å; R113-L218 HydrophobicContact CG-CD1 3.64Å; H215-L218 WeakPolarHBondContact O-CB 3.33Å; H215-L218 PolarHBondContact O-N 3.22Å; D216-L218 VanDerWaalsContact C-N 3.31Å
219	E	44.3	Very low	46.5	Very low	131 Å²	131	70.4 Å²	70.4	61%	0.612	38%	0.376	S	S	*	.	S	Bend	trans	-147.8	67.9	-177.7	-61.5	-173.8	157.1	0	0	109.5	L217 E221	L217-E219 VanDerWaalsContact C-N 3.35Å; E219-E221 PolarHBondContact O-N 3.14Å
220	P	49.4	Very low	46.2	Very low	36 Å²	36	72.2 Å²	72.2	23%	0.234	39%	0.385	C	S	.	.			trans	-65.8	131.3	174.4	28	-31.1	0	0	0	108.8	F109	F109-P220 HydrophobicContact CB-CG 4.43Å; F109-P220 HydrophobicContact CD2-CG 4.21Å
221	E	45.2	Very low	45.9	Very low	90 Å²	90	67.7 Å²	67.7	42%	0.421	37%	0.365	S	S	.	.			trans	-59.9	146.2	164.2	-72.7	-164.9	136.1	0	0	110.2	E219 T223 W251	E219-E221 PolarHBondContact O-N 3.14Å; E221-T223 PolarHBondContact O-N 3.3Å; E221-T223 PolarHBondContact O-OG1 2.99Å; E221-W251 VanDerWaalsContact OE1-CE3 3.27Å; E221-W251 WeakPolarHBondContact OE1-CZ3 3.3Å
222	P	42.9	Very low	45.9	Very low	57 Å²	57	71 Å²	71	37%	0.37	37%	0.374	S	S	.	.			trans	-60.5	98.4	-169.5	25	-34.1	0	0	0	110.6	Y107	Y107-P222 HydrophobicContact CD1-CB 4.49Å
223	T	46.1	Very low	46.3	Very low	61 Å²	61	71 Å²	71	37%	0.374	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-88.9	116.4	175.9	1.1	0	0	0	0	108.5	C58 E221	C58-T223 WeakPolarHBondContact CB-O 3.34Å; E221-T223 PolarHBondContact O-N 3.3Å; E221-T223 PolarHBondContact O-OG1 2.99Å
224	E	42.1	Very low	46.3	Very low	123 Å²	123	78.3 Å²	78.3	58%	0.575	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-60.7	141.3	175.3	-63.1	-166.3	141.5	0	0	111.2	P226 R232	E224-P226 WeakPolarHBondContact O-CD 3.41Å; E224-R232 IonicContact OE1-NH1 2.78Å; E224-R232 PolarHBondContact OE1-NH1 3.42Å; E224-R232 VanDerWaalsContact OE1-NH1 3.08Å
225	I	45.5	Very low	46.5	Very low	5 Å²	5	80.2 Å²	80.2	3%	0.026	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.9	122.2	-175.8	-55.2	-177.2	0	0	0	110	N56 C58 V59 A227 L228 K229	N56-I225 HydrophobicContact CB-CB 4.4Å; N56-I225 HydrophobicContact CB-CD1 3.73Å; N56-I225 HydrophobicContact CB-CG1 3.81Å; N56-I225 HydrophobicContact CB-CG2 3.91Å; N56-I225 WeakPolarHBondContact ND2-CG2 3.39Å; N56-I225 WeakPolarHBondContact OD1-CG2 3.41Å; C58-I225 WeakPolarHBondContact O-CG1 3.44Å; V59-I225 HydrophobicContact CB-CD1 3.93Å; V59-I225 HydrophobicContact CG1-CD1 3.64Å; V59-I225 HydrophobicContact CG2-CD1 3.57Å; V59-I225 HydrophobicContact CG2-CG1 4.32Å; I225-A227 HydrophobicContact CG2-CB 4.11Å; I225-A227 PolarHBondContact O-N 3.1Å; I225-A227 VanDerWaalsContact O-N 3.16Å; I225-L228 HydrophobicContact CB-CB 4.1Å; I225-L228 HydrophobicContact CB-CD1 4.32Å; I225-L228 HydrophobicContact CB-CG 4.25Å; I225-L228 HydrophobicContact CD1-CD1 3.74Å; I225-L228 HydrophobicContact CD1-CG 4.42Å; I225-L228 HydrophobicContact CG1-CD1 4.47Å; I225-L228 HydrophobicContact CG2-CB 4.39Å; I225-L228 HydrophobicContact CG2-CG 4.23Å; I225-L228 CarbonylContact O-C 3.56Å; I225-L228 PolarHBondContact O-N 3.3Å; I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 PolarHBondContact O-N 3.06Å
226	P	48.5	Very low	46.6	Very low	93 Å²	93	77.4 Å²	77.4	60%	0.604	41%	0.41	S	S	*	.	H	α-helix	trans	-58.5	-32.7	-179.8	-25.4	33.6	0	0	0	114.2	E224 K229 Q230	E224-P226 WeakPolarHBondContact O-CD 3.41Å; P226-K229 WeakPolarHBondContact O-CB 3.34Å; P226-K229 PolarHBondContact O-N 3.27Å; P226-Q230 PolarHBondContact O-N 2.93Å
227	A	42.6	Very low	46.8	Very low	62 Å²	62	74.7 Å²	74.7	51%	0.512	41%	0.408	S	S	.	.	H	α-helix	trans	-71.7	-35.6	177.7	0	0	0	0	0	112.9	I225 S231	I225-A227 HydrophobicContact CG2-CB 4.11Å; I225-A227 PolarHBondContact O-N 3.1Å; I225-A227 VanDerWaalsContact O-N 3.16Å; A227-S231 PolarHBondContact O-N 3.34Å; A227-S231 VanDerWaalsContact O-N 3.12Å
228	L	45.1	Very low	46.4	Very low	17 Å²	17	77.2 Å²	77.2	9%	0.089	43%	0.434	C	S	.	.	H	α-helix	trans	-83.5	-20	172.1	-63	178.5	0	0	0	111.8	D63 L67 I225 S231 R232	D63-L228 HydrophobicContact CB-CD1 3.33Å; D63-L228 WeakPolarHBondContact OD2-CD1 3.07Å; L67-L228 HydrophobicContact CD1-CD1 4.37Å; L67-L228 HydrophobicContact CD2-CD2 4.31Å; I225-L228 HydrophobicContact CB-CB 4.1Å; I225-L228 HydrophobicContact CB-CD1 4.32Å; I225-L228 HydrophobicContact CB-CG 4.25Å; I225-L228 HydrophobicContact CD1-CD1 3.74Å; I225-L228 HydrophobicContact CD1-CG 4.42Å; I225-L228 HydrophobicContact CG1-CD1 4.47Å; I225-L228 HydrophobicContact CG2-CB 4.39Å; I225-L228 HydrophobicContact CG2-CG 4.23Å; I225-L228 CarbonylContact O-C 3.56Å; I225-L228 PolarHBondContact O-N 3.3Å; L228-S231 WeakPolarHBondContact CA-OG 3.36Å; L228-S231 WeakPolarHBondContact CD2-OG 3.39Å; L228-S231 PolarHBondContact O-OG 3.37Å; L228-R232 VanDerWaalsContact O-CA 3.29Å; L228-R232 WeakPolarHBondContact O-CA 3.4Å; L228-R232 WeakPolarHBondContact O-CB 3.3Å; L228-R232 PolarHBondContact O-N 2.89Å
229	K	50.1	Low	46.1	Very low	88 Å²	88	78.8 Å²	78.8	38%	0.383	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-46.9	166.4	-175.2	-179.3	170.6	-176.7	0	109.3	I225 P226 S231 R232 E233	I225-K229 WeakPolarHBondContact O-CB 3.41Å; I225-K229 PolarHBondContact O-N 3.06Å; P226-K229 WeakPolarHBondContact O-CB 3.34Å; P226-K229 PolarHBondContact O-N 3.27Å; K229-S231 PolarHBondContact O-N 2.93Å; K229-R232 CarbonylContact O-C 3.59Å; K229-R232 PolarHBondContact O-N 3.46Å; K229-E233 WeakPolarHBondContact CE-OE1 3.45Å; K229-E233 HydrophobicContact CG-CG 4.22Å; K229-E233 IonicContact NZ-OE1 2.76Å; K229-E233 WeakPolarHBondContact O-CA 3.48Å; K229-E233 WeakPolarHBondContact O-CB 3.38Å; K229-E233 WeakPolarHBondContact O-CG 3.47Å; K229-E233 PolarHBondContact O-N 3.36Å
230	Q	49.6	Very low	45.9	Very low	108 Å²	108	75.1 Å²	75.1	51%	0.505	45%	0.448	S	S	.	.	H	α-helix	trans	-69.6	-34	176.8	-164	176.1	57.8	0	0	113.1	P226 R234	P226-Q230 PolarHBondContact O-N 2.93Å; Q230-R234 WeakPolarHBondContact O-CB 3.27Å; Q230-R234 WeakPolarHBondContact O-CG 3.18Å; Q230-R234 PolarHBondContact O-N 3.48Å
231	S	42.8	Very low	45.5	Very low	52 Å²	52	81.7 Å²	81.7	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-78.1	-32.8	175.2	79.1	0	0	0	0	112.9	A227 L228 K229 A235	A227-S231 PolarHBondContact O-N 3.34Å; A227-S231 VanDerWaalsContact O-N 3.12Å; L228-S231 WeakPolarHBondContact CA-OG 3.36Å; L228-S231 WeakPolarHBondContact CD2-OG 3.39Å; L228-S231 PolarHBondContact O-OG 3.37Å; K229-S231 PolarHBondContact O-N 2.93Å; S231-A235 WeakPolarHBondContact O-CA 3.44Å; S231-A235 WeakPolarHBondContact O-CB 3.49Å; S231-A235 PolarHBondContact O-N 3.02Å
232	R	52.5	Low	45.2	Very low	117 Å²	117	81.3 Å²	81.3	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-78.9	-29.6	174.2	-171.1	177.4	-176.5	-169.6	-2.5	111.4	E224 L228 K229 A235 A236	E224-R232 IonicContact OE1-NH1 2.78Å; E224-R232 PolarHBondContact OE1-NH1 3.42Å; E224-R232 VanDerWaalsContact OE1-NH1 3.08Å; L228-R232 VanDerWaalsContact O-CA 3.29Å; L228-R232 WeakPolarHBondContact O-CA 3.4Å; L228-R232 WeakPolarHBondContact O-CB 3.3Å; L228-R232 PolarHBondContact O-N 2.89Å; K229-R232 CarbonylContact O-C 3.59Å; K229-R232 PolarHBondContact O-N 3.46Å; R232-A235 CarbonylContact O-C 3.49Å; R232-A236 VanDerWaalsContact O-CA 3.29Å; R232-A236 WeakPolarHBondContact O-CA 3.43Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 3.14Å
233	E	52.8	Low	44.8	Very low	105 Å²	105	83.4 Å²	83.4	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-75	-34.7	168	-78.8	168.6	162.1	0	0	110.2	K229 A236 A237	K229-E233 WeakPolarHBondContact CE-OE1 3.45Å; K229-E233 HydrophobicContact CG-CG 4.22Å; K229-E233 IonicContact NZ-OE1 2.76Å; K229-E233 WeakPolarHBondContact O-CA 3.48Å; K229-E233 WeakPolarHBondContact O-CB 3.38Å; K229-E233 WeakPolarHBondContact O-CG 3.47Å; K229-E233 PolarHBondContact O-N 3.36Å; E233-A236 CarbonylContact O-C 3.58Å; E233-A237 WeakPolarHBondContact O-CA 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.27Å; E233-A237 PolarHBondContact O-N 3.27Å
234	R	50	Low	44.2	Very low	165 Å²	165	84.4 Å²	84.4	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-71.6	-37	169	-77.8	176.8	-172.7	159	6.4	112.3	Q230 A238	Q230-R234 WeakPolarHBondContact O-CB 3.27Å; Q230-R234 WeakPolarHBondContact O-CG 3.18Å; Q230-R234 PolarHBondContact O-N 3.48Å; R234-A238 WeakPolarHBondContact O-CB 3.26Å; R234-A238 PolarHBondContact O-N 3.07Å
235	A	43.6	Very low	43.7	Very low	57 Å²	57	81.9 Å²	81.9	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-76.4	-29.7	175.8	0	0	0	0	0	111.9	S231 R232 A238 A239	S231-A235 WeakPolarHBondContact O-CA 3.44Å; S231-A235 WeakPolarHBondContact O-CB 3.49Å; S231-A235 PolarHBondContact O-N 3.02Å; R232-A235 CarbonylContact O-C 3.49Å; A235-A238 CarbonylContact O-C 3.59Å; A235-A238 PolarHBondContact O-N 3.47Å; A235-A239 WeakPolarHBondContact O-CA 3.47Å; A235-A239 WeakPolarHBondContact O-CB 3.4Å; A235-A239 PolarHBondContact O-N 3.28Å
236	A	42.8	Very low	43.5	Very low	53 Å²	53	87.6 Å²	87.6	44%	0.438	58%	0.583	S	S	.	*	H	α-helix	trans	-86.5	-16.8	171.7	0	0	0	0	0	112.3	R232 E233 A239 G240	R232-A236 VanDerWaalsContact O-CA 3.29Å; R232-A236 WeakPolarHBondContact O-CA 3.43Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 3.14Å; E233-A236 CarbonylContact O-C 3.58Å; A236-A239 CarbonylContact O-C 3.6Å; A236-G240 WeakPolarHBondContact O-CA 3.3Å; A236-G240 PolarHBondContact O-N 2.9Å
237	A	48.9	Very low	42.8	Very low	82 Å²	82	90.3 Å²	90.3	68%	0.678	59%	0.587	S	S	*	*	H	α-helix	trans	-78.2	-32.4	161.7	0	0	0	0	0	110.3	E233	E233-A237 WeakPolarHBondContact O-CA 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.27Å; E233-A237 PolarHBondContact O-N 3.27Å
238	A	41	Very low	42.6	Very low	91 Å²	91	97.2 Å²	97.2	75%	0.752	60%	0.6	S	S	*	*	H	α-helix	trans	-78.3	-24.7	171.3	0	0	0	0	0	113.3	R234 A235	R234-A238 WeakPolarHBondContact O-CB 3.26Å; R234-A238 PolarHBondContact O-N 3.07Å; A235-A238 CarbonylContact O-C 3.59Å; A235-A238 PolarHBondContact O-N 3.47Å
239	A	41.9	Very low	42.2	Very low	62 Å²	62	103.1 Å²	103.1	51%	0.512	63%	0.627	S	S	.	*	S	Bend	trans	-109.4	9.6	176.5	0	0	0	0	0	112.8	A235 A236 N241 A242	A235-A239 WeakPolarHBondContact O-CA 3.47Å; A235-A239 WeakPolarHBondContact O-CB 3.4Å; A235-A239 PolarHBondContact O-N 3.28Å; A236-A239 CarbonylContact O-C 3.6Å; A239-N241 PolarHBondContact O-N 2.93Å; A239-A242 PolarHBondContact O-N 2.82Å
240	G	40	Very low	41.6	Very low	53 Å²	53	102.1 Å²	102.1	55%	0.546	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	25.4	-173.5	0	0	0	0	0	115	A236	A236-G240 WeakPolarHBondContact O-CA 3.3Å; A236-G240 PolarHBondContact O-N 2.9Å
241	N	41.8	Very low	40.8	Very low	174 Å²	174	105.6 Å²	105.6	93%	0.93	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	8.4	169.3	-93.3	67.6	0	0	0	112.1	A239	A239-N241 PolarHBondContact O-N 2.93Å
242	A	39	Very low	40.4	Very low	82 Å²	82	108.3 Å²	108.3	68%	0.678	66%	0.663	S	S	*	*	S	Bend	trans	-149.8	114.6	177.8	0	0	0	0	0	114.1	A239	A239-A242 PolarHBondContact O-N 2.82Å
243	A	33.5	Very low	39.5	Very low	102 Å²	102	108.9 Å²	108.9	84%	0.843	68%	0.675	S	S	*	*			trans	75.7	125.1	165.7	0	0	0	0	0	116.8
244	G	33.7	Very low	39	Very low	81 Å²	81	114.1 Å²	114.1	84%	0.835	70%	0.696	S	S	*	*			cis	140.3	124.3	9.1	0	0	0	0	0	109.3
245	G	31.9	Very low	38.1	Very low	71 Å²	71	109.3 Å²	109.3	73%	0.732	70%	0.697	S	S	*	*			trans	109.4	120.2	163.4	0	0	0	0	0	117.3	H247	G245-H247 VanDerWaalsContact C-N 3.31Å; G245-H247 PolarHBondContact O-N 3.45Å; G245-H247 VanDerWaalsContact O-N 3.17Å
246	P	42.1	Very low	37.9	Very low	125 Å²	125	112.2 Å²	112.2	81%	0.812	72%	0.715	S	S	*	*			trans	-89.2	63.1	176.6	37.6	-32.2	0	0	0	110.4
247	H	32.9	Very low	37.8	Very low	149 Å²	149	115.4 Å²	115.4	69%	0.69	73%	0.728	S	S	*	*			trans	-129.1	81.1	166.1	-162.8	-99.1	0	0	0	109.2	G245 E249	G245-H247 VanDerWaalsContact C-N 3.31Å; G245-H247 PolarHBondContact O-N 3.45Å; G245-H247 VanDerWaalsContact O-N 3.17Å; H247-E249 VanDerWaalsContact CE1-CD 3.46Å; H247-E249 WeakPolarHBondContact CE1-CG 3.41Å; H247-E249 IonicContact CE1-OE1 3.96Å; H247-E249 PolarHBondContact CE1-OE1 3.01Å; H247-E249 IonicContact NE2-OE1 3.69Å
248	R	39.4	Very low	37.4	Very low	208 Å²	208	121.3 Å²	121.3	79%	0.785	74%	0.735	S	S	*	*			trans	-101.8	89.6	171.6	-170.6	-179.1	177.7	-159.3	-4.9	106.9	A250	R248-A250 HydrophobicContact CG-CB 4.05Å; R248-A250 PolarHBondContact O-N 3.4Å
249	E	36.8	Very low	37.4	Very low	141 Å²	141	121.9 Å²	121.9	66%	0.659	74%	0.74	S	S	*	*			trans	-67.2	71.7	161.3	-75	178.5	173.1	0	0	108.8	H247 W251	H247-E249 VanDerWaalsContact CE1-CD 3.46Å; H247-E249 WeakPolarHBondContact CE1-CG 3.41Å; H247-E249 IonicContact CE1-OE1 3.96Å; H247-E249 PolarHBondContact CE1-OE1 3.01Å; H247-E249 IonicContact NE2-OE1 3.69Å; E249-W251 PolarHBondContact O-N 3.46Å
250	A	36.9	Very low	37.4	Very low	67 Å²	67	125.2 Å²	125.2	55%	0.554	75%	0.749	S	S	*	*			trans	-80.5	94.1	167.5	0	0	0	0	0	107.2	R248 S252	R248-A250 HydrophobicContact CG-CB 4.05Å; R248-A250 PolarHBondContact O-N 3.4Å; A250-S252 PolarHBondContact O-N 3.13Å
251	W	32.6	Very low	37.6	Very low	180 Å²	180	127.8 Å²	127.8	68%	0.682	75%	0.749	S	S	*	*			trans	-58.7	124.6	172.4	-78	29.4	0	0	0	110	E221 E249 N253	E221-W251 VanDerWaalsContact OE1-CE3 3.27Å; E221-W251 WeakPolarHBondContact OE1-CZ3 3.3Å; E249-W251 PolarHBondContact O-N 3.46Å; W251-N253 PolarHBondContact O-N 2.75Å
252	S	34.8	Very low	37.7	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	74%	0.742	S	S	*	*			trans	-70.7	111.2	-178.9	179.2	0	0	0	0	110.3	A250 K254	A250-S252 PolarHBondContact O-N 3.13Å; S252-K254 PolarHBondContact O-N 2.98Å
253	N	33.2	Very low	38.3	Very low	130 Å²	130	131.3 Å²	131.3	70%	0.695	74%	0.742	S	S	*	*			trans	-73	113.8	170	-84.2	-30	0	0	0	109.3	W251 G255	W251-N253 PolarHBondContact O-N 2.75Å; N253-G255 VanDerWaalsContact C-N 3.27Å; N253-G255 PolarHBondContact O-N 2.56Å
254	K	42.9	Very low	38.7	Very low	214 Å²	214	133 Å²	133	93%	0.93	73%	0.732	S	S	*	*			trans	-68.6	84.3	172	-67.8	177.5	-179.2	177.7	0	110.1	S252	S252-K254 PolarHBondContact O-N 2.98Å
255	G	30.9	Very low	39.5	Very low	64 Å²	64	131.5 Å²	131.5	66%	0.66	71%	0.705	S	S	*	*			trans	-125.9	107.7	164.1	0	0	0	0	0	108.4	N253 T257	N253-G255 VanDerWaalsContact C-N 3.27Å; N253-G255 PolarHBondContact O-N 2.56Å; G255-T257 PolarHBondContact O-N 3.3Å
256	S	38.4	Very low	40.4	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	70%	0.702	S	S	*	*	S	Bend	trans	-37.3	116.3	177.8	-177.2	0	0	0	0	112.8
257	T	41.2	Very low	40.8	Very low	119 Å²	119	133 Å²	133	73%	0.73	70%	0.697	S	S	*	*	S	Bend		163.3	111.4	98.4	-42.1	0	0	0	0	107	G255	G255-T257 PolarHBondContact O-N 3.3Å
258	Y	41	Very low	41.7	Very low	207 Å²	207	131.9 Å²	131.9	81%	0.812	70%	0.695	S	S	*	*	S	Bend	trans	62.1	63.2	162	-150.4	-91.9	0	0	0	116.9
259	A	41.4	Very low	42.1	Very low	103 Å²	103	125.6 Å²	125.6	85%	0.851	68%	0.683	S	S	*	*			trans	-137.2	26.3	167.3	0	0	0	0	0	112
260	D	41.3	Very low	42.9	Very low	132 Å²	132	128.3 Å²	128.3	71%	0.706	70%	0.698	S	S	*	*			trans	-110.2	69.7	175.9	-155.5	19	0	0	0	108.1	Y262	D260-Y262 VanDerWaalsContact OD1-CD2 3.25Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; D260-Y262 WeakPolarHBondContact OD1-CE2 3.44Å
261	L	44.5	Very low	43.8	Very low	107 Å²	107	132.5 Å²	132.5	56%	0.56	71%	0.706	S	S	*	*			trans	-101.2	84.4	159.9	-75.7	163.4	0	0	0	104.7	I263	L261-I263 PolarHBondContact O-N 3.48Å
262	Y	43.1	Very low	44.5	Very low	197 Å²	197	129.7 Å²	129.7	77%	0.773	70%	0.701	S	S	*	*			trans	-49.2	115.6	163.2	-101.8	-100.2	0	0	0	107.7	D260 Q264	D260-Y262 VanDerWaalsContact OD1-CD2 3.25Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.47Å; D260-Y262 WeakPolarHBondContact OD1-CE2 3.44Å; Y262-Q264 PolarHBondContact O-N 3.14Å
263	I	52.1	Low	45	Very low	132 Å²	132	132.6 Å²	132.6	68%	0.677	70%	0.702	S	S	*	*			trans	36.6	82.4	165.1	-51	177.4	0	0	0	112.6	L261 N265	L261-I263 PolarHBondContact O-N 3.48Å; I263-N265 HydrophobicContact CG2-CB 4.06Å; I263-N265 WeakPolarHBondContact CG2-OD1 3.16Å; I263-N265 PolarHBondContact O-N 2.95Å
264	Q	40.7	Very low	45.6	Very low	138 Å²	138	133.1 Å²	133.1	65%	0.645	71%	0.705	S	S	*	*			trans	-90.3	62.6	165.8	-163.9	172.2	0.2	0	0	109	Y262 V266	Y262-Q264 PolarHBondContact O-N 3.14Å; Q264-V266 PolarHBondContact O-N 3.12Å
265	N	51.1	Low	45.8	Very low	50 Å²	50	128 Å²	128	27%	0.267	69%	0.688	S	S	.	*			trans	-71.3	120.6	168.4	-67.8	9.1	0	0	0	106.8	I263 V267 D460	I263-N265 HydrophobicContact CG2-CB 4.06Å; I263-N265 WeakPolarHBondContact CG2-OD1 3.16Å; I263-N265 PolarHBondContact O-N 2.95Å; N265-V267 PolarHBondContact O-N 2.98Å; N265-D460 PolarHBondContact ND2-O 3.12Å; N265-D460 PolarHBondContact ND2-OD1 3.01Å
266	V	51.8	Low	46.7	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.655	68%	0.681	S	S	*	*			trans	-88.7	94.5	174.9	-178.1	0	0	0	0	107	Q264 I268	Q264-V266 PolarHBondContact O-N 3.12Å; V266-I268 HydrophobicContact CG1-CD1 4.21Å; V266-I268 HydrophobicContact CG1-CG1 3.88Å; V266-I268 PolarHBondContact O-N 2.95Å
267	V	49.8	Very low	47	Very low	119 Å²	119	132.9 Å²	132.9	72%	0.721	68%	0.678	S	S	*	*			trans	-73.2	108.5	175.5	-178.3	0	0	0	0	108.6	N265	N265-V267 PolarHBondContact O-N 2.98Å
268	I	50.9	Low	47.4	Very low	126 Å²	126	136.2 Å²	136.2	65%	0.646	68%	0.677	S	S	*	*			trans	-105.2	91.5	172.8	-53.4	177.5	0	0	0	107.2	V266	V266-I268 HydrophobicContact CG1-CD1 4.21Å; V266-I268 HydrophobicContact CG1-CG1 3.88Å; V266-I268 PolarHBondContact O-N 2.95Å
269	S	48.5	Very low	47.7	Very low	76 Å²	76	133.8 Å²	133.8	53%	0.531	67%	0.673	S	S	.	*			trans	-105.4	125.1	172.9	177.8	0	0	0	0	109.7
270	M	53.4	Low	48	Very low	197 Å²	197	133.6 Å²	133.6	97%	0.97	66%	0.661	S	S	*	*	S	Bend	trans	-96.2	-1.4	179.5	-100.7	-178	149.6	0	0	113.9
271	E	55.3	Low	48.2	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.724	67%	0.665	S	S	*	*	S	Bend	trans	-118.3	-2.7	-166.3	-158.7	158.6	-170.4	0	0	115.2	Q273	E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 3.13Å; E271-Q273 VanDerWaalsContact O-N 3.13Å
272	E	48.5	Very low	48.3	Very low	121 Å²	121	137.9 Å²	137.9	57%	0.565	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	0.5	-169.6	-141.9	-177.2	-179.3	0	0	116	Q276	E272-Q276 HydrophobicContact CG-CG 4.43Å; E272-Q276 PolarHBondContact OE1-NE2 2.95Å
273	Q	44.5	Very low	48.5	Very low	171 Å²	171	131.5 Å²	131.5	80%	0.799	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-17.3	-163.9	-144.3	172.1	45.6	0	0	115.7	E271	E271-Q273 VanDerWaalsContact C-N 3.29Å; E271-Q273 PolarHBondContact O-N 3.13Å; E271-Q273 VanDerWaalsContact O-N 3.13Å
274	D	45.3	Very low	48	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-25.2	-173.8	-89.6	-27.1	0	0	0	115.5
275	D	48.9	Very low	48.5	Very low	107 Å²	107	131.2 Å²	131.2	57%	0.572	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-26.1	-173.8	-78	-48.6	0	0	0	115.5	K277 R278 Q279	D275-K277 PolarHBondContact O-N 3.19Å; D275-R278 PolarHBondContact O-N 3.29Å; D275-R278 VanDerWaalsContact O-N 3.1Å; D275-Q279 PolarHBondContact O-N 3.14Å
276	Q	49	Very low	48.8	Very low	110 Å²	110	134.8 Å²	134.8	51%	0.514	70%	0.701	S	S	.	*	H	α-helix	trans	-63.3	-28.3	179.5	-79.4	-174.9	1.7	0	0	113.1	E272 R278 V280	E272-Q276 HydrophobicContact CG-CG 4.43Å; E272-Q276 PolarHBondContact OE1-NE2 2.95Å; Q276-R278 VanDerWaalsContact C-N 3.33Å; Q276-R278 PolarHBondContact O-N 3.2Å; Q276-V280 VanDerWaalsContact O-CG2 3.27Å; Q276-V280 WeakPolarHBondContact O-CG2 3.39Å
277	K	45.3	Very low	48.9	Very low	175 Å²	175	138.6 Å²	138.6	76%	0.761	71%	0.709	S	S	*	*	H	α-helix	trans	-74.6	-20.8	177.6	-77.5	174.5	-177.1	161.7	0	113.5	D275	D275-K277 PolarHBondContact O-N 3.19Å
278	R	48.3	Very low	49.4	Very low	190 Å²	190	142 Å²	142	72%	0.717	72%	0.717	S	S	*	*	H	α-helix	trans	-86.8	-41.4	179.8	-69.1	-177.6	177.2	-171.2	2.4	112.1	D275 Q276 V280 N281	D275-R278 PolarHBondContact O-N 3.29Å; D275-R278 VanDerWaalsContact O-N 3.1Å; Q276-R278 VanDerWaalsContact C-N 3.33Å; Q276-R278 PolarHBondContact O-N 3.2Å; R278-V280 PolarHBondContact O-N 3.37Å; R278-N281 PolarHBondContact O-N 3.2Å
279	Q	47.7	Very low	49.9	Very low	156 Å²	156	145.6 Å²	145.6	73%	0.729	72%	0.722	S	S	*	*	H	α-helix	trans	-69.8	-31.1	-179.5	-77.7	-172.3	27.5	0	0	114.5	D275 N281 E282	D275-Q279 PolarHBondContact O-N 3.14Å; Q279-N281 PolarHBondContact O-N 2.91Å; Q279-N281 VanDerWaalsContact O-N 3.12Å; Q279-E282 PolarHBondContact O-N 3.49Å
280	V	48.5	Very low	50.4	Low	98 Å²	98	145.2 Å²	145.2	59%	0.594	72%	0.718	S	S	*	*	H	α-helix	trans	-63.7	-20.8	178.9	173.7	0	0	0	0	112.6	Q276 R278	Q276-V280 VanDerWaalsContact O-CG2 3.27Å; Q276-V280 WeakPolarHBondContact O-CG2 3.39Å; R278-V280 PolarHBondContact O-N 3.37Å
281	N	44.2	Very low	50.6	Low	147 Å²	147	140.3 Å²	140.3	79%	0.786	70%	0.699	S	S	*	*	H	α-helix	trans	-95.2	-20.5	-174.8	-131.8	10.2	0	0	0	114.2	R278 Q279	R278-N281 PolarHBondContact O-N 3.2Å; Q279-N281 PolarHBondContact O-N 2.91Å; Q279-N281 VanDerWaalsContact O-N 3.12Å
282	E	47.4	Very low	50.7	Low	183 Å²	183	142.6 Å²	142.6	86%	0.855	70%	0.701	S	S	*	*	H	α-helix	trans	-99.4	-16	-178.3	-65.7	-152.9	137.3	0	0	114.1	Q279	Q279-E282 PolarHBondContact O-N 3.49Å
283	G	47.8	Very low	51.3	Low	62 Å²	62	142 Å²	142	64%	0.639	70%	0.701	S	S	*	*	S	Bend	trans	-89.1	5.8	-175.5	0	0	0	0	0	117.4	P285	G283-P285 VanDerWaalsContact O-CD 3.31Å; G283-P285 WeakPolarHBondContact O-CD 2.82Å
284	K	40.2	Very low	52.1	Low	159 Å²	159	138.8 Å²	138.8	69%	0.691	69%	0.693	S	S	*	*			trans	-109.7	94.8	179.2	-89.9	158.8	-176.3	155.7	0	111.3
285	P	51.8	Low	52.4	Low	106 Å²	106	138.9 Å²	138.9	69%	0.688	69%	0.689	S	S	*	*			trans	-57.7	138.8	161.7	25.1	-32.3	0	0	0	108.8	G283 K287	G283-P285 VanDerWaalsContact O-CD 3.31Å; G283-P285 WeakPolarHBondContact O-CD 2.82Å; P285-K287 PolarHBondContact O-N 3.19Å
286	P	57.8	Low	52.9	Low	124 Å²	124	139.1 Å²	139.1	81%	0.805	70%	0.699	S	S	*	*			trans	-60.8	114.6	-176.8	24.4	-32.3	0	0	0	108.9	E288	P286-E288 PolarHBondContact O-N 3.33Å
287	K	54.6	Low	53.1	Low	189 Å²	189	141 Å²	141	82%	0.822	72%	0.718	S	S	*	*			trans	-54.9	106.2	176.7	-69.3	178.5	176.2	-176.8	0	108.9	P285 R289	P285-K287 PolarHBondContact O-N 3.19Å; K287-R289 PolarHBondContact O-N 2.6Å
288	E	60.2	Low	53.1	Low	190 Å²	190	138.4 Å²	138.4	89%	0.888	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-61.3	124	173.7	-79.5	-170.9	155.3	0	0	109.2	P286	P286-E288 PolarHBondContact O-N 3.33Å
289	R	61	Low	52.6	Low	201 Å²	201	139 Å²	139	76%	0.758	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-77.8	128.3	-177.8	-63.8	-179.1	179.5	-178.1	-0.8	108.7	K287	K287-R289 PolarHBondContact O-N 2.6Å
290	P	58.6	Low	52.6	Low	69 Å²	69	135 Å²	135	45%	0.448	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-68.5	149.3	-174.3	27	-35.2	0	0	0	112.6	W292 L293	P290-W292 HydrophobicContact CG-CZ2 4.39Å; P290-W292 PolarHBondContact O-N 2.95Å; P290-L293 PolarHBondContact O-N 3.23Å
291	V	56.9	Low	51.9	Low	94 Å²	94	135 Å²	135	57%	0.57	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-57.3	-22.3	-165.8	175.6	0	0	0	0	115.3	L293 T294 Q295	V291-L293 VanDerWaalsContact C-N 3.26Å; V291-L293 PolarHBondContact O-N 3.35Å; V291-T294 WeakPolarHBondContact CA-OG1 3.15Å; V291-T294 PolarHBondContact O-N 3.41Å; V291-T294 PolarHBondContact O-OG1 2.97Å; V291-T294 VanDerWaalsContact O-OG1 3.12Å; V291-Q295 HydrophobicContact CG1-CB 4.49Å; V291-Q295 HydrophobicContact CG1-CG 4.2Å; V291-Q295 PolarHBondContact O-N 2.99Å
292	W	58.3	Low	51.5	Low	202 Å²	202	137.6 Å²	137.6	77%	0.765	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-74.7	-13.6	177.6	61	-81.5	0	0	0	113.9	P290	P290-W292 HydrophobicContact CG-CZ2 4.39Å; P290-W292 PolarHBondContact O-N 2.95Å
293	L	60.9	Low	50.8	Low	110 Å²	110	135.8 Å²	135.8	58%	0.576	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-86.8	-19	169.4	-121.3	81.9	0	0	0	112.6	P290 V291	P290-L293 PolarHBondContact O-N 3.23Å; V291-L293 VanDerWaalsContact C-N 3.26Å; V291-L293 PolarHBondContact O-N 3.35Å
294	T	60.5	Low	50.1	Low	102 Å²	102	141.5 Å²	141.5	63%	0.626	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-20.1	-176.6	45.1	0	0	0	0	113.8	V291	V291-T294 WeakPolarHBondContact CA-OG1 3.15Å; V291-T294 PolarHBondContact O-N 3.41Å; V291-T294 PolarHBondContact O-OG1 2.97Å; V291-T294 VanDerWaalsContact O-OG1 3.12Å
295	Q	52.7	Low	50.7	Low	143 Å²	143	138.8 Å²	138.8	67%	0.668	74%	0.744	S	S	*	*			trans	-120.1	107.2	178.2	-64.7	-171.6	0.6	0	0	111.3	V291	V291-Q295 HydrophobicContact CG1-CB 4.49Å; V291-Q295 HydrophobicContact CG1-CG 4.2Å; V291-Q295 PolarHBondContact O-N 2.99Å
296	S	59.9	Low	49.5	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	75%	0.751	S	S	*	*			trans	-84.9	122.5	171.2	-169.4	0	0	0	0	110.4	V298	S296-V298 VanDerWaalsContact C-N 3.29Å; S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.12Å
297	T	52.5	Low	48.3	Very low	148 Å²	148	138.4 Å²	138.4	91%	0.908	74%	0.739	S	S	*	*			trans	-83.8	61	178	13.5	0	0	0	0	112.2
298	V	46.2	Very low	47.2	Very low	122 Å²	122	137 Å²	137	74%	0.739	74%	0.739	S	S	*	*			trans	-125.9	113.6	162.8	179	0	0	0	0	108.9	S296 G300	S296-V298 VanDerWaalsContact C-N 3.29Å; S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.12Å; V298-G300 PolarHBondContact O-N 2.93Å
299	Q	36.9	Very low	45.8	Very low	201 Å²	201	136.8 Å²	136.8	94%	0.939	74%	0.735	S	S	*	*			trans	-63.2	125.6	173.5	-78.5	173.1	-16.9	0	0	110.5
300	G	47.8	Very low	44.2	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	74%	0.735	S	S	*	*			trans	113.8	56.6	156.3	0	0	0	0	0	117.3	V298	V298-G300 PolarHBondContact O-N 2.93Å
301	A	33.8	Very low	42.8	Very low	97 Å²	97	140.6 Å²	140.6	80%	0.802	76%	0.757	S	S	*	*			trans	-151.5	106.8	147.1	0	0	0	0	0	109.5
302	Y	35	Very low	41.5	Very low	202 Å²	202	139.2 Å²	139.2	79%	0.792	76%	0.762	S	S	*	*			trans	-72.4	138.1	175.8	32.4	-96.4	0	0	0	111.1
303	N	33.5	Very low	40.2	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	76%	0.762	S	S	*	*				165.5	117.3	114.7	-81.7	-29.2	0	0	0	111.8
304	E	33	Very low	38.9	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	77%	0.769	S	S	*	*			trans	-74	172.2	143.4	-92.1	-151.9	121.4	0	0	109.6
305	P	52.2	Low	37.5	Very low	103 Å²	103	137.6 Å²	137.6	67%	0.669	78%	0.777	S	S	*	*			cis	-131.7	-179.3	-41	34.8	-16.9	0	0	0	111.5
306	D	27.7	Very low	36.5	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	79%	0.786	S	S	*	*			trans	93.3	134.7	146.2	-143.6	19.1	0	0	0	122.5
307	A	32.1	Very low	35	Very low	66 Å²	66	134.2 Å²	134.2	55%	0.545	79%	0.788	S	S	.	*			trans	42.3	130.5	151.4	0	0	0	0	0	124.5
308	L	32.3	Very low	33.8	Very low	158 Å²	158	132.2 Å²	132.2	83%	0.827	79%	0.786	S	S	*	*			trans	92.5	132.3	133.3	-83.8	154.2	0	0	0	121.5
309	K	30.9	Very low	33.1	Very low	186 Å²	186	135.2 Å²	135.2	81%	0.809	79%	0.793	S	S	*	*			trans	88.7	102.5	159.4	-69	170.4	178.3	172.4	0	116.5
310	S	25.9	Very low	32.6	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	79%	0.79	S	S	*	*				73.4	119.5	75.4	-173.6	0	0	0	0	112.8
311	R	28.9	Very low	31.7	Very low	241 Å²	241	133.5 Å²	133.5	91%	0.909	79%	0.789	S	S	*	*				155.4	131.2	106.9	-177.3	157.2	160.9	172.8	-8.3	114.5
312	G	30.7	Very low	31.8	Very low	65 Å²	65	133.5 Å²	133.5	67%	0.67	79%	0.79	S	S	*	*			trans	93.4	130.5	149.8	0	0	0	0	0	115.3
313	D	30.4	Very low	31.7	Very low	143 Å²	143	130 Å²	130	77%	0.765	79%	0.789	S	S	*	*			cis	-167.3	142	16.4	-118.1	-4.3	0	0	0	112.3
314	I	33.3	Very low	32	Very low	142 Å²	142	126.4 Å²	126.4	73%	0.728	79%	0.787	S	S	*	*			trans	59.3	120.2	131.4	-60.1	172.5	0	0	0	117.8
315	A	31.8	Very low	32.2	Very low	95 Å²	95	126.1 Å²	126.1	79%	0.785	79%	0.785	S	S	*	*			cis	115.3	125.3	28.2	0	0	0	0	0	111.2
316	A	30.9	Very low	31.8	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	80%	0.798	S	S	*	*			trans	168.2	120.3	142	0	0	0	0	0	106.9
317	G	28.3	Very low	32.5	Very low	80 Å²	80	122.2 Å²	122.2	83%	0.825	79%	0.792	S	S	*	*			cis	104.7	83.3	20.1	0	0	0	0	0	110.3
318	A	28.1	Very low	33.2	Very low	105 Å²	105	121.9 Å²	121.9	87%	0.868	80%	0.795	S	S	*	*			trans	-159.9	100.2	154.2	0	0	0	0	0	110
319	Q	31.5	Very low	34.2	Very low	186 Å²	186	122.3 Å²	122.3	87%	0.869	79%	0.792	S	S	*	*			trans	-85.5	138.9	158.6	-61.6	172.4	5.9	0	0	106.9
320	D	27.4	Very low	35.3	Very low	165 Å²	165	117.7 Å²	117.7	88%	0.882	79%	0.789	S	S	*	*				176.3	137.8	116.7	-106.1	-27.2	0	0	0	111.6
321	G	28.2	Very low	36.9	Very low	72 Å²	72	116.9 Å²	116.9	74%	0.742	78%	0.776	S	S	*	*			trans	161.6	37.1	177.8	0	0	0	0	0	114	T323	G321-T323 PolarHBondContact O-N 3.4Å
322	A	35.6	Very low	38.9	Very low	98 Å²	98	110.8 Å²	110.8	81%	0.81	76%	0.758	S	S	*	*			trans	-73.5	106.9	169.2	0	0	0	0	0	109.9
323	T	32.6	Very low	40.7	Very low	128 Å²	128	113.9 Å²	113.9	79%	0.785	76%	0.759	S	S	*	*			trans	-116.3	88.3	152.8	49.3	0	0	0	0	108	G321 H325	G321-T323 PolarHBondContact O-N 3.4Å; T323-H325 PolarHBondContact O-N 2.97Å
324	G	40.3	Very low	42.9	Very low	70 Å²	70	112.2 Å²	112.2	72%	0.722	75%	0.747	S	S	*	*			trans	-71.5	113.7	157.4	0	0	0	0	0	108.1
325	H	36.1	Very low	45.2	Very low	176 Å²	176	111.5 Å²	111.5	82%	0.815	74%	0.74	S	S	*	*			trans	-122.8	98.6	156.1	-82.6	36.1	0	0	0	106.3	T323 A327	T323-H325 PolarHBondContact O-N 2.97Å; H325-A327 PolarHBondContact O-N 3.25Å
326	G	44.3	Very low	47.5	Very low	90 Å²	90	110.9 Å²	110.9	93%	0.928	73%	0.727	S	S	*	*			trans	-74.2	106.7	159	0	0	0	0	0	107.9
327	A	43.4	Very low	49.7	Very low	87 Å²	87	111.8 Å²	111.8	72%	0.719	71%	0.714	S	S	*	*			trans	-136.6	129	159.3	0	0	0	0	0	105.8	H325	H325-A327 PolarHBondContact O-N 3.25Å
328	G	45.8	Very low	52.1	Low	58 Å²	58	114.4 Å²	114.4	60%	0.598	70%	0.699	S	S	*	*			trans	-65.5	143.1	-169.4	0	0	0	0	0	112.8	A330 D331	G328-A330 PolarHBondContact O-N 3.01Å; G328-D331 PolarHBondContact O-N 3.45Å
329	Q	54.3	Low	54.5	Low	167 Å²	167	111.9 Å²	111.9	78%	0.78	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-9.1	175.5	-70.4	171.9	-57.6	0	0	115.2
330	A	54	Low	56.7	Low	90 Å²	90	108.6 Å²	108.6	74%	0.744	67%	0.667	S	S	*	*	H	α-helix	trans	-73.1	-28	179.2	0	0	0	0	0	113.7	G328	G328-A330 PolarHBondContact O-N 3.01Å
331	D	59.5	Low	59.2	Low	92 Å²	92	105.5 Å²	105.5	49%	0.492	65%	0.649	S	S	.	*	H	α-helix	trans	-86.4	-21.2	-177.8	-147.3	-0.2	0	0	0	112	G328 N333 E334 E335	G328-D331 PolarHBondContact O-N 3.45Å; D331-N333 PolarHBondContact O-N 2.91Å; D331-E334 PolarHBondContact O-N 3.02Å; D331-E335 WeakPolarHBondContact O-CB 3.41Å; D331-E335 PolarHBondContact O-N 3.34Å
332	E	71.1	Confident	61.6	Low	113 Å²	113	107.3 Å²	107.3	53%	0.528	64%	0.641	S	S	.	*	H	α-helix	trans	-63.9	-40.9	-176.9	-63.1	-177.8	144.8	0	0	111.7	V336	E332-V336 VanDerWaalsContact O-CB 3.28Å; E332-V336 WeakPolarHBondContact O-CB 3.38Å; E332-V336 WeakPolarHBondContact O-CG2 3.43Å; E332-V336 PolarHBondContact O-N 2.71Å
333	N	68.2	Low	63.3	Low	130 Å²	130	109.4 Å²	109.4	70%	0.695	63%	0.634	S	S	*	*	H	α-helix	trans	-71.1	-34.6	-178.5	-138.2	23.8	0	0	0	112.1	D331 M337	D331-N333 PolarHBondContact O-N 2.91Å; N333-M337 WeakPolarHBondContact O-CB 3.47Å; N333-M337 PolarHBondContact O-N 3.41Å
334	E	76.7	Confident	65.3	Low	108 Å²	108	109.3 Å²	109.3	51%	0.505	62%	0.624	S	S	.	*	H	α-helix	trans	-77.5	-36	178	-146.2	-166.6	132.7	0	0	111.8	D331 R338	D331-E334 PolarHBondContact O-N 3.02Å; E334-R338 VanDerWaalsContact CD-NH2 3.34Å; E334-R338 WeakPolarHBondContact O-CB 3.42Å; E334-R338 PolarHBondContact O-N 3Å; E334-R338 IonicContact OE1-CZ 3.88Å; E334-R338 IonicContact OE1-NE 3.63Å; E334-R338 IonicContact OE1-NH2 3.14Å; E334-R338 PolarHBondContact OE1-NH2 3.47Å; E334-R338 IonicContact OE2-NH2 3.08Å
335	E	81	Confident	66.6	Low	126 Å²	126	113.8 Å²	113.8	59%	0.589	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-39.6	174.6	-170.9	170.4	-160.3	0	0	111.7	D331 R338 A339	D331-E335 WeakPolarHBondContact O-CB 3.41Å; D331-E335 PolarHBondContact O-N 3.34Å; E335-R338 PolarHBondContact O-N 3.07Å; E335-A339 VanDerWaalsContact O-CB 3.32Å; E335-A339 WeakPolarHBondContact O-CB 3.3Å; E335-A339 PolarHBondContact O-N 3.03Å
336	V	81	Confident	67.8	Low	82 Å²	82	114.5 Å²	114.5	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-63.2	-44.5	173.4	169	0	0	0	0	111	E332 R338 A339 L340	E332-V336 VanDerWaalsContact O-CB 3.28Å; E332-V336 WeakPolarHBondContact O-CB 3.38Å; E332-V336 WeakPolarHBondContact O-CG2 3.43Å; E332-V336 PolarHBondContact O-N 2.71Å; V336-R338 PolarHBondContact O-N 2.87Å; V336-A339 PolarHBondContact O-N 3.12Å; V336-L340 HydrophobicContact CG1-CD1 4.09Å; V336-L340 WeakPolarHBondContact O-CG 3.33Å; V336-L340 PolarHBondContact O-N 3.27Å
337	M	77.1	Confident	68.4	Low	124 Å²	124	114.1 Å²	114.1	61%	0.611	61%	0.607	S	S	*	*	H	α-helix	trans	-64.8	-38.8	177	-164.5	179.6	-67.2	0	0	112.1	N333 L341	N333-M337 WeakPolarHBondContact O-CB 3.47Å; N333-M337 PolarHBondContact O-N 3.41Å; M337-L341 PolarHBondContact O-N 2.8Å
338	R	78.7	Confident	68.9	Low	135 Å²	135	116.2 Å²	116.2	51%	0.509	61%	0.611	S	S	.	*	H	α-helix	trans	-67.3	-40.7	173.7	-86.1	-173.2	-114	155.6	-0.8	112.8	E334 E335 V336 L340 L341 I342	E334-R338 VanDerWaalsContact CD-NH2 3.34Å; E334-R338 WeakPolarHBondContact O-CB 3.42Å; E334-R338 PolarHBondContact O-N 3Å; E334-R338 IonicContact OE1-CZ 3.88Å; E334-R338 IonicContact OE1-NE 3.63Å; E334-R338 IonicContact OE1-NH2 3.14Å; E334-R338 PolarHBondContact OE1-NH2 3.47Å; E334-R338 IonicContact OE2-NH2 3.08Å; E335-R338 PolarHBondContact O-N 3.07Å; V336-R338 PolarHBondContact O-N 2.87Å; R338-L340 VanDerWaalsContact C-N 3.34Å; R338-L341 PolarHBondContact O-N 3.39Å; R338-I342 VanDerWaalsContact O-CG1 3.3Å; R338-I342 WeakPolarHBondContact O-CG1 3.3Å; R338-I342 PolarHBondContact O-N 3.29Å; R338-I342 VanDerWaalsContact O-N 3.1Å
339	A	78.4	Confident	69.5	Low	53 Å²	53	117.6 Å²	117.6	44%	0.438	62%	0.617	S	S	.	*	H	α-helix	trans	-63.9	-39.7	178.1	0	0	0	0	0	111.9	E335 V336 I342 H343	E335-A339 VanDerWaalsContact O-CB 3.32Å; E335-A339 WeakPolarHBondContact O-CB 3.3Å; E335-A339 PolarHBondContact O-N 3.03Å; V336-A339 PolarHBondContact O-N 3.12Å; A339-I342 PolarHBondContact O-N 3Å; A339-H343 PolarHBondContact O-N 3.02Å; A339-H343 VanDerWaalsContact O-N 3.15Å
340	L	78.1	Confident	68.8	Low	117 Å²	117	112.5 Å²	112.5	61%	0.613	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-44	174.6	-74.7	166.6	0	0	0	112	V336 R338 I342 H343 E344	V336-L340 HydrophobicContact CG1-CD1 4.09Å; V336-L340 WeakPolarHBondContact O-CG 3.33Å; V336-L340 PolarHBondContact O-N 3.27Å; R338-L340 VanDerWaalsContact C-N 3.34Å; L340-I342 PolarHBondContact O-N 3.22Å; L340-H343 PolarHBondContact O-N 3.43Å; L340-E344 PolarHBondContact O-N 3.03Å
341	L	78.3	Confident	68.5	Low	99 Å²	99	113 Å²	113	52%	0.518	61%	0.613	S	S	.	*	H	α-helix	trans	-62.8	-37.9	176	-111.7	106.7	0	0	0	113.3	M337 R338 H343 E344 K345	M337-L341 PolarHBondContact O-N 2.8Å; R338-L341 PolarHBondContact O-N 3.39Å; L341-H343 VanDerWaalsContact C-N 3.29Å; L341-H343 PolarHBondContact O-N 2.76Å; L341-E344 PolarHBondContact O-N 3.06Å; L341-K345 WeakPolarHBondContact O-CB 3.26Å; L341-K345 PolarHBondContact O-N 3.43Å
342	I	79.1	Confident	67.7	Low	111 Å²	111	112.4 Å²	112.4	57%	0.569	63%	0.629	S	S	*	*	H	α-helix	trans	-65.8	-37.4	177.4	-67.2	163.6	0	0	0	110.4	R338 A339 L340 K345 R346	R338-I342 VanDerWaalsContact O-CG1 3.3Å; R338-I342 WeakPolarHBondContact O-CG1 3.3Å; R338-I342 PolarHBondContact O-N 3.29Å; R338-I342 VanDerWaalsContact O-N 3.1Å; A339-I342 PolarHBondContact O-N 3Å; L340-I342 PolarHBondContact O-N 3.22Å; I342-K345 PolarHBondContact O-N 3.43Å; I342-R346 VanDerWaalsContact O-CB 3.3Å; I342-R346 WeakPolarHBondContact O-CB 3.27Å; I342-R346 PolarHBondContact O-N 3.14Å
343	H	70.9	Confident	66.2	Low	141 Å²	141	114.1 Å²	114.1	65%	0.653	65%	0.647	S	S	*	*	H	α-helix	trans	-70.1	-36.9	177.2	-119.2	-109.4	0	0	0	112.4	A339 L340 L341 R346 A347	A339-H343 PolarHBondContact O-N 3.02Å; A339-H343 VanDerWaalsContact O-N 3.15Å; L340-H343 PolarHBondContact O-N 3.43Å; L341-H343 VanDerWaalsContact C-N 3.29Å; L341-H343 PolarHBondContact O-N 2.76Å; H343-R346 PolarHBondContact O-N 3.18Å; H343-A347 WeakPolarHBondContact O-CB 3.33Å; H343-A347 PolarHBondContact O-N 2.78Å
344	E	75.5	Confident	64.6	Low	126 Å²	126	111.3 Å²	111.3	59%	0.589	65%	0.648	S	S	*	*	H	α-helix	trans	-60.8	-46.1	170.9	121.7	-177.3	166.1	0	0	111.1	L340 L341 R346 A347 V348	L340-E344 PolarHBondContact O-N 3.03Å; L341-E344 PolarHBondContact O-N 3.06Å; E344-R346 VanDerWaalsContact C-N 3.32Å; E344-R346 PolarHBondContact O-N 3.03Å; E344-A347 PolarHBondContact O-N 3.42Å; E344-V348 WeakPolarHBondContact O-CG2 3.34Å; E344-V348 PolarHBondContact O-N 3.29Å
345	K	67.8	Low	62.5	Low	165 Å²	165	110.1 Å²	110.1	72%	0.717	67%	0.665	S	S	*	*	H	α-helix	trans	-71.4	-28.9	-177	-171.4	171.3	179.3	173.8	0	112.3	L341 I342	L341-K345 WeakPolarHBondContact O-CB 3.26Å; L341-K345 PolarHBondContact O-N 3.43Å; I342-K345 PolarHBondContact O-N 3.43Å
346	R	59.9	Low	60.1	Low	191 Å²	191	109.2 Å²	109.2	72%	0.721	68%	0.679	S	S	*	*	H	α-helix	trans	-79.4	-30.9	175.7	-165.7	168.1	-174.7	170.3	-0.2	112.6	I342 H343 E344 V348 A349	I342-R346 VanDerWaalsContact O-CB 3.3Å; I342-R346 WeakPolarHBondContact O-CB 3.27Å; I342-R346 PolarHBondContact O-N 3.14Å; H343-R346 PolarHBondContact O-N 3.18Å; E344-R346 VanDerWaalsContact C-N 3.32Å; E344-R346 PolarHBondContact O-N 3.03Å; R346-V348 PolarHBondContact O-N 3.41Å; R346-A349 PolarHBondContact O-N 2.83Å
347	A	56.7	Low	57.8	Low	81 Å²	81	111 Å²	111	67%	0.669	70%	0.695	S	S	*	*	H	α-helix	trans	-63.8	-29.8	171.3	0	0	0	0	0	112.3	H343 E344	H343-A347 WeakPolarHBondContact O-CB 3.33Å; H343-A347 PolarHBondContact O-N 2.78Å; E344-A347 PolarHBondContact O-N 3.42Å
348	V	55.5	Low	56	Low	131 Å²	131	109.5 Å²	109.5	79%	0.794	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-17.7	176.8	177.4	0	0	0	0	113.4	E344 R346	E344-V348 WeakPolarHBondContact O-CG2 3.34Å; E344-V348 PolarHBondContact O-N 3.29Å; R346-V348 PolarHBondContact O-N 3.41Å
349	A	57.3	Low	53.8	Low	88 Å²	88	107.7 Å²	107.7	73%	0.727	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	14.9	-174.9	0	0	0	0	0	115.2	R346	R346-A349 PolarHBondContact O-N 2.83Å
350	G	40.1	Very low	51.8	Low	59 Å²	59	109.5 Å²	109.5	61%	0.608	73%	0.732	S	S	*	*			trans	-108.1	88.7	-178.6	0	0	0	0	0	113.7	G352	G350-G352 VanDerWaalsContact C-N 3.31Å; G350-G352 PolarHBondContact O-N 2.9Å
351	A	47.6	Very low	50	Low	100 Å²	100	116 Å²	116	83%	0.826	75%	0.748	S	S	*	*			trans	-61.6	94.8	154.2	0	0	0	0	0	109	V353	A351-V353 PolarHBondContact O-N 3.44Å
352	G	43.5	Very low	47.7	Very low	80 Å²	80	115.1 Å²	115.1	83%	0.825	76%	0.763	S	S	*	*			trans	-74.2	105.1	165.5	0	0	0	0	0	109.7	G350	G350-G352 VanDerWaalsContact C-N 3.31Å; G350-G352 PolarHBondContact O-N 2.9Å
353	V	39.5	Very low	45.5	Very low	149 Å²	149	118.2 Å²	118.2	90%	0.903	78%	0.78	S	S	*	*			trans	-56.7	136.4	-179.9	170.6	0	0	0	0	112.7	A351	A351-V353 PolarHBondContact O-N 3.44Å
354	G	32.9	Very low	43.7	Very low	71 Å²	71	115.6 Å²	115.6	73%	0.732	78%	0.782	S	S	*	*			trans	132.6	78	150.1	0	0	0	0	0	115.8
355	G	34	Very low	41.8	Very low	84 Å²	84	115.5 Å²	115.5	87%	0.866	80%	0.795	S	S	*	*			trans	-73.8	144	171.1	0	0	0	0	0	113.4
356	A	29.2	Very low	40.3	Very low	106 Å²	106	111.4 Å²	111.4	88%	0.876	79%	0.793	S	S	*	*			trans	-159.7	136.2	148.6	0	0	0	0	0	111.1
357	S	33.8	Very low	39.7	Very low	120 Å²	120	108.3 Å²	108.3	84%	0.839	80%	0.795	S	S	*	*			trans	-57	156.3	178.1	171.9	0	0	0	0	114.5
358	A	38.6	Very low	39.3	Very low	93 Å²	93	109 Å²	109	77%	0.769	80%	0.8	S	S	*	*			trans	-36.9	136	167.5	0	0	0	0	0	115.8
359	A	33.4	Very low	39.2	Very low	96 Å²	96	109.7 Å²	109.7	79%	0.793	80%	0.8	S	S	*	*				171.6	136.2	121.4	0	0	0	0	0	112.2
360	A	36.1	Very low	39.1	Very low	92 Å²	92	110.3 Å²	110.3	76%	0.76	81%	0.805	S	S	*	*			trans	56.2	108.5	145.9	0	0	0	0	0	121.6
361	R	40.3	Very low	39.4	Very low	254 Å²	254	111.5 Å²	111.5	96%	0.958	80%	0.804	S	S	*	*			trans	58	123.5	133	-71.4	-176.3	163.5	173	-4.1	120.2
362	G	29.8	Very low	39.9	Very low	80 Å²	80	114 Å²	114	83%	0.825	80%	0.804	S	S	*	*			trans	174.1	79.4	157	0	0	0	0	0	115.7
363	L	33.5	Very low	40.5	Very low	176 Å²	176	115.8 Å²	115.8	92%	0.921	80%	0.803	S	S	*	*			trans	-11.3	124.4	157	-163.3	74.4	0	0	0	118.4
364	A	33.7	Very low	41.5	Very low	86 Å²	86	118 Å²	118	71%	0.711	80%	0.804	S	S	*	*				156.4	123.4	108.4	0	0	0	0	0	114.2
365	S	35.4	Very low	42.5	Very low	123 Å²	123	120 Å²	120	86%	0.86	81%	0.806	S	S	*	*			trans	70.4	97.3	139.6	-164.8	0	0	0	0	120
366	A	36.4	Very low	43.9	Very low	80 Å²	80	123.8 Å²	123.8	66%	0.661	81%	0.807	S	S	*	*				-174.4	110	111.9	0	0	0	0	0	107.5	A368	A366-A368 PolarHBondContact O-N 3.14Å
367	T	45.4	Very low	45.5	Very low	126 Å²	126	124.1 Å²	124.1	77%	0.773	80%	0.798	S	S	*	*			trans	20.8	70	146.7	54.1	0	0	0	0	115.5	N369	T367-N369 VanDerWaalsContact C-N 3.25Å; T367-N369 PolarHBondContact O-N 3.1Å
368	A	49	Very low	46.7	Very low	94 Å²	94	122.9 Å²	122.9	78%	0.777	79%	0.79	S	S	*	*			trans	-69.2	101.1	152	0	0	0	0	0	103.5	A366 A370	A366-A368 PolarHBondContact O-N 3.14Å; A368-A370 PolarHBondContact O-N 2.99Å
369	N	54.7	Low	47.6	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	79%	0.794	S	S	*	*			trans	-61.8	74.9	176.2	-78.5	-5.5	0	0	0	108.8	T367 S371	T367-N369 VanDerWaalsContact C-N 3.25Å; T367-N369 PolarHBondContact O-N 3.1Å; N369-S371 PolarHBondContact O-N 3.42Å
370	A	54.3	Low	48.6	Very low	100 Å²	100	128.1 Å²	128.1	83%	0.826	79%	0.794	S	S	*	*			trans	-82.1	74.3	156.8	0	0	0	0	0	105.8	A368	A368-A370 PolarHBondContact O-N 2.99Å
371	S	47.2	Very low	49.5	Very low	85 Å²	85	130.3 Å²	130.3	59%	0.594	79%	0.789	S	S	*	*			trans	-108.2	101.1	156.5	-110.4	0	0	0	0	106.8	N369 S373	N369-S371 PolarHBondContact O-N 3.42Å; S371-S373 PolarHBondContact O-N 3.49Å
372	D	56.3	Low	50.2	Low	153 Å²	153	124.8 Å²	124.8	82%	0.818	78%	0.778	S	S	*	*	S	Bend	trans	29.8	43.2	142.9	37.8	-53.7	0	0	0	119
373	S	56.8	Low	50.9	Low	117 Å²	117	130.3 Å²	130.3	82%	0.818	78%	0.783	S	S	*	*			trans	-137.4	56.8	174	-78.2	0	0	0	0	111.5	S371	S371-S373 PolarHBondContact O-N 3.49Å
374	E	60.3	Low	51.9	Low	195 Å²	195	129 Å²	129	91%	0.911	78%	0.776	S	S	*	*			trans	-106.8	71.7	156	58.2	-171.8	139.6	0	0	108.1
375	S	55.1	Low	52.6	Low	112 Å²	112	130.7 Å²	130.7	78%	0.783	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-103.2	128.9	162.2	-96.8	0	0	0	0	107.5	T377	S375-T377 PolarHBondContact O-N 3.24Å
376	D	62.8	Low	53	Low	164 Å²	164	130.6 Å²	130.6	88%	0.877	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-49.1	129.3	168.6	-75.7	-44.7	0	0	0	108.4	S378	D376-S378 PolarHBondContact O-N 3.38Å
377	T	62	Low	53.2	Low	113 Å²	113	129.5 Å²	129.5	69%	0.693	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-55	133.5	175.1	49.3	0	0	0	0	108.8	S375 E379	S375-T377 PolarHBondContact O-N 3.24Å; T377-E379 PolarHBondContact O-N 3.35Å
378	S	58.8	Low	52.8	Low	95 Å²	95	129.9 Å²	129.9	66%	0.664	78%	0.78	S	S	*	*	S	Bend	trans	-61.7	47.3	-165.9	-48	0	0	0	0	117.2	D376 S380	D376-S378 PolarHBondContact O-N 3.38Å; S378-S380 PolarHBondContact O-N 3.04Å
379	E	58.6	Low	52.1	Low	183 Å²	183	130.3 Å²	130.3	86%	0.855	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	7.3	178.3	-58.8	-169.3	128	0	0	113.1	T377	T377-E379 PolarHBondContact O-N 3.35Å
380	S	53.8	Low	51	Low	115 Å²	115	129.9 Å²	129.9	80%	0.804	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	5.9	-177.5	64.1	0	0	0	0	114.7	S378	S378-S380 PolarHBondContact O-N 3.04Å
381	E	54.9	Low	50	Low	139 Å²	139	129.9 Å²	129.9	65%	0.65	78%	0.776	S	S	*	*	S	Bend	trans	-101.3	104.6	-179.5	-50.3	-169.1	146.8	0	0	107.7
382	D	54.7	Low	49.1	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	79%	0.788	S	S	*	*			trans	89.6	83.3	163	-52.8	-59.6	0	0	0	120.1
383	E	44.3	Very low	47.9	Very low	197 Å²	197	127.8 Å²	127.8	92%	0.921	77%	0.771	S	S	*	*			trans	-124	78.7	150.8	-156	-177.8	142.8	0	0	109.1
384	L	55.2	Low	46.5	Very low	149 Å²	149	128.1 Å²	128.1	78%	0.78	77%	0.773	S	S	*	*			trans	-99.7	124.3	172.2	-72.4	174.1	0	0	0	110.2
385	P	48.5	Very low	45.1	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	77%	0.774	S	S	*	*			trans	-68.1	136.6	-180	25.4	-31.6	0	0	0	111.5	G387	P385-G387 PolarHBondContact O-N 3.36Å; P385-G387 VanDerWaalsContact O-N 3.14Å
386	S	44.2	Very low	43.8	Very low	121 Å²	121	131 Å²	131	85%	0.846	77%	0.774	S	S	*	*			trans	-54.9	113.2	-178.5	-40.2	0	0	0	0	112.1
387	G	40.9	Very low	42	Very low	57 Å²	57	134 Å²	134	59%	0.588	77%	0.773	S	S	*	*			trans	-81.5	155.5	174.2	0	0	0	0	0	112.9	P385	P385-G387 PolarHBondContact O-N 3.36Å; P385-G387 VanDerWaalsContact O-N 3.14Å
388	P	35.9	Very low	40.2	Very low	134 Å²	134	134.1 Å²	134.1	87%	0.87	77%	0.773	S	S	*	*			trans	-73.4	130.1	-169.7	29.1	-33.4	0	0	0	112.9
389	T	34.1	Very low	38.8	Very low	104 Å²	104	135.7 Å²	135.7	64%	0.638	78%	0.779	S	S	*	*			trans	-88.3	111.1	173.7	54.1	0	0	0	0	111.1
390	T	31.7	Very low	37.3	Very low	137 Å²	137	135.9 Å²	135.9	84%	0.84	78%	0.78	S	S	*	*			trans	-150	108.8	150.4	42.1	0	0	0	0	109.7
391	A	33.1	Very low	36.4	Very low	101 Å²	101	139.5 Å²	139.5	84%	0.835	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-93	120	167.5	0	0	0	0	0	108.7
392	T	29	Very low	35.1	Very low	139 Å²	139	139.5 Å²	139.5	85%	0.853	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-89.9	124.4	177.3	9.8	0	0	0	0	110.9
393	A	31.8	Very low	34.1	Very low	54 Å²	54	142.1 Å²	142.1	45%	0.446	80%	0.801	S	S	.	*	P	Polyproline II helix	trans	-77	145.1	176.9	0	0	0	0	0	113	E434	A393-E434 WeakPolarHBondContact CB-O 3.29Å
394	S	27.6	Very low	33.3	Very low	125 Å²	125	142 Å²	142	87%	0.874	80%	0.801	S	S	*	*			trans	-115.4	130.1	171.1	-59.1	0	0	0	0	109.8
395	Q	30	Very low	32.1	Very low	198 Å²	198	143.8 Å²	143.8	93%	0.925	81%	0.805	S	S	*	*			trans	-81.5	144.7	-163.1	-64.7	170.6	-0.7	0	0	114.7
396	H	27.2	Very low	31.7	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	80%	0.804	S	S	*	*			trans	-84.4	147.7	175.9	-177.2	-111.2	0	0	0	112.9
397	R	25.3	Very low	31.1	Very low	229 Å²	229	147.3 Å²	147.3	86%	0.864	81%	0.808	S	S	*	*			trans	-145.8	103.1	161.8	-140.9	179.3	-175.6	179.4	1.8	113.4
398	T	24.2	Very low	31.4	Very low	114 Å²	114	151.1 Å²	151.1	70%	0.699	82%	0.815	S	S	*	*			trans	47	104.8	146.1	60.3	0	0	0	0	119.2
399	V	29.6	Very low	31.8	Very low	129 Å²	129	152 Å²	152	78%	0.782	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-89.7	127.3	163.8	-178.8	0	0	0	0	108.5
400	E	28.3	Very low	32.2	Very low	186 Å²	186	154.8 Å²	154.8	87%	0.869	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-86.2	137.4	162	-76.1	-167.7	156.4	0	0	109
401	E	33.8	Very low	32.4	Very low	191 Å²	191	157.1 Å²	157.1	89%	0.893	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.1	-176.5	-61.3	166.7	163.5	0	0	112
402	V	28.2	Very low	33.1	Very low	140 Å²	140	160.6 Å²	160.6	85%	0.848	82%	0.821	S	S	*	*			trans	-138.6	124.8	151.6	-174.6	0	0	0	0	108
403	E	32.4	Very low	33.7	Very low	191 Å²	191	162.7 Å²	162.7	89%	0.893	82%	0.821	S	S	*	*			trans	-57.7	126.3	-176.9	-58.5	168.6	154.6	0	0	111.8
404	E	29.3	Very low	34.3	Very low	195 Å²	195	165.1 Å²	165.1	91%	0.911	83%	0.83	S	S	*	*			trans	-117.3	139.8	159.9	-76.2	-167.1	168.2	0	0	109.5
405	E	29.1	Very low	35.2	Very low	187 Å²	187	161.9 Å²	161.9	87%	0.874	82%	0.817	S	S	*	*			trans	-68.4	139.2	-166.2	-64.9	169.7	139.7	0	0	113.2
406	D	40.1	Very low	36.3	Very low	142 Å²	142	160.4 Å²	160.4	76%	0.759	82%	0.815	S	S	*	*			trans	-3.4	107.9	156.8	-56.8	-36.7	0	0	0	117.5
407	D	32.2	Very low	38	Very low	172 Å²	172	156.8 Å²	156.8	92%	0.92	80%	0.798	S	S	*	*			trans	-130.3	94.2	145.1	-90	-35	0	0	0	107.3
408	D	45.6	Very low	40.3	Very low	138 Å²	138	148 Å²	148	74%	0.738	77%	0.771	S	S	*	*			trans	-69.6	147.6	173.7	-78.5	-49.1	0	0	0	111.6
409	D	44.9	Very low	42.9	Very low	152 Å²	152	147.4 Å²	147.4	81%	0.813	76%	0.762	S	S	*	*			trans	88.2	62.1	161.4	-60.1	-34.8	0	0	0	120.1
410	D	43.5	Very low	45.4	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	73%	0.726	S	S	*	*			trans	-150.8	92.6	136.7	-111.5	-17.9	0	0	0	110.5	E412	D410-E412 PolarHBondContact O-N 2.82Å; D410-E412 VanDerWaalsContact O-N 3.08Å
411	F	35.3	Very low	47.9	Very low	186 Å²	186	137.2 Å²	137.2	82%	0.816	71%	0.707	S	S	*	*			trans	-74.4	93.6	169.4	-174.2	-96	0	0	0	107.7	E413	F411-E413 PolarHBondContact O-N 2.91Å; F411-E413 VanDerWaalsContact O-N 3.17Å
412	E	47.1	Very low	50	Low	174 Å²	174	128.4 Å²	128.4	81%	0.813	67%	0.666	S	S	*	*			trans	-56.5	120	166.8	-77.7	-173.2	167.2	0	0	108.3	D410 V414	D410-E412 PolarHBondContact O-N 2.82Å; D410-E412 VanDerWaalsContact O-N 3.08Å; E412-V414 VanDerWaalsContact C-N 3.31Å; E412-V414 PolarHBondContact O-N 2.71Å
413	E	43	Very low	52.2	Low	182 Å²	182	124.4 Å²	124.4	85%	0.85	65%	0.653	S	S	*	*			trans	-59.3	98.9	169.5	-174.6	169.1	-157.2	0	0	107	F411 G415	F411-E413 PolarHBondContact O-N 2.91Å; F411-E413 VanDerWaalsContact O-N 3.17Å; E413-G415 PolarHBondContact O-N 3.45Å
414	V	44.5	Very low	54.2	Low	106 Å²	106	118 Å²	118	64%	0.642	64%	0.638	S	S	*	*			trans	-51.5	106.3	174.1	-134.1	0	0	0	0	105.9	E412 D416	E412-V414 VanDerWaalsContact C-N 3.31Å; E412-V414 PolarHBondContact O-N 2.71Å; V414-D416 PolarHBondContact O-N 3.22Å
415	G	46.2	Very low	56.5	Low	57 Å²	57	117.6 Å²	117.6	59%	0.588	63%	0.629	S	S	*	*			trans	-50.6	130.3	177.5	0	0	0	0	0	108.3	E413 E417	E413-G415 PolarHBondContact O-N 3.45Å; G415-E417 PolarHBondContact O-N 2.95Å
416	D	51.8	Low	58.9	Low	167 Å²	167	115.2 Å²	115.2	89%	0.893	62%	0.617	S	S	*	*			trans	-48.4	99.8	-173.3	-73.8	-45.3	0	0	0	110.2	V414 P418	V414-D416 PolarHBondContact O-N 3.22Å; D416-P418 WeakPolarHBondContact O-CD 3.38Å
417	E	63.6	Low	60.8	Low	92 Å²	92	110.6 Å²	110.6	43%	0.43	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-66.4	119.6	177.7	-78.3	-165.4	161.3	0	0	107.4	G415 M419	G415-E417 PolarHBondContact O-N 2.95Å; E417-M419 PolarHBondContact O-N 2.66Å
418	P	74.5	Confident	63.3	Low	45 Å²	45	103.3 Å²	103.3	29%	0.292	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-67.7	134.5	-173.7	26.9	-33.5	0	0	0	110	D416 Y429 M453 L457	D416-P418 WeakPolarHBondContact O-CD 3.38Å; P418-Y429 VanDerWaalsContact O-CB 3.27Å; P418-Y429 WeakPolarHBondContact O-CB 3.46Å; P418-Y429 PolarHBondContact O-N 3.05Å; P418-M453 HydrophobicContact CB-CE 4.36Å; P418-M453 HydrophobicContact CB-CG 4.29Å; P418-M453 HydrophobicContact CB-SD 3.69Å; P418-M453 HydrophobicContact CG-CG 4.39Å; P418-M453 HydrophobicContact CG-SD 4.23Å; P418-L457 HydrophobicContact CG-CD1 3.83Å; P418-L457 HydrophobicContact CG-CD2 4.23Å; P418-L457 HydrophobicContact CG-CG 4.38Å
419	M	78.8	Confident	65	Low	101 Å²	101	99.4 Å²	99.4	50%	0.498	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	-174.9	-64.5	-69.5	-73.5	0	0	110.6	E417 Q426 F427	E417-M419 PolarHBondContact O-N 2.66Å; M419-Q426 HydrophobicContact CE-CB 3.93Å; M419-F427 CarbonylContact C-O 3.52Å; M419-F427 WeakPolarHBondContact CA-O 3.47Å
420	V	81.9	Confident	66.6	Low	7 Å²	7	99.9 Å²	99.9	4%	0.042	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142	-179.6	-179.6	0	0	0	0	109.9	F427 Y429 M442 Y450 M453	V420-F427 PolarHBondContact N-O 2.83Å; V420-F427 PolarHBondContact O-N 3.17Å; V420-Y429 HydrophobicContact CG2-CD2 3.73Å; V420-Y429 HydrophobicContact CG2-CG 4.39Å; V420-M442 HydrophobicContact CG1-CE 3.74Å; V420-Y450 HydrophobicContact CG1-CD2 3.99Å; V420-Y450 HydrophobicContact CG2-CD2 4.02Å; V420-M453 HydrophobicContact CG2-SD 3.54Å; V420-M453 VanDerWaalsContact CG2-SD 3.54Å
421	M	79.2	Confident	68.3	Low	93 Å²	93	95.5 Å²	95.5	46%	0.458	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.3	174.8	-66.7	-111.9	-69.8	0	0	110.7	R425 Q426 M442 E446	M421-R425 CarbonylContact C-O 3.59Å; M421-R425 WeakPolarHBondContact CA-O 3.37Å; M421-Q426 HydrophobicContact CG-CG 4.3Å; M421-Q426 HydrophobicContact SD-CG 3.86Å; M421-M442 WeakPolarHBondContact O-CE 3.36Å; M421-E446 HydrophobicContact CB-CG 4.27Å; M421-E446 WeakPolarHBondContact O-CB 3.44Å; M421-E446 VanDerWaalsContact O-CG 3.31Å; M421-E446 WeakPolarHBondContact O-CG 3.5Å
422	V	79.5	Confident	70.5	Confident	7 Å²	7	86.7 Å²	86.7	4%	0.042	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	110.1	173.2	177.9	0	0	0	0	108.2	G424 R425 F427 V432 L438 M442	V422-G424 VanDerWaalsContact C-N 3.26Å; V422-G424 PolarHBondContact O-N 3.48Å; V422-R425 PolarHBondContact N-O 2.84Å; V422-R425 PolarHBondContact O-N 3.11Å; V422-R425 VanDerWaalsContact O-N 3.15Å; V422-F427 HydrophobicContact CB-CD2 3.8Å; V422-F427 HydrophobicContact CB-CE2 4.09Å; V422-F427 HydrophobicContact CG2-CD2 4.1Å; V422-V432 HydrophobicContact CG2-CG1 4.21Å; V422-V432 HydrophobicContact CG2-CG2 3.74Å; V422-L438 HydrophobicContact CG1-CB 4.29Å; V422-L438 VanDerWaalsContact CG1-O 3.25Å; V422-L438 WeakPolarHBondContact CG1-O 3.4Å; V422-M442 HydrophobicContact CB-CG 4.2Å; V422-M442 HydrophobicContact CG1-CG 3.75Å; V422-M442 HydrophobicContact CG2-CE 3.92Å; V422-M442 HydrophobicContact CG2-CG 3.91Å; V422-M442 HydrophobicContact CG2-SD 3.99Å
423	G	72.8	Confident	71.9	Confident	56 Å²	56	79.9 Å²	79.9	58%	0.577	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	35.9	178.1	0	0	0	0	0	113.2	R425 E446	G423-R425 VanDerWaalsContact C-N 3.35Å; G423-E446 PolarHBondContact N-OE1 2.93Å; G423-E446 VanDerWaalsContact N-OE1 3.12Å; G423-E446 PolarHBondContact N-OE2 3.05Å
424	G	75	Confident	73.5	Confident	56 Å²	56	76.7 Å²	76.7	58%	0.577	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	13.4	-178.4	0	0	0	0	0	115.8	V422 E446	V422-G424 VanDerWaalsContact C-N 3.26Å; V422-G424 PolarHBondContact O-N 3.48Å; G424-E446 PolarHBondContact N-OE1 3.2Å; G424-E446 VanDerWaalsContact N-OE1 3.1Å
425	R	77.8	Confident	75.2	Confident	187 Å²	187	77.5 Å²	77.5	71%	0.706	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.3	171.3	-65.9	-178.5	-177.1	-175.2	1.2	110.2	M421 V422 G423 F427	M421-R425 CarbonylContact C-O 3.59Å; M421-R425 WeakPolarHBondContact CA-O 3.37Å; V422-R425 PolarHBondContact N-O 2.84Å; V422-R425 PolarHBondContact O-N 3.11Å; V422-R425 VanDerWaalsContact O-N 3.15Å; G423-R425 VanDerWaalsContact C-N 3.35Å; R425-F427 HydrophobicContact CB-CD2 4.28Å; R425-F427 HydrophobicContact CB-CE2 3.6Å; R425-F427 HydrophobicContact CB-CZ 4.15Å; R425-F427 WeakPolarHBondContact O-CD2 3.32Å
426	Q	78.6	Confident	76.5	Confident	136 Å²	136	79 Å²	79	64%	0.636	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.5	-180	-63.7	175.3	3.1	0	0	110	M419 M421	M419-Q426 HydrophobicContact CE-CB 3.93Å; M421-Q426 HydrophobicContact CG-CG 4.3Å; M421-Q426 HydrophobicContact SD-CG 3.86Å
427	F	80.3	Confident	77.8	Confident	45 Å²	45	77.5 Å²	77.5	20%	0.197	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.3	176.2	-67.1	-82	0	0	0	109.6	M419 V420 V422 R425 V432	M419-F427 CarbonylContact C-O 3.52Å; M419-F427 WeakPolarHBondContact CA-O 3.47Å; V420-F427 PolarHBondContact N-O 2.83Å; V420-F427 PolarHBondContact O-N 3.17Å; V422-F427 HydrophobicContact CB-CD2 3.8Å; V422-F427 HydrophobicContact CB-CE2 4.09Å; V422-F427 HydrophobicContact CG2-CD2 4.1Å; R425-F427 HydrophobicContact CB-CD2 4.28Å; R425-F427 HydrophobicContact CB-CE2 3.6Å; R425-F427 HydrophobicContact CB-CZ 4.15Å; R425-F427 WeakPolarHBondContact O-CD2 3.32Å; F427-V432 HydrophobicContact CB-CG2 3.7Å
428	S	84.5	Confident	78.4	Confident	20 Å²	20	74.2 Å²	74.2	14%	0.14	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	146.3	175.7	72.1	0	0	0	0	110.8	R430 E431 V432	S428-R430 PolarHBondContact O-N 3.07Å; S428-R430 VanDerWaalsContact O-N 3.16Å; S428-E431 PolarHBondContact O-N 3.17Å; S428-E431 VanDerWaalsContact O-N 3.11Å; S428-E431 VanDerWaalsContact OG-CB 3.3Å; S428-E431 WeakPolarHBondContact OG-CB 3.46Å; S428-E431 PolarHBondContact OG-N 3.3Å; S428-V432 WeakPolarHBondContact O-CG2 3.49Å; S428-V432 PolarHBondContact O-N 3.24Å; S428-V432 VanDerWaalsContact O-N 3.15Å
429	Y	81.5	Confident	78.5	Confident	56 Å²	56	74.1 Å²	74.1	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-53.2	-37.6	178.8	-178.4	-90	0	0	0	112.2	P418 V420 G433 Y450 M453 G454 L457	P418-Y429 VanDerWaalsContact O-CB 3.27Å; P418-Y429 WeakPolarHBondContact O-CB 3.46Å; P418-Y429 PolarHBondContact O-N 3.05Å; V420-Y429 HydrophobicContact CG2-CD2 3.73Å; V420-Y429 HydrophobicContact CG2-CG 4.39Å; Y429-G433 PolarHBondContact O-N 2.92Å; Y429-Y450 AromaticContact CD2-CD2 3.81Å; Y429-Y450 HydrophobicContact CD2-CD2 3.81Å; Y429-Y450 AromaticContact CD2-CE2 3.65Å; Y429-Y450 HydrophobicContact CD2-CE2 3.65Å; Y429-Y450 AromaticContact CE2-CD2 3.6Å; Y429-Y450 HydrophobicContact CE2-CD2 3.6Å; Y429-Y450 AromaticContact CE2-CE2 3.39Å; Y429-Y450 HydrophobicContact CE2-CE2 3.39Å; Y429-Y450 HydrophobicContact CE2-CG 4.38Å; Y429-Y450 HydrophobicContact CG-CE2 4.36Å; Y429-Y450 AromaticContact CZ-CE2 3.95Å; Y429-M453 HydrophobicContact CD2-CB 4.28Å; Y429-M453 HydrophobicContact CD2-CG 3.93Å; Y429-M453 HydrophobicContact CD2-SD 4.11Å; Y429-M453 HydrophobicContact CE2-CB 4.24Å; Y429-M453 HydrophobicContact CE2-CG 4.3Å; Y429-G454 WeakPolarHBondContact OH-CA 3.48Å; Y429-L457 HydrophobicContact CD1-CD1 3.46Å; Y429-L457 VanDerWaalsContact CD1-CD1 3.46Å; Y429-L457 HydrophobicContact CD2-CD1 3.98Å; Y429-L457 HydrophobicContact CE1-CD1 3.57Å; Y429-L457 HydrophobicContact CE2-CD1 4.1Å; Y429-L457 HydrophobicContact CG-CD1 3.71Å
430	R	79.8	Confident	78.5	Confident	161 Å²	161	77.5 Å²	77.5	61%	0.608	39%	0.393	S	S	*	.	H	α-helix	trans	-68.8	-42.9	178.1	-167.8	177.8	-175.8	141.4	0.6	113.1	S428 V432 G433 E434	S428-R430 PolarHBondContact O-N 3.07Å; S428-R430 VanDerWaalsContact O-N 3.16Å; R430-V432 VanDerWaalsContact C-N 3.3Å; R430-V432 PolarHBondContact O-N 2.8Å; R430-G433 PolarHBondContact O-N 3.3Å; R430-E434 IonicContact NE-OE1 3.93Å; R430-E434 WeakPolarHBondContact O-CG 3.33Å; R430-E434 PolarHBondContact O-N 3.4Å
431	E	79.7	Confident	78.3	Confident	72 Å²	72	83.8 Å²	83.8	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-35.9	178.8	-175.9	178.1	-174.4	0	0	111.9	S428 E434 R435	S428-E431 PolarHBondContact O-N 3.17Å; S428-E431 VanDerWaalsContact O-N 3.11Å; S428-E431 VanDerWaalsContact OG-CB 3.3Å; S428-E431 WeakPolarHBondContact OG-CB 3.46Å; S428-E431 PolarHBondContact OG-N 3.3Å; E431-E434 PolarHBondContact O-N 3.27Å; E431-R435 PolarHBondContact O-N 2.91Å; E431-R435 IonicContact OE1-NH1 2.77Å
432	V	79.9	Confident	78.2	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-68.9	-38.8	175.7	179	0	0	0	0	111.3	V422 F427 S428 R430 R435 V439 M442 Y450	V422-V432 HydrophobicContact CG2-CG1 4.21Å; V422-V432 HydrophobicContact CG2-CG2 3.74Å; F427-V432 HydrophobicContact CB-CG2 3.7Å; S428-V432 WeakPolarHBondContact O-CG2 3.49Å; S428-V432 PolarHBondContact O-N 3.24Å; S428-V432 VanDerWaalsContact O-N 3.15Å; R430-V432 VanDerWaalsContact C-N 3.3Å; R430-V432 PolarHBondContact O-N 2.8Å; V432-R435 PolarHBondContact O-N 3.48Å; V432-V439 HydrophobicContact CG1-CG2 3.75Å; V432-V439 WeakPolarHBondContact O-CG2 3.48Å; V432-M442 HydrophobicContact CG1-SD 4.21Å; V432-Y450 HydrophobicContact CB-CE2 4.04Å; V432-Y450 HydrophobicContact CG1-CD2 4.14Å; V432-Y450 HydrophobicContact CG1-CE2 3.73Å
433	G	76.3	Confident	78.4	Confident	31 Å²	31	82.4 Å²	82.4	32%	0.32	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-32.9	175.5	0	0	0	0	0	114.1	Y429 R430 Y450	Y429-G433 PolarHBondContact O-N 2.92Å; R430-G433 PolarHBondContact O-N 3.3Å; G433-Y450 WeakPolarHBondContact CA-OH 3.23Å
434	E	78.2	Confident	78.7	Confident	115 Å²	115	86.9 Å²	86.9	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-75.5	-23.5	177.7	-71.9	177.4	-174.1	0	0	113	A393 R430 E431 P436	A393-E434 WeakPolarHBondContact CB-O 3.29Å; R430-E434 IonicContact NE-OE1 3.93Å; R430-E434 WeakPolarHBondContact O-CG 3.33Å; R430-E434 PolarHBondContact O-N 3.4Å; E431-E434 PolarHBondContact O-N 3.27Å; E434-P436 WeakPolarHBondContact O-CD 3.37Å
435	R	78.7	Confident	79	Confident	124 Å²	124	91.6 Å²	91.6	47%	0.468	44%	0.435	S	S	.	.			trans	-117.9	92.4	-174.5	-61	-177.8	79.9	170.8	5.1	111.5	E431 V432 E437 L438	E431-R435 PolarHBondContact O-N 2.91Å; E431-R435 IonicContact OE1-NH1 2.77Å; V432-R435 PolarHBondContact O-N 3.48Å; R435-E437 PolarHBondContact O-N 2.65Å; R435-L438 HydrophobicContact CB-CD1 3.94Å; R435-L438 HydrophobicContact CB-CG 4.09Å; R435-L438 PolarHBondContact O-N 2.82Å
436	P	75.1	Confident	79.2	Confident	89 Å²	89	84.1 Å²	84.1	58%	0.578	41%	0.408	S	S	*	.	H	α-helix	trans	-61.9	-20.9	-178.1	24.6	-34	0	0	0	113.8	E434 L438 V439 E440	E434-P436 WeakPolarHBondContact O-CD 3.37Å; P436-L438 VanDerWaalsContact C-N 3.31Å; P436-L438 PolarHBondContact O-N 3.5Å; P436-V439 PolarHBondContact O-N 2.93Å; P436-E440 PolarHBondContact O-N 2.9Å
437	E	78.3	Confident	79.5	Confident	135 Å²	135	82.5 Å²	82.5	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-67.7	-26.9	175.5	-61	-179.4	177.7	0	0	113.5	R435 Q441	R435-E437 PolarHBondContact O-N 2.65Å; E437-Q441 WeakPolarHBondContact O-CG 3.34Å; E437-Q441 PolarHBondContact O-NE2 3.1Å
438	L	76.2	Confident	79.7	Confident	22 Å²	22	85.7 Å²	85.7	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-77.9	-36.7	177.5	-69.1	178.4	0	0	0	111	V422 R435 P436 E440 Q441 M442	V422-L438 HydrophobicContact CG1-CB 4.29Å; V422-L438 VanDerWaalsContact CG1-O 3.25Å; V422-L438 WeakPolarHBondContact CG1-O 3.4Å; R435-L438 HydrophobicContact CB-CD1 3.94Å; R435-L438 HydrophobicContact CB-CG 4.09Å; R435-L438 PolarHBondContact O-N 2.82Å; P436-L438 VanDerWaalsContact C-N 3.31Å; P436-L438 PolarHBondContact O-N 3.5Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 2.85Å; L438-Q441 PolarHBondContact O-N 3.2Å; L438-M442 WeakPolarHBondContact O-CG 3.2Å; L438-M442 PolarHBondContact O-N 2.63Å
439	V	75.8	Confident	79.6	Confident	43 Å²	43	87 Å²	87	26%	0.261	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-33.8	177.5	-178.4	0	0	0	0	112	V432 P436	V432-V439 HydrophobicContact CG1-CG2 3.75Å; V432-V439 WeakPolarHBondContact O-CG2 3.48Å; P436-V439 PolarHBondContact O-N 2.93Å
440	E	80.1	Confident	79.7	Confident	173 Å²	173	86 Å²	86	81%	0.808	42%	0.422	S	S	*	.	H	α-helix	trans	-75.4	-23.2	179	-166.9	170.9	-171.8	0	0	113.2	P436 L438 M442	P436-E440 PolarHBondContact O-N 2.9Å; L438-E440 VanDerWaalsContact C-N 3.28Å; L438-E440 PolarHBondContact O-N 2.85Å; E440-M442 VanDerWaalsContact C-N 3.35Å
441	Q	78	Confident	80	Confident	139 Å²	139	81 Å²	81	65%	0.65	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.6	178.1	-66.7	176.1	35.3	0	0	113.3	E437 L438	E437-Q441 WeakPolarHBondContact O-CG 3.34Å; E437-Q441 PolarHBondContact O-NE2 3.1Å; L438-Q441 PolarHBondContact O-N 3.2Å
442	M	75.8	Confident	80.2	Confident	21 Å²	21	82.1 Å²	82.1	10%	0.103	41%	0.412	C	S	.	.	S	Bend	trans	-70.1	142.1	179.1	-62	-177.3	77.6	0	0	111.4	V420 M421 V422 V432 L438 E440 E446 K447 Y450	V420-M442 HydrophobicContact CG1-CE 3.74Å; M421-M442 WeakPolarHBondContact O-CE 3.36Å; V422-M442 HydrophobicContact CB-CG 4.2Å; V422-M442 HydrophobicContact CG1-CG 3.75Å; V422-M442 HydrophobicContact CG2-CE 3.92Å; V422-M442 HydrophobicContact CG2-CG 3.91Å; V422-M442 HydrophobicContact CG2-SD 3.99Å; V432-M442 HydrophobicContact CG1-SD 4.21Å; L438-M442 WeakPolarHBondContact O-CG 3.2Å; L438-M442 PolarHBondContact O-N 2.63Å; E440-M442 VanDerWaalsContact C-N 3.35Å; M442-E446 HydrophobicContact CB-CB 4.28Å; M442-E446 HydrophobicContact CE-CB 3.78Å; M442-E446 VanDerWaalsContact CE-O 3.26Å; M442-E446 WeakPolarHBondContact CE-O 3.29Å; M442-K447 HydrophobicContact CB-CB 4.44Å; M442-Y450 HydrophobicContact CE-CG 4.4Å
443	S	84	Confident	80.4	Confident	50 Å²	50	85 Å²	85	35%	0.35	43%	0.426	S	S	.	.			trans	-67.6	159.3	165.9	64.9	0	0	0	0	110.9	Q445 E446 K447	S443-Q445 PolarHBondContact O-N 3.48Å; S443-E446 PolarHBondContact N-OE2 3.06Å; S443-E446 PolarHBondContact O-N 3.15Å; S443-E446 WeakPolarHBondContact OG-CB 3.38Å; S443-E446 WeakPolarHBondContact OG-CG 3.39Å; S443-E446 PolarHBondContact OG-N 3.33Å; S443-E446 PolarHBondContact OG-OE2 2.84Å; S443-K447 WeakPolarHBondContact O-CB 3.05Å; S443-K447 PolarHBondContact O-N 3.11Å
444	M	78.9	Confident	80.7	Confident	150 Å²	150	84.1 Å²	84.1	74%	0.739	42%	0.417	S	S	*	.	H	α-helix	trans	-57.7	-35.5	-179.2	-171.6	169.2	179.8	0	0	112.5	K447 E448	M444-K447 PolarHBondContact O-N 2.57Å; M444-E448 WeakPolarHBondContact O-CG 3.4Å; M444-E448 PolarHBondContact O-N 3.01Å; M444-E448 VanDerWaalsContact O-N 3.15Å
445	Q	80.8	Confident	80.8	Confident	155 Å²	155	83.6 Å²	83.6	72%	0.724	42%	0.415	S	S	*	.	H	α-helix	trans	-71.7	-43.5	177.9	-68.1	157.9	-5.2	0	0	112.1	S443 K447 E448 A449	S443-Q445 PolarHBondContact O-N 3.48Å; Q445-K447 VanDerWaalsContact C-N 3.26Å; Q445-K447 PolarHBondContact O-N 3.26Å; Q445-E448 PolarHBondContact O-N 3.23Å; Q445-A449 PolarHBondContact O-N 3.39Å; Q445-A449 VanDerWaalsContact O-N 3.15Å
446	E	83.9	Confident	80.8	Confident	30 Å²	30	81.8 Å²	81.8	14%	0.14	41%	0.414	C	S	.	.	H	α-helix	trans	-64.3	-34.8	175.3	-73.3	168.1	153.8	0	0	111.3	M421 G423 G424 M442 S443 A449 Y450	M421-E446 HydrophobicContact CB-CG 4.27Å; M421-E446 WeakPolarHBondContact O-CB 3.44Å; M421-E446 VanDerWaalsContact O-CG 3.31Å; M421-E446 WeakPolarHBondContact O-CG 3.5Å; G423-E446 PolarHBondContact N-OE1 2.93Å; G423-E446 VanDerWaalsContact N-OE1 3.12Å; G423-E446 PolarHBondContact N-OE2 3.05Å; G424-E446 PolarHBondContact N-OE1 3.2Å; G424-E446 VanDerWaalsContact N-OE1 3.1Å; M442-E446 HydrophobicContact CB-CB 4.28Å; M442-E446 HydrophobicContact CE-CB 3.78Å; M442-E446 VanDerWaalsContact CE-O 3.26Å; M442-E446 WeakPolarHBondContact CE-O 3.29Å; S443-E446 PolarHBondContact N-OE2 3.06Å; S443-E446 PolarHBondContact O-N 3.15Å; S443-E446 WeakPolarHBondContact OG-CB 3.38Å; S443-E446 WeakPolarHBondContact OG-CG 3.39Å; S443-E446 PolarHBondContact OG-N 3.33Å; S443-E446 PolarHBondContact OG-OE2 2.84Å; E446-A449 PolarHBondContact O-N 2.96Å; E446-Y450 WeakPolarHBondContact O-CB 3.36Å; E446-Y450 PolarHBondContact O-N 2.97Å
447	K	82.9	Confident	81.1	Confident	101 Å²	101	80.2 Å²	80.2	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-38.6	177.5	-174.7	177.7	178.1	179.4	0	112.4	M442 S443 M444 Q445 Y450 I451	M442-K447 HydrophobicContact CB-CB 4.44Å; S443-K447 WeakPolarHBondContact O-CB 3.05Å; S443-K447 PolarHBondContact O-N 3.11Å; M444-K447 PolarHBondContact O-N 2.57Å; Q445-K447 VanDerWaalsContact C-N 3.26Å; Q445-K447 PolarHBondContact O-N 3.26Å; K447-Y450 PolarHBondContact O-N 3.34Å; K447-I451 HydrophobicContact CG-CD1 4.2Å; K447-I451 WeakPolarHBondContact O-CD1 3.42Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.42Å; K447-I451 PolarHBondContact O-N 3.45Å
448	E	84.6	Confident	81	Confident	112 Å²	112	79.2 Å²	79.2	52%	0.523	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-45.7	173.9	-75	170.5	178.5	0	0	110.7	M444 Q445 Y450 I451 E452	M444-E448 WeakPolarHBondContact O-CG 3.4Å; M444-E448 PolarHBondContact O-N 3.01Å; M444-E448 VanDerWaalsContact O-N 3.15Å; Q445-E448 PolarHBondContact O-N 3.23Å; E448-Y450 VanDerWaalsContact C-N 3.32Å; E448-Y450 PolarHBondContact O-N 3.48Å; E448-I451 PolarHBondContact O-N 3.31Å; E448-I451 VanDerWaalsContact O-N 3.12Å; E448-E452 PolarHBondContact O-N 3.24Å
449	A	83.6	Confident	80.9	Confident	47 Å²	47	82.9 Å²	82.9	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-36.8	175.2	0	0	0	0	0	113.1	Q445 E446 M453	Q445-A449 PolarHBondContact O-N 3.39Å; Q445-A449 VanDerWaalsContact O-N 3.15Å; E446-A449 PolarHBondContact O-N 2.96Å; A449-M453 VanDerWaalsContact O-CB 3.25Å; A449-M453 WeakPolarHBondContact O-CB 3.11Å; A449-M453 PolarHBondContact O-N 2.94Å
450	Y	84.2	Confident	80.9	Confident	35 Å²	35	85.4 Å²	85.4	14%	0.137	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-39.2	173.9	178.1	-103.5	0	0	0	112.6	V420 Y429 V432 G433 M442 E446 K447 E448 G454	V420-Y450 HydrophobicContact CG1-CD2 3.99Å; V420-Y450 HydrophobicContact CG2-CD2 4.02Å; Y429-Y450 AromaticContact CD2-CD2 3.81Å; Y429-Y450 HydrophobicContact CD2-CD2 3.81Å; Y429-Y450 AromaticContact CD2-CE2 3.65Å; Y429-Y450 HydrophobicContact CD2-CE2 3.65Å; Y429-Y450 AromaticContact CE2-CD2 3.6Å; Y429-Y450 HydrophobicContact CE2-CD2 3.6Å; Y429-Y450 AromaticContact CE2-CE2 3.39Å; Y429-Y450 HydrophobicContact CE2-CE2 3.39Å; Y429-Y450 HydrophobicContact CE2-CG 4.38Å; Y429-Y450 HydrophobicContact CG-CE2 4.36Å; Y429-Y450 AromaticContact CZ-CE2 3.95Å; V432-Y450 HydrophobicContact CB-CE2 4.04Å; V432-Y450 HydrophobicContact CG1-CD2 4.14Å; V432-Y450 HydrophobicContact CG1-CE2 3.73Å; G433-Y450 WeakPolarHBondContact CA-OH 3.23Å; M442-Y450 HydrophobicContact CE-CG 4.4Å; E446-Y450 WeakPolarHBondContact O-CB 3.36Å; E446-Y450 PolarHBondContact O-N 2.97Å; K447-Y450 PolarHBondContact O-N 3.34Å; E448-Y450 VanDerWaalsContact C-N 3.32Å; E448-Y450 PolarHBondContact O-N 3.48Å; Y450-G454 PolarHBondContact O-N 3.42Å
451	I	85.4	Confident	80.3	Confident	56 Å²	56	83.5 Å²	83.5	29%	0.287	42%	0.416	S	S	.	.	H	α-helix	trans	-68.6	-43.8	178	-67.5	163	0	0	0	110.5	K447 E448 G454 Q455	K447-I451 HydrophobicContact CG-CD1 4.2Å; K447-I451 WeakPolarHBondContact O-CD1 3.42Å; K447-I451 VanDerWaalsContact O-CG1 3.26Å; K447-I451 WeakPolarHBondContact O-CG1 3.42Å; K447-I451 PolarHBondContact O-N 3.45Å; E448-I451 PolarHBondContact O-N 3.31Å; E448-I451 VanDerWaalsContact O-N 3.12Å; I451-G454 PolarHBondContact O-N 2.95Å; I451-Q455 WeakPolarHBondContact O-CG 3.37Å; I451-Q455 PolarHBondContact O-N 2.88Å
452	E	84.6	Confident	79.4	Confident	96 Å²	96	83.2 Å²	83.2	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-47.3	177.2	-172	-170.6	165.4	0	0	111.6	E448 G454 Q455 N456	E448-E452 PolarHBondContact O-N 3.24Å; E452-G454 VanDerWaalsContact C-N 3.26Å; E452-G454 PolarHBondContact O-N 2.82Å; E452-Q455 WeakPolarHBondContact O-CB 3.28Å; E452-Q455 PolarHBondContact O-N 3.14Å; E452-Q455 VanDerWaalsContact O-N 3.09Å; E452-N456 PolarHBondContact O-N 3.35Å
453	M	82.3	Confident	78	Confident	60 Å²	60	91.7 Å²	91.7	30%	0.296	45%	0.445	S	S	.	.	H	α-helix	trans	-61.3	-37	175.9	-168.6	165.7	-76.4	0	0	111.9	P418 V420 Y429 A449 N456 L457	P418-M453 HydrophobicContact CB-CE 4.36Å; P418-M453 HydrophobicContact CB-CG 4.29Å; P418-M453 HydrophobicContact CB-SD 3.69Å; P418-M453 HydrophobicContact CG-CG 4.39Å; P418-M453 HydrophobicContact CG-SD 4.23Å; V420-M453 HydrophobicContact CG2-SD 3.54Å; V420-M453 VanDerWaalsContact CG2-SD 3.54Å; Y429-M453 HydrophobicContact CD2-CB 4.28Å; Y429-M453 HydrophobicContact CD2-CG 3.93Å; Y429-M453 HydrophobicContact CD2-SD 4.11Å; Y429-M453 HydrophobicContact CE2-CB 4.24Å; Y429-M453 HydrophobicContact CE2-CG 4.3Å; A449-M453 VanDerWaalsContact O-CB 3.25Å; A449-M453 WeakPolarHBondContact O-CB 3.11Å; A449-M453 PolarHBondContact O-N 2.94Å; M453-N456 PolarHBondContact O-N 3.25Å; M453-L457 HydrophobicContact CG-CD1 4.23Å; M453-L457 WeakPolarHBondContact O-CB 3.35Å; M453-L457 WeakPolarHBondContact O-CD1 3.45Å; M453-L457 WeakPolarHBondContact O-CG 3.43Å; M453-L457 PolarHBondContact O-N 2.9Å
454	G	83.1	Confident	77.7	Confident	13 Å²	13	93.8 Å²	93.8	13%	0.134	45%	0.45	C	S	.	.	H	α-helix	trans	-67.4	-35.7	173.5	0	0	0	0	0	114.3	Y429 Y450 I451 E452 F458	Y429-G454 WeakPolarHBondContact OH-CA 3.48Å; Y450-G454 PolarHBondContact O-N 3.42Å; I451-G454 PolarHBondContact O-N 2.95Å; E452-G454 VanDerWaalsContact C-N 3.26Å; E452-G454 PolarHBondContact O-N 2.82Å; G454-F458 WeakPolarHBondContact O-CB 3.43Å; G454-F458 PolarHBondContact O-N 2.99Å
455	Q	80.1	Confident	77.7	Confident	105 Å²	105	90.8 Å²	90.8	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-66.8	-42.4	173.2	-72.9	174.9	4.3	0	0	111.1	I451 E452 F458 Q459	I451-Q455 WeakPolarHBondContact O-CG 3.37Å; I451-Q455 PolarHBondContact O-N 2.88Å; E452-Q455 WeakPolarHBondContact O-CB 3.28Å; E452-Q455 PolarHBondContact O-N 3.14Å; E452-Q455 VanDerWaalsContact O-N 3.09Å; Q455-F458 PolarHBondContact O-N 2.96Å; Q455-Q459 WeakPolarHBondContact O-CB 3.18Å; Q455-Q459 WeakPolarHBondContact O-CG 3.42Å; Q455-Q459 PolarHBondContact O-N 3.2Å
456	N	78.9	Confident	77.5	Confident	86 Å²	86	87.2 Å²	87.2	46%	0.46	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176.9	-70	-20.1	0	0	0	112.1	E452 M453 F458 Q459 D460	E452-N456 PolarHBondContact O-N 3.35Å; M453-N456 PolarHBondContact O-N 3.25Å; N456-F458 VanDerWaalsContact C-N 3.32Å; N456-F458 PolarHBondContact O-N 3.37Å; N456-Q459 PolarHBondContact O-N 3.3Å; N456-D460 WeakPolarHBondContact O-CB 3.41Å; N456-D460 PolarHBondContact O-N 2.86Å
457	L	80.7	Confident	77.1	Confident	56 Å²	56	90.6 Å²	90.6	29%	0.293	44%	0.435	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175	-80.4	157.2	0	0	0	112.4	P418 Y429 M453 M461	P418-L457 HydrophobicContact CG-CD1 3.83Å; P418-L457 HydrophobicContact CG-CD2 4.23Å; P418-L457 HydrophobicContact CG-CG 4.38Å; Y429-L457 HydrophobicContact CD1-CD1 3.46Å; Y429-L457 VanDerWaalsContact CD1-CD1 3.46Å; Y429-L457 HydrophobicContact CD2-CD1 3.98Å; Y429-L457 HydrophobicContact CE1-CD1 3.57Å; Y429-L457 HydrophobicContact CE2-CD1 4.1Å; Y429-L457 HydrophobicContact CG-CD1 3.71Å; M453-L457 HydrophobicContact CG-CD1 4.23Å; M453-L457 WeakPolarHBondContact O-CB 3.35Å; M453-L457 WeakPolarHBondContact O-CD1 3.45Å; M453-L457 WeakPolarHBondContact O-CG 3.43Å; M453-L457 PolarHBondContact O-N 2.9Å; L457-M461 WeakPolarHBondContact O-CB 3.43Å; L457-M461 WeakPolarHBondContact O-CG 3.34Å; L457-M461 PolarHBondContact O-N 3.31Å; L457-M461 VanDerWaalsContact O-N 3.1Å
458	F	76.5	Confident	76.8	Confident	113 Å²	113	89.9 Å²	89.9	50%	0.496	43%	0.434	S	S	.	.	H	α-helix	trans	-71.2	-38	177.7	-172.7	-92.4	0	0	0	111.7	G454 Q455 N456 F462 Y463	G454-F458 WeakPolarHBondContact O-CB 3.43Å; G454-F458 PolarHBondContact O-N 2.99Å; Q455-F458 PolarHBondContact O-N 2.96Å; N456-F458 VanDerWaalsContact C-N 3.32Å; N456-F458 PolarHBondContact O-N 3.37Å; F458-F462 HydrophobicContact CD1-CD2 4.31Å; F458-F462 AromaticContact CD2-CD2 3.4Å; F458-F462 HydrophobicContact CD2-CD2 3.4Å; F458-F462 VanDerWaalsContact CD2-CD2 3.4Å; F458-F462 AromaticContact CD2-CE2 3.52Å; F458-F462 HydrophobicContact CD2-CE2 3.52Å; F458-F462 HydrophobicContact CD2-CG 4.45Å; F458-F462 HydrophobicContact CE1-CB 4.4Å; F458-F462 HydrophobicContact CE1-CD2 4.27Å; F458-F462 AromaticContact CE2-CD2 3.35Å; F458-F462 HydrophobicContact CE2-CD2 3.35Å; F458-F462 AromaticContact CE2-CE2 3.41Å; F458-F462 HydrophobicContact CE2-CE2 3.41Å; F458-F462 VanDerWaalsContact CE2-CE2 3.41Å; F458-F462 HydrophobicContact CE2-CG 4.08Å; F458-F462 HydrophobicContact CE2-CZ 4.18Å; F458-F462 AromaticContact CG-CD2 3.9Å; F458-F462 HydrophobicContact CG-CD2 3.9Å; F458-F462 HydrophobicContact CG-CE2 4.42Å; F458-F462 HydrophobicContact CZ-CB 4.43Å; F458-F462 AromaticContact CZ-CD2 3.81Å; F458-F462 HydrophobicContact CZ-CD2 3.81Å; F458-F462 HydrophobicContact CZ-CE2 4.26Å; F458-F462 HydrophobicContact CZ-CG 4.12Å; F458-F462 WeakPolarHBondContact O-CB 3.26Å; F458-F462 WeakPolarHBondContact O-CD2 3.15Å; F458-F462 PolarHBondContact O-N 3.42Å; F458-F462 VanDerWaalsContact O-N 3.15Å; F458-Y463 HydrophobicContact CE1-CE2 4.14Å
459	Q	75.1	Confident	76.2	Confident	99 Å²	99	88.5 Å²	88.5	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-60.3	-55.1	171.1	-77.2	178.6	0.8	0	0	109.7	Q455 N456 M461 F462 Y463	Q455-Q459 WeakPolarHBondContact O-CB 3.18Å; Q455-Q459 WeakPolarHBondContact O-CG 3.42Å; Q455-Q459 PolarHBondContact O-N 3.2Å; N456-Q459 PolarHBondContact O-N 3.3Å; Q459-M461 VanDerWaalsContact C-N 3.27Å; Q459-M461 PolarHBondContact O-N 3.02Å; Q459-M461 VanDerWaalsContact O-N 3.16Å; Q459-F462 PolarHBondContact O-N 3.15Å; Q459-Y463 CarbonylContact O-C 3.45Å; Q459-Y463 WeakPolarHBondContact O-CA 3.48Å; Q459-Y463 PolarHBondContact O-N 2.96Å
460	D	74.4	Confident	75.7	Confident	97 Å²	97	91.4 Å²	91.4	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-32.5	-175.7	-168	46.6	0	0	0	114.4	N265 N456	N265-D460 PolarHBondContact ND2-O 3.12Å; N265-D460 PolarHBondContact ND2-OD1 3.01Å; N456-D460 WeakPolarHBondContact O-CB 3.41Å; N456-D460 PolarHBondContact O-N 2.86Å
461	M	68.9	Low	75.1	Confident	132 Å²	132	95.8 Å²	95.8	65%	0.65	45%	0.454	S	S	*	.	H	α-helix	trans	-84.4	-26.4	179.4	-74.6	-130.6	-65.2	0	0	114.9	L457 Q459	L457-M461 WeakPolarHBondContact O-CB 3.43Å; L457-M461 WeakPolarHBondContact O-CG 3.34Å; L457-M461 PolarHBondContact O-N 3.31Å; L457-M461 VanDerWaalsContact O-N 3.1Å; Q459-M461 VanDerWaalsContact C-N 3.27Å; Q459-M461 PolarHBondContact O-N 3.02Å; Q459-M461 VanDerWaalsContact O-N 3.16Å
462	F	58.8	Low	74.2	Confident	133 Å²	133	99.1 Å²	99.1	58%	0.583	47%	0.468	S	S	*	.	H	α-helix	trans	-118.6	-16.2	-170.4	-67.5	-80.6	0	0	0	114.5	F458 Q459	F458-F462 HydrophobicContact CD1-CD2 4.31Å; F458-F462 AromaticContact CD2-CD2 3.4Å; F458-F462 HydrophobicContact CD2-CD2 3.4Å; F458-F462 VanDerWaalsContact CD2-CD2 3.4Å; F458-F462 AromaticContact CD2-CE2 3.52Å; F458-F462 HydrophobicContact CD2-CE2 3.52Å; F458-F462 HydrophobicContact CD2-CG 4.45Å; F458-F462 HydrophobicContact CE1-CB 4.4Å; F458-F462 HydrophobicContact CE1-CD2 4.27Å; F458-F462 AromaticContact CE2-CD2 3.35Å; F458-F462 HydrophobicContact CE2-CD2 3.35Å; F458-F462 AromaticContact CE2-CE2 3.41Å; F458-F462 HydrophobicContact CE2-CE2 3.41Å; F458-F462 VanDerWaalsContact CE2-CE2 3.41Å; F458-F462 HydrophobicContact CE2-CG 4.08Å; F458-F462 HydrophobicContact CE2-CZ 4.18Å; F458-F462 AromaticContact CG-CD2 3.9Å; F458-F462 HydrophobicContact CG-CD2 3.9Å; F458-F462 HydrophobicContact CG-CE2 4.42Å; F458-F462 HydrophobicContact CZ-CB 4.43Å; F458-F462 AromaticContact CZ-CD2 3.81Å; F458-F462 HydrophobicContact CZ-CD2 3.81Å; F458-F462 HydrophobicContact CZ-CE2 4.26Å; F458-F462 HydrophobicContact CZ-CG 4.12Å; F458-F462 WeakPolarHBondContact O-CB 3.26Å; F458-F462 WeakPolarHBondContact O-CD2 3.15Å; F458-F462 PolarHBondContact O-N 3.42Å; F458-F462 VanDerWaalsContact O-N 3.15Å; Q459-F462 PolarHBondContact O-N 3.15Å
463	Y	47	Very low	73.3	Confident	199 Å²	199	99.4 Å²	99.4	78%	0.78	47%	0.469	S	S	*	.			trans	-131.8	0	-178	-69.9	-81.7	0	0	0	111	F458 Q459	F458-Y463 HydrophobicContact CE1-CE2 4.14Å; Q459-Y463 CarbonylContact O-C 3.45Å; Q459-Y463 WeakPolarHBondContact O-CA 3.48Å; Q459-Y463 PolarHBondContact O-N 2.96Å

Retrieved 463 of 463 residues in 232.5 ms (Link to these results)

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